#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iit s ARG 40 N 0.00 3.45 0.90 -2.82 0.52 -1.26 -5.01 118.95 114.72 2iit s ARG 40 Ca 0.00 1.71 -0.11 0.00 -0.52 0.00 0.00 55.73 56.81 2iit s ARG 40 Cb 0.00 -2.15 0.13 0.00 0.52 0.00 0.00 34.95 33.45 2iit s ARG 40 CO 0.00 -0.79 1.09 -1.59 0.02 0.00 0.00 175.30 174.03 2iit s LYS 41 N -3.07 1.21 0.50 3.54 -2.85 -1.20 -4.59 119.74 113.28 2iit s LYS 41 Ca 0.70 0.98 0.08 0.00 -1.00 0.00 0.00 55.97 56.73 2iit s LYS 41 Cb -0.27 -1.79 0.04 0.00 -2.06 0.00 0.00 37.83 33.75 2iit s LYS 41 CO 0.31 -2.32 0.57 0.95 0.10 0.00 0.00 175.35 174.96 2iit s THR 42 N -2.85 2.33 -0.56 3.79 -4.23 -1.26 -1.01 115.64 111.85 2iit s THR 42 Ca 0.64 -1.18 -0.25 0.00 -1.18 0.00 0.00 61.69 59.71 2iit s THR 42 Cb -0.19 -2.52 0.04 0.00 1.34 0.00 0.00 72.50 71.17 2iit s THR 42 CO 0.58 0.00 0.99 -0.47 -0.54 0.00 0.00 174.62 175.18 2iit s TYR 43 N -2.58 2.75 0.64 3.99 5.04 -1.26 -4.83 117.35 121.10 2iit s TYR 43 Ca 0.51 0.05 -0.01 0.00 -2.44 0.00 0.00 57.07 55.18 2iit s TYR 43 Cb -0.05 -4.17 0.07 0.00 0.35 0.00 0.00 41.96 38.16 2iit s TYR 43 CO 0.31 -1.41 0.90 0.95 -1.34 0.00 0.00 175.55 174.97 2iit s THR 44 N 4.16 2.40 0.13 4.34 -4.23 -1.26 -3.89 115.64 117.29 2iit s THR 44 Ca 0.32 -0.56 -0.16 0.00 -1.18 0.00 0.00 61.69 60.12 2iit s THR 44 Cb -0.12 -2.84 -0.01 0.00 1.34 0.00 0.00 72.50 70.87 2iit s THR 44 CO 0.20 0.00 1.68 0.25 -0.54 0.00 0.00 174.62 176.21 2iit h LEU 45 N -0.29 0.55 -0.80 4.79 5.85 -1.95 -2.59 115.31 120.88 2iit h LEU 45 Ca -0.41 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.20 2iit h LEU 45 Cb 1.29 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 2iit h LEU 45 CO 0.49 0.57 0.48 0.74 -0.34 0.00 0.00 178.44 180.39 2iit h THR 46 N 0.50 1.02 -0.50 1.05 2.02 -1.98 -0.25 112.91 114.77 2iit h THR 46 Ca 0.13 -0.30 0.07 0.00 0.77 0.00 0.00 66.41 67.08 2iit h THR 46 Cb 0.19 0.06 -0.06 0.00 -1.74 0.00 0.00 68.15 66.60 2iit h THR 46 CO -0.01 0.16 0.16 0.44 0.37 0.00 0.00 175.52 176.64 2iit h ASP 47 N 0.89 0.13 -0.12 4.18 3.45 -1.86 0.54 116.42 123.62 2iit h ASP 47 Ca 0.35 0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.87 2iit h ASP 47 Cb 0.17 0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.00 2iit h ASP 47 CO -0.17 0.10 0.03 0.22 -1.57 0.00 0.00 179.24 177.85 2iit h TYR 48 N 0.32 0.21 0.00 4.55 3.20 -0.96 -0.25 116.97 124.04 2iit h TYR 48 Ca 0.25 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 2iit h TYR 48 Cb 0.29 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 2iit h TYR 48 CO -0.18 0.35 -0.39 -0.07 -1.64 0.00 0.00 178.16 176.23 2iit h LEU 49 N 0.00 0.00 -0.61 2.82 3.38 -0.61 -3.12 115.31 117.17 2iit h LEU 49 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2iit h LEU 49 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2iit h LEU 49 CO 0.00 0.39 -0.67 0.29 0.09 0.00 0.00 178.44 178.54 2iit n LYS 50 N -3.75 0.74 -3.43 1.13 4.76 0.19 -4.99 118.16 112.80 2iit n LYS 50 Ca -0.01 -0.61 -0.17 0.00 -2.87 0.00 0.00 58.31 54.65 2iit n LYS 50 Cb 0.47 -1.49 0.08 0.00 -1.84 0.00 0.00 35.03 32.25 2iit n LYS 50 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2iit n ASN 51 N -0.60 -2.54 -0.07 4.39 3.02 -0.15 -4.91 115.26 114.41 2iit n ASN 51 Ca 0.07 -0.65 -0.15 0.00 -0.03 0.00 0.00 54.58 53.82 2iit n ASN 51 Cb 0.41 -5.05 -0.05 0.00 -0.61 0.00 0.00 39.78 34.48 2iit n ASN 51 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2iit h THR 52 N -1.80 1.28 -3.33 3.41 1.35 -1.73 -3.36 112.91 108.73 2iit h THR 52 Ca -0.59 -1.75 -0.75 0.00 -0.55 0.00 0.00 66.41 62.76 2iit h THR 52 Cb 1.34 1.73 -0.23 0.00 -1.73 0.00 0.00 68.15 69.25 2iit h THR 52 CO 0.50 0.57 0.31 -0.31 -0.25 0.00 0.00 175.52 176.33 2iit s TYR 53 N -4.05 3.52 0.04 4.73 2.02 -1.26 -5.02 117.35 117.32 2iit s TYR 53 Ca -0.11 -1.74 -0.28 0.00 -0.37 0.00 0.00 57.07 54.57 2iit s TYR 53 Cb 0.09 -3.97 -0.05 0.00 -0.40 0.00 0.00 41.96 37.64 2iit s TYR 53 CO 0.88 -1.16 0.88 0.50 -1.57 0.00 0.00 175.55 175.09 2iit s ARG 54 N 1.09 4.57 -0.20 -0.62 3.52 -1.26 -5.03 118.95 121.01 2iit s ARG 54 Ca 0.21 1.26 -0.20 0.00 -0.13 0.00 0.00 55.73 56.88 2iit s ARG 54 Cb -0.10 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 2iit s ARG 54 CO -0.08 0.13 0.59 -1.17 -0.81 0.00 0.00 175.30 173.96 2iit s LEU 55 N 0.39 4.14 0.17 -0.88 2.96 -1.26 -4.73 118.68 119.47 2iit s LEU 55 Ca 0.45 0.77 -0.11 0.00 -0.22 0.00 0.00 54.13 55.02 2iit s LEU 55 Cb -0.21 -2.82 -0.07 0.00 0.50 0.00 0.00 46.19 43.59 2iit s LEU 55 CO 0.26 -0.24 0.51 -0.54 -1.32 0.00 0.00 176.35 175.02 2iit s LYS 56 N 1.82 3.84 0.16 1.98 1.02 -1.26 -5.09 119.74 122.22 2iit s LYS 56 Ca 0.27 0.31 0.02 0.00 0.02 0.00 0.00 55.97 56.59 2iit s LYS 56 Cb -0.16 -2.81 -0.01 0.00 -0.52 0.00 0.00 37.83 34.34 2iit s LYS 56 CO 0.10 0.42 0.08 1.47 -0.92 0.00 0.00 175.35 176.50 2iit n LEU 57 N 0.36 0.00 -3.36 3.17 -0.00 -1.26 -4.90 117.00 111.01 2iit n LEU 57 Ca -0.03 -1.31 -0.22 0.00 -0.00 0.00 0.00 56.01 54.45 2iit n LEU 57 Cb 0.52 0.51 -0.09 0.00 -0.00 0.00 0.00 43.42 44.36 2iit n LEU 57 CO 0.44 -0.21 -0.22 -0.47 -0.00 0.00 0.00 177.39 176.93 2iit s TYR 58 N -2.29 0.20 -0.40 1.47 6.14 -1.26 -4.99 117.35 116.22 2iit s TYR 58 Ca 0.11 -1.34 -0.22 0.00 0.64 0.00 0.00 57.07 56.26 2iit s TYR 58 Cb 0.01 -0.61 0.01 0.00 0.42 0.00 0.00 41.96 41.79 2iit s TYR 58 CO 0.08 -0.92 0.70 -1.12 0.64 0.00 0.00 175.55 174.93 2iit s SER 59 N 1.03 6.43 0.30 4.32 0.01 -1.26 -5.04 113.70 119.48 2iit s SER 59 Ca 0.21 0.04 0.11 0.00 1.31 0.00 0.00 55.95 57.62 2iit s SER 59 Cb -0.13 -2.35 -0.05 0.00 0.21 0.00 0.00 66.02 63.69 2iit s SER 59 CO -0.05 -0.73 -0.13 -1.48 0.41 0.00 0.00 173.24 171.27 2iit s LEU 60 N 2.95 2.75 -0.18 2.44 0.05 -1.26 -4.52 118.68 120.90 2iit s LEU 60 Ca 0.27 -1.02 -0.01 0.00 0.05 0.00 0.00 54.13 53.42 2iit s LEU 60 Cb -0.14 -1.18 0.05 0.00 -2.05 0.00 0.00 46.19 42.87 2iit s LEU 60 CO 0.18 -0.06 -0.02 -0.13 -0.55 0.00 0.00 176.35 175.78 2iit s ARG 61 N -3.58 1.13 0.07 1.48 0.52 -0.47 -4.92 118.95 113.18 2iit s ARG 61 Ca 0.31 -0.53 -0.31 0.00 -0.52 0.00 0.00 55.73 54.68 2iit s ARG 61 Cb -0.03 -2.09 -0.07 0.00 0.52 0.00 0.00 34.95 33.28 2iit s ARG 61 CO 0.16 -0.53 1.48 -1.58 0.02 0.00 0.00 175.30 174.85 2iit s TRP 62 N 1.69 2.88 -0.83 -0.53 0.52 -1.26 -0.72 118.94 120.69 2iit s TRP 62 Ca -0.01 0.71 0.12 0.00 0.02 0.00 0.00 56.10 56.94 2iit s TRP 62 Cb -0.16 -3.78 -0.06 0.00 -1.15 0.00 0.00 33.47 28.32 2iit s TRP 62 CO -0.07 -2.90 0.60 0.44 0.02 0.00 0.00 176.95 175.03 2iit n ILE 63 N 4.39 0.00 -2.74 2.03 -5.35 -0.46 -4.91 119.36 112.32 2iit n ILE 63 Ca 0.13 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 2iit n ILE 63 Cb 0.42 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.39 2iit n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2iit n SER 64 N -0.72 0.00 0.00 7.28 3.41 -1.18 -4.98 113.62 117.43 2iit n SER 64 Ca 0.04 -0.58 0.15 0.00 -0.26 0.00 0.00 58.87 58.21 2iit n SER 64 Cb 0.22 0.00 0.82 0.00 -0.26 0.00 0.00 64.21 64.98 2iit n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2iit n ASP 65 N -0.49 0.00 -0.04 4.04 2.03 -1.26 -2.22 116.55 118.61 2iit n ASP 65 Ca 0.00 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.74 2iit n ASP 65 Cb 0.00 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 2iit n ASP 65 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2iit n HIS 66 N -1.13 0.00 -4.39 -0.67 1.44 -1.26 -4.37 115.22 104.84 2iit n HIS 66 Ca 0.19 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.69 2iit n HIS 66 Cb 0.16 0.12 -0.13 0.00 0.12 0.00 0.00 29.99 30.26 2iit n HIS 66 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2iit s GLU 67 N 0.00 1.01 0.06 -1.40 2.02 -1.26 -0.91 118.70 118.21 2iit s GLU 67 Ca 0.00 -0.82 -0.05 0.00 0.02 0.00 0.00 54.97 54.12 2iit s GLU 67 Cb 0.00 -1.05 -0.02 0.00 0.10 0.00 0.00 34.13 33.16 2iit s GLU 67 CO 0.00 0.26 0.07 1.52 0.02 0.00 0.00 175.26 177.13 2iit s TYR 68 N -0.88 0.30 -0.02 1.61 -0.85 -0.88 -1.36 117.35 115.27 2iit s TYR 68 Ca 0.02 -0.73 -0.02 0.00 -0.52 0.00 0.00 57.07 55.82 2iit s TYR 68 Cb -0.08 -0.21 -0.04 0.00 0.38 0.00 0.00 41.96 42.01 2iit s TYR 68 CO 0.02 -0.42 0.14 -0.51 -1.52 0.00 0.00 175.55 173.26 2iit s LEU 69 N -2.59 4.21 -0.08 -3.49 1.43 0.10 -0.24 118.68 118.02 2iit s LEU 69 Ca 0.02 0.29 -0.07 0.00 -1.03 0.00 0.00 54.13 53.34 2iit s LEU 69 Cb 0.04 -2.44 0.02 0.00 0.03 0.00 0.00 46.19 43.84 2iit s LEU 69 CO -0.08 0.28 0.21 -0.47 0.23 0.00 0.00 176.35 176.52 2iit s TYR 70 N -1.25 -0.23 -0.28 0.29 5.04 -0.08 -1.37 117.35 119.48 2iit s TYR 70 Ca 0.24 0.57 -0.15 0.00 -2.44 0.00 0.00 57.07 55.30 2iit s TYR 70 Cb -0.12 0.07 -0.03 0.00 0.35 0.00 0.00 41.96 42.23 2iit s TYR 70 CO 0.15 -0.12 0.39 0.15 -1.34 0.00 0.00 175.55 174.78 2iit s LYS 71 N 0.24 3.95 -0.20 4.97 1.02 -1.26 -0.67 119.74 127.80 2iit s LYS 71 Ca -0.01 0.00 -0.02 0.00 0.02 0.00 0.00 55.97 55.96 2iit s LYS 71 Cb -0.03 -3.68 0.06 0.00 -0.52 0.00 0.00 37.83 33.66 2iit s LYS 71 CO -0.01 -0.33 0.02 -1.14 -0.92 0.00 0.00 175.35 172.98 2iit s GLN 72 N 2.10 0.82 -0.88 1.68 0.74 0.02 -4.84 119.66 119.29 2iit s GLN 72 Ca 0.15 -0.49 -0.00 0.00 0.05 0.00 0.00 55.36 55.07 2iit s GLN 72 Cb -0.16 -2.15 -0.01 0.00 1.10 0.00 0.00 33.01 31.80 2iit s GLN 72 CO 0.10 -0.62 0.74 0.39 -0.55 0.00 0.00 175.29 175.35 2iit n GLU 73 N 4.99 -4.62 -0.93 1.67 -0.58 -1.26 -2.21 120.64 117.70 2iit n GLU 73 Ca -0.09 0.63 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 2iit n GLU 73 Cb 0.47 -4.98 0.00 0.00 -0.57 0.00 0.00 31.44 26.35 2iit n GLU 73 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2iit n ASN 74 N -2.61 -5.56 -4.68 1.62 5.03 -1.26 -4.84 115.26 102.97 2iit n ASN 74 Ca -0.20 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 54.90 2iit n ASN 74 Cb 0.62 -3.28 -0.09 0.00 -1.02 0.00 0.00 39.78 36.00 2iit n ASN 74 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 2iit s ASN 75 N -1.86 5.32 -0.41 6.41 0.01 -0.94 -4.03 114.94 119.44 2iit s ASN 75 Ca 0.00 0.14 -0.18 0.00 -0.71 0.00 0.00 52.86 52.11 2iit s ASN 75 Cb 0.00 -1.58 0.02 0.00 0.41 0.00 0.00 41.25 40.09 2iit s ASN 75 CO 0.00 0.35 0.49 -0.63 -1.51 0.00 0.00 177.10 175.80 2iit s ILE 76 N -0.69 5.02 0.07 0.60 1.01 -1.01 -0.80 121.20 125.40 2iit s ILE 76 Ca 0.11 -0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.64 2iit s ILE 76 Cb -0.12 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 2iit s ILE 76 CO 0.02 -0.43 0.08 -0.76 0.00 0.00 0.00 174.94 173.85 2iit s LEU 77 N 2.32 3.80 -0.13 2.97 1.43 0.16 0.18 118.68 129.41 2iit s LEU 77 Ca 0.15 0.00 -0.03 0.00 -1.03 0.00 0.00 54.13 53.22 2iit s LEU 77 Cb -0.16 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 2iit s LEU 77 CO 0.15 0.19 0.00 0.54 0.23 0.00 0.00 176.35 177.46 2iit s VAL 78 N -1.36 4.29 0.03 -1.59 0.11 -0.23 -0.90 120.40 120.74 2iit s VAL 78 Ca 0.28 -0.24 0.09 0.00 -2.93 0.00 0.00 61.98 59.19 2iit s VAL 78 Cb -0.12 -2.85 -0.03 0.00 -1.53 0.00 0.00 36.38 31.85 2iit s VAL 78 CO 0.21 0.54 -0.26 -0.36 -3.33 0.00 0.00 175.10 171.90 2iit s PHE 79 N -0.27 2.32 -0.43 1.54 0.08 0.66 -1.76 117.98 120.13 2iit s PHE 79 Ca 0.06 -0.42 -0.18 0.00 0.12 0.00 0.00 56.93 56.51 2iit s PHE 79 Cb -0.12 -1.43 0.02 0.00 -0.57 0.00 0.00 43.02 40.93 2iit s PHE 79 CO 0.02 0.07 0.47 1.21 -0.10 0.00 0.00 175.22 176.89 2iit s ASN 80 N -1.05 6.21 0.28 1.36 3.84 -0.44 -2.07 114.94 123.07 2iit s ASN 80 Ca 0.11 -0.66 0.02 0.00 0.21 0.00 0.00 52.86 52.54 2iit s ASN 80 Cb -0.10 -2.24 0.62 0.00 -0.55 0.00 0.00 41.25 38.99 2iit s ASN 80 CO 0.01 -0.62 1.75 0.00 -2.79 0.00 0.00 177.10 175.45 2iit h ALA 81 N 8.76 1.40 -0.48 1.71 0.00 -1.34 0.22 119.26 129.52 2iit h ALA 81 Ca -0.26 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2iit h ALA 81 Cb 1.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2iit h ALA 81 CO 0.82 -0.13 -0.02 1.49 0.00 0.00 0.00 179.25 181.40 2iit h GLU 82 N 0.61 0.82 -0.00 0.00 4.81 -1.93 -3.33 114.58 115.56 2iit h GLU 82 Ca 0.51 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2iit h GLU 82 Cb 0.80 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.09 2iit h GLU 82 CO -0.40 0.84 -0.15 0.66 -0.73 0.00 0.00 179.01 179.23 2iit n TYR 83 N -4.20 0.00 -0.76 0.92 4.02 -1.08 -5.00 117.16 111.07 2iit n TYR 83 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 2iit n TYR 83 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.64 2iit n TYR 83 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2iit n GLY 84 N 0.83 0.74 3.80 2.72 0.00 0.75 -4.98 105.19 109.05 2iit n GLY 84 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 2iit n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iit s ASN 85 N -2.69 6.88 0.00 1.61 4.22 -1.25 -4.78 114.94 118.93 2iit s ASN 85 Ca 0.00 1.82 0.00 0.00 -2.14 0.00 0.00 52.86 52.54 2iit s ASN 85 Cb 0.00 -2.56 0.00 0.00 1.28 0.00 0.00 41.25 39.97 2iit s ASN 85 CO 0.00 -0.40 0.00 -1.54 -2.04 0.00 0.00 177.10 173.12 2iit n SER 86 N -0.35 0.46 -3.73 3.54 3.41 -1.26 -1.33 113.62 114.35 2iit n SER 86 Ca 0.06 -0.95 -0.06 0.00 -0.26 0.00 0.00 58.87 57.66 2iit n SER 86 Cb 0.52 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 2iit n SER 86 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2iit s SER 87 N -0.89 -0.26 -0.16 4.04 0.01 -0.72 -4.99 113.70 110.72 2iit s SER 87 Ca 0.00 -0.40 -0.24 0.00 1.31 0.00 0.00 55.95 56.62 2iit s SER 87 Cb 0.00 0.57 -0.02 0.00 0.21 0.00 0.00 66.02 66.78 2iit s SER 87 CO 0.00 -1.04 0.79 -0.69 0.41 0.00 0.00 173.24 172.71 2iit s VAL 88 N -3.53 4.92 -0.15 3.43 1.01 -1.26 -1.07 120.40 123.74 2iit s VAL 88 Ca 0.10 1.55 0.01 0.00 0.00 0.00 0.00 61.98 63.63 2iit s VAL 88 Cb -0.03 -4.10 -0.23 0.00 0.00 0.00 0.00 36.38 32.02 2iit s VAL 88 CO 0.01 0.06 0.22 0.33 0.00 0.00 0.00 175.10 175.73 2iit n PHE 89 N 5.06 0.77 -3.29 5.22 -0.00 0.13 -4.86 117.46 120.49 2iit n PHE 89 Ca 0.03 0.19 -0.06 0.00 -0.00 0.00 0.00 57.45 57.61 2iit n PHE 89 Cb 0.49 -1.11 -0.05 0.00 -0.00 0.00 0.00 39.48 38.81 2iit n PHE 89 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 2iit s LEU 90 N -6.62 -0.89 0.43 -2.13 2.96 -0.76 -5.01 118.68 106.65 2iit s LEU 90 Ca -0.22 0.08 -0.25 0.00 -0.22 0.00 0.00 54.13 53.52 2iit s LEU 90 Cb 0.07 1.35 -0.10 0.00 0.50 0.00 0.00 46.19 48.02 2iit s LEU 90 CO 0.74 -0.32 1.20 1.21 -1.32 0.00 0.00 176.35 177.86 2iit n GLU 91 N 5.37 1.74 0.05 1.98 4.07 -1.26 -2.40 120.64 130.19 2iit n GLU 91 Ca -0.01 0.62 0.08 0.00 -0.06 0.00 0.00 57.16 57.79 2iit n GLU 91 Cb 0.50 -2.30 0.51 0.00 -0.06 0.00 0.00 31.44 30.10 2iit n GLU 91 CO 0.00 0.00 0.00 -2.95 -0.06 0.00 0.00 177.13 174.12 2iit h ASN 92 N 1.87 0.30 0.00 4.31 7.08 -1.89 -1.34 115.58 125.91 2iit h ASN 92 Ca -0.47 -0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.75 2iit h ASN 92 Cb 1.31 -0.07 0.00 0.00 -2.08 0.00 0.00 38.32 37.48 2iit h ASN 92 CO 0.59 0.20 0.00 -1.54 -2.08 0.00 0.00 177.43 174.60 2iit n SER 93 N -4.49 0.00 -0.05 6.14 3.41 -1.26 -3.70 113.62 113.67 2iit n SER 93 Ca 0.03 -1.07 -0.04 0.00 -0.26 0.00 0.00 58.87 57.53 2iit n SER 93 Cb 0.17 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.30 2iit n SER 93 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2iit h THR 94 N 0.00 1.25 -0.10 6.66 2.02 -1.60 -3.23 112.91 117.92 2iit h THR 94 Ca 0.00 -1.13 -0.05 0.00 0.77 0.00 0.00 66.41 66.00 2iit h THR 94 Cb 0.00 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 2iit h THR 94 CO 0.00 0.38 -0.35 0.49 0.37 0.00 0.00 175.52 176.41 2iit n PHE 95 N -4.17 0.31 -0.10 3.16 3.72 -1.24 -4.75 117.46 114.39 2iit n PHE 95 Ca 0.01 -1.49 -0.06 0.00 -0.05 0.00 0.00 57.45 55.86 2iit n PHE 95 Cb 0.36 -0.31 0.01 0.00 -0.94 0.00 0.00 39.48 38.60 2iit n PHE 95 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2iit h ASP 96 N 0.95 0.03 -1.24 4.37 5.19 -1.76 -2.51 116.42 121.46 2iit h ASP 96 Ca 0.06 0.05 -0.62 0.00 -0.62 0.00 0.00 57.03 55.90 2iit h ASP 96 Cb 1.18 0.06 -0.24 0.00 0.18 0.00 0.00 39.33 40.52 2iit h ASP 96 CO 0.11 0.06 0.78 1.21 -3.12 0.00 0.00 179.24 178.27 2iit n GLU 97 N -5.08 2.51 0.08 3.56 4.07 -1.26 -4.36 120.64 120.16 2iit n GLU 97 Ca 0.01 -2.91 0.03 0.00 -0.06 0.00 0.00 57.16 54.23 2iit n GLU 97 Cb 0.14 -2.15 -0.03 0.00 -0.06 0.00 0.00 31.44 29.34 2iit n GLU 97 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 2iit h PHE 98 N 2.41 0.00 -0.00 4.31 3.57 -1.81 -3.47 116.94 121.95 2iit h PHE 98 Ca 0.51 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 62.01 2iit h PHE 98 Cb 0.56 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 2iit h PHE 98 CO 1.26 0.44 -0.00 0.41 -2.23 0.00 0.00 178.31 178.19 2iit n GLY 99 N 1.30 0.43 3.29 2.40 0.00 -1.26 -4.99 105.19 106.36 2iit n GLY 99 Ca -0.05 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 2iit n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2iit s HIS 100 N -1.85 -0.35 -0.27 1.61 3.76 -1.26 -5.13 115.29 111.80 2iit s HIS 100 Ca 0.00 0.75 -0.28 0.00 -0.15 0.00 0.00 55.06 55.38 2iit s HIS 100 Cb 0.00 0.15 0.01 0.00 1.11 0.00 0.00 32.58 33.85 2iit s HIS 100 CO 0.00 -0.32 0.99 0.45 -0.85 0.00 0.00 174.74 175.01 2iit s SER 101 N -0.55 6.96 -0.32 1.40 0.15 -1.26 -5.00 113.70 115.09 2iit s SER 101 Ca -0.07 1.15 -0.29 0.00 0.70 0.00 0.00 55.95 57.44 2iit s SER 101 Cb -0.04 -2.51 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 2iit s SER 101 CO 0.03 -0.70 1.12 -0.63 1.20 0.00 0.00 173.24 174.26 2iit s ILE 102 N 3.25 4.43 0.03 6.45 1.01 -1.26 -4.41 121.20 130.71 2iit s ILE 102 Ca 0.42 1.64 0.13 0.00 0.00 0.00 0.00 60.65 62.84 2iit s ILE 102 Cb -0.14 -4.37 -0.01 0.00 0.01 0.00 0.00 42.46 37.95 2iit s ILE 102 CO 0.10 -0.48 1.47 -1.13 0.00 0.00 0.00 174.94 174.90 2iit h ASN 103 N 8.32 0.00 -5.16 3.58 -1.24 -0.75 -3.48 115.58 116.85 2iit h ASN 103 Ca -0.22 0.00 0.25 0.00 0.71 0.00 0.00 56.30 57.04 2iit h ASN 103 Cb 1.07 0.00 -0.13 0.00 0.73 0.00 0.00 38.32 39.99 2iit h ASN 103 CO 1.03 0.63 0.70 -0.62 -1.29 0.00 0.00 177.43 177.88 2iit s ASP 104 N -6.56 -0.14 0.16 1.15 -1.08 -1.16 -5.02 116.67 104.02 2iit s ASP 104 Ca 0.02 -0.15 -0.00 0.00 -0.52 0.00 0.00 52.55 51.90 2iit s ASP 104 Cb 0.09 0.26 -0.04 0.00 -1.46 0.00 0.00 42.92 41.77 2iit s ASP 104 CO 0.76 -0.47 0.06 -0.72 0.52 0.00 0.00 175.17 175.32 2iit s TYR 105 N -2.72 1.07 -0.25 -5.34 1.13 -1.26 -0.97 117.35 109.02 2iit s TYR 105 Ca 0.11 -1.19 -0.07 0.00 -1.41 0.00 0.00 57.07 54.51 2iit s TYR 105 Cb 0.01 -0.59 0.12 0.00 -1.10 0.00 0.00 41.96 40.40 2iit s TYR 105 CO -0.03 -0.43 0.51 0.45 -2.51 0.00 0.00 175.55 173.54 2iit s SER 106 N -3.13 -0.63 0.07 -0.18 0.15 0.27 -4.94 113.70 105.32 2iit s SER 106 Ca 0.28 1.11 -0.22 0.00 0.70 0.00 0.00 55.95 57.82 2iit s SER 106 Cb 0.07 1.74 -0.06 0.00 -1.71 0.00 0.00 66.02 66.06 2iit s SER 106 CO 0.05 -0.24 0.65 -0.63 1.20 0.00 0.00 173.24 174.27 2iit s ILE 107 N 2.73 4.70 0.58 6.45 1.09 -1.26 0.13 121.20 135.62 2iit s ILE 107 Ca 0.00 1.39 -0.19 0.00 -1.10 0.00 0.00 60.65 60.76 2iit s ILE 107 Cb -0.13 -3.99 -0.04 0.00 -1.06 0.00 0.00 42.46 37.24 2iit s ILE 107 CO -0.16 0.49 1.19 -0.94 -0.10 0.00 0.00 174.94 175.41 2iit s SER 108 N -0.74 5.32 0.56 3.58 1.04 -0.17 -4.87 113.70 118.42 2iit s SER 108 Ca 0.32 2.33 0.32 0.00 0.48 0.00 0.00 55.95 59.40 2iit s SER 108 Cb -0.20 -2.59 1.46 0.00 0.10 0.00 0.00 66.02 64.79 2iit s SER 108 CO 0.21 -1.50 1.82 -0.65 0.98 0.00 0.00 173.24 174.10 2iit h PRO 109 N 0.96 0.00 -0.48 4.02 0.11 -1.81 0.11 132.00 134.91 2iit h PRO 109 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2iit h PRO 109 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2iit h PRO 109 CO 0.56 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 2iit n ASP 110 N -3.98 2.90 0.00 -2.05 3.85 -1.10 -4.81 116.55 111.36 2iit n ASP 110 Ca 0.18 -1.96 0.00 0.00 -0.71 0.00 0.00 54.79 52.30 2iit n ASP 110 Cb 1.00 -0.31 0.00 0.00 -1.35 0.00 0.00 41.12 40.45 2iit n ASP 110 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2iit n GLY 111 N 1.38 0.39 0.16 6.12 0.00 0.36 -4.86 105.19 108.75 2iit n GLY 111 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.25 2iit n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2iit h GLN 112 N 1.17 0.00 -4.47 1.61 4.20 -1.92 -3.46 115.11 112.25 2iit h GLN 112 Ca 0.00 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 2iit h GLN 112 Cb 0.04 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.67 2iit h GLN 112 CO 0.00 0.42 -0.66 -0.06 -0.67 0.00 0.00 178.83 177.86 2iit s PHE 113 N -3.19 0.84 -0.02 2.96 0.08 -1.26 -2.16 117.98 115.23 2iit s PHE 113 Ca 0.03 -1.13 0.01 0.00 0.12 0.00 0.00 56.93 55.96 2iit s PHE 113 Cb 0.09 -0.50 0.01 0.00 -0.57 0.00 0.00 43.02 42.05 2iit s PHE 113 CO 0.72 -0.40 -0.03 -1.50 -0.10 0.00 0.00 175.22 173.90 2iit s ILE 114 N -3.91 0.34 -0.29 0.64 2.07 -0.69 -1.00 121.20 118.36 2iit s ILE 114 Ca 0.19 -0.10 -0.16 0.00 -1.41 0.00 0.00 60.65 59.18 2iit s ILE 114 Cb 0.07 -0.35 -0.03 0.00 0.13 0.00 0.00 42.46 42.28 2iit s ILE 114 CO -0.01 0.14 0.41 -0.22 -1.91 0.00 0.00 174.94 173.34 2iit s LEU 115 N 0.44 4.13 -0.25 8.50 2.96 0.35 -1.40 118.68 133.41 2iit s LEU 115 Ca -0.05 0.21 -0.10 0.00 -0.22 0.00 0.00 54.13 53.97 2iit s LEU 115 Cb -0.08 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 2iit s LEU 115 CO -0.01 -0.25 0.14 -0.76 -1.32 0.00 0.00 176.35 174.15 2iit s LEU 116 N 2.13 3.88 -0.21 -0.68 1.43 0.33 -0.56 118.68 125.00 2iit s LEU 116 Ca 0.16 -0.01 -0.08 0.00 -1.03 0.00 0.00 54.13 53.16 2iit s LEU 116 Cb -0.16 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 2iit s LEU 116 CO 0.11 0.01 0.08 -0.70 0.23 0.00 0.00 176.35 176.08 2iit s GLU 117 N 1.36 3.90 0.28 1.70 2.12 -0.14 -1.51 118.70 126.42 2iit s GLU 117 Ca 0.06 -0.37 -0.00 0.00 0.36 0.00 0.00 54.97 55.02 2iit s GLU 117 Cb -0.15 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 2iit s GLU 117 CO 0.06 0.12 0.30 1.52 -0.54 0.00 0.00 175.26 176.72 2iit s TYR 118 N 0.80 1.22 -1.06 5.30 1.13 -0.25 0.05 117.35 124.54 2iit s TYR 118 Ca 0.04 -1.37 -0.06 0.00 -1.41 0.00 0.00 57.07 54.28 2iit s TYR 118 Cb -0.13 -0.40 0.01 0.00 -1.10 0.00 0.00 41.96 40.33 2iit s TYR 118 CO 0.02 -0.88 0.92 0.09 -2.51 0.00 0.00 175.55 173.19 2iit n ASN 119 N -0.95 -4.83 -4.68 -0.18 3.02 -1.26 0.50 115.26 106.87 2iit n ASN 119 Ca 0.03 -0.44 -0.42 0.00 -0.03 0.00 0.00 54.58 53.71 2iit n ASN 119 Cb 0.63 -4.13 -0.03 0.00 -0.61 0.00 0.00 39.78 35.64 2iit n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2iit s TYR 120 N -3.26 2.30 -0.30 3.10 5.04 -1.26 -4.11 117.35 118.86 2iit s TYR 120 Ca 0.38 0.30 0.01 0.00 -2.44 0.00 0.00 57.07 55.31 2iit s TYR 120 Cb -0.17 -3.93 0.09 0.00 0.35 0.00 0.00 41.96 38.30 2iit s TYR 120 CO 0.58 -3.80 0.07 0.08 -1.34 0.00 0.00 175.55 171.14 2iit s VAL 121 N 3.05 1.30 0.52 3.14 1.01 0.56 -4.99 120.40 124.99 2iit s VAL 121 Ca 0.73 -1.59 -0.23 0.00 0.00 0.00 0.00 61.98 60.89 2iit s VAL 121 Cb -0.37 -1.92 -0.06 0.00 0.00 0.00 0.00 36.38 34.03 2iit s VAL 121 CO 0.31 -0.58 1.39 -0.75 0.00 0.00 0.00 175.10 175.48 2iit s LYS 122 N 1.42 3.26 0.00 2.72 2.20 -1.26 -0.88 119.74 127.19 2iit s LYS 122 Ca 0.08 2.32 0.00 0.00 -0.36 0.00 0.00 55.97 58.01 2iit s LYS 122 Cb -0.18 -2.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.78 2iit s LYS 122 CO -0.18 -1.12 0.00 0.94 -0.36 0.00 0.00 175.35 174.63 2iit n GLN 123 N -0.82 0.00 0.00 4.03 7.27 -0.41 -4.85 117.38 122.60 2iit n GLN 123 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.16 2iit n GLN 123 Cb 0.44 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.09 2iit n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 2iit n TRP 124 N 0.00 0.00 -0.02 3.69 5.03 -1.18 -4.94 117.44 120.02 2iit n TRP 124 Ca 0.00 0.00 -0.11 0.00 3.03 0.00 0.00 57.50 60.42 2iit n TRP 124 Cb 0.00 0.00 -0.05 0.00 -1.03 0.00 0.00 31.31 30.23 2iit n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 2iit h ARG 125 N 0.00 0.18 0.00 -0.99 2.43 -1.98 -3.36 114.38 110.66 2iit h ARG 125 Ca 0.00 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 2iit h ARG 125 Cb 0.00 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 2iit h ARG 125 CO 0.00 0.12 -1.66 0.72 -1.51 0.00 0.00 179.97 177.64 2iit n HIS 126 N -4.99 0.00 -2.18 2.20 8.25 -1.26 -5.04 115.22 112.20 2iit n HIS 126 Ca -0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.08 2iit n HIS 126 Cb 0.03 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 30.68 2iit n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2iit s SER 127 N -4.07 5.89 -0.16 0.41 1.04 -1.26 -4.68 113.70 110.86 2iit s SER 127 Ca -0.05 1.89 -0.34 0.00 0.48 0.00 0.00 55.95 57.93 2iit s SER 127 Cb 0.04 -2.55 0.13 0.00 0.10 0.00 0.00 66.02 63.74 2iit s SER 127 CO 0.42 -1.10 1.16 -0.72 0.98 0.00 0.00 173.24 173.98 2iit s TYR 128 N -2.27 -0.16 0.26 5.02 -0.85 -1.26 -1.29 117.35 116.80 2iit s TYR 128 Ca 0.65 0.10 0.11 0.00 -0.52 0.00 0.00 57.07 57.41 2iit s TYR 128 Cb -0.17 0.52 -0.05 0.00 0.38 0.00 0.00 41.96 42.64 2iit s TYR 128 CO 0.32 -0.26 -0.11 0.95 -1.52 0.00 0.00 175.55 174.93 2iit s THR 129 N -2.54 2.95 0.26 -3.49 -4.23 -0.06 -4.70 115.64 103.83 2iit s THR 129 Ca 0.09 -2.12 -0.20 0.00 -1.18 0.00 0.00 61.69 58.27 2iit s THR 129 Cb -0.01 -2.55 0.06 0.00 1.34 0.00 0.00 72.50 71.34 2iit s THR 129 CO -0.05 -0.36 0.90 0.00 -0.54 0.00 0.00 174.62 174.57 2iit s ALA 130 N -2.33 -1.26 0.17 3.99 0.00 -1.09 -0.32 121.76 120.91 2iit s ALA 130 Ca 0.30 -0.39 0.08 0.00 0.00 0.00 0.00 51.96 51.94 2iit s ALA 130 Cb -0.06 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 2iit s ALA 130 CO 0.17 -1.03 -0.02 -1.12 0.00 0.00 0.00 175.76 173.76 2iit s SER 131 N -3.14 4.69 0.01 0.00 0.01 0.18 -2.37 113.70 113.08 2iit s SER 131 Ca 0.16 -0.42 -0.01 0.00 1.31 0.00 0.00 55.95 56.99 2iit s SER 131 Cb -0.04 -0.97 -0.01 0.00 0.21 0.00 0.00 66.02 65.21 2iit s SER 131 CO 0.07 0.09 -0.00 -0.31 0.41 0.00 0.00 173.24 173.50 2iit s TYR 132 N -1.72 0.17 0.04 2.43 1.51 -1.26 -1.10 117.35 117.43 2iit s TYR 132 Ca 0.27 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 56.00 2iit s TYR 132 Cb -0.09 -0.13 -0.02 0.00 -0.11 0.00 0.00 41.96 41.60 2iit s TYR 132 CO 0.18 -0.16 -0.08 -0.51 -1.11 0.00 0.00 175.55 173.87 2iit s ASP 133 N -1.11 0.92 -0.11 2.29 1.01 -0.57 -4.39 116.67 114.72 2iit s ASP 133 Ca -0.12 -0.56 0.01 0.00 0.71 0.00 0.00 52.55 52.59 2iit s ASP 133 Cb -0.07 0.03 -0.02 0.00 1.01 0.00 0.00 42.92 43.87 2iit s ASP 133 CO -0.01 -0.19 -0.13 -0.63 0.21 0.00 0.00 175.17 174.42 2iit s ILE 134 N -1.38 3.06 -0.14 0.77 1.01 -1.26 -0.51 121.20 122.75 2iit s ILE 134 Ca -0.09 -0.68 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 2iit s ILE 134 Cb -0.10 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 2iit s ILE 134 CO 0.01 0.54 -0.04 -0.47 0.00 0.00 0.00 174.94 174.98 2iit s TYR 135 N 0.02 3.03 -0.58 3.97 5.04 -0.49 -0.98 117.35 127.35 2iit s TYR 135 Ca -0.04 -0.23 -0.23 0.00 -2.44 0.00 0.00 57.07 54.13 2iit s TYR 135 Cb -0.14 -1.92 0.05 0.00 0.35 0.00 0.00 41.96 40.30 2iit s TYR 135 CO 0.04 0.04 0.90 0.34 -1.34 0.00 0.00 175.55 175.53 2iit s ASP 136 N 0.14 6.27 0.21 4.32 -1.08 0.63 -1.70 116.67 125.45 2iit s ASP 136 Ca -0.01 -0.65 -0.09 0.00 -0.52 0.00 0.00 52.55 51.28 2iit s ASP 136 Cb -0.14 -2.41 0.24 0.00 -1.46 0.00 0.00 42.92 39.16 2iit s ASP 136 CO 0.03 -1.24 1.82 -0.07 0.52 0.00 0.00 175.17 176.23 2iit h LEU 137 N 10.89 0.62 0.04 -1.34 3.38 -1.72 0.54 115.31 127.72 2iit h LEU 137 Ca -0.27 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2iit h LEU 137 Cb 1.08 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2iit h LEU 137 CO 1.10 0.41 -0.02 0.78 0.09 0.00 0.00 178.44 180.80 2iit h ASN 138 N 0.76 -0.04 0.39 -0.43 2.35 -1.89 -3.13 115.58 113.58 2iit h ASN 138 Ca 0.31 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2iit h ASN 138 Cb 0.15 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2iit h ASN 138 CO -0.17 0.44 0.00 0.29 -1.65 0.00 0.00 177.43 176.34 2iit n LYS 139 N -4.89 0.57 -1.81 0.81 5.02 -1.19 -4.90 118.16 111.77 2iit n LYS 139 Ca -0.08 0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.12 2iit n LYS 139 Cb 0.25 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.74 2iit n LYS 139 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2iit n ARG 140 N -1.20 -1.76 -4.21 1.97 1.74 0.19 -4.94 116.66 108.44 2iit n ARG 140 Ca 0.16 0.49 -0.30 0.00 -0.77 0.00 0.00 57.85 57.44 2iit n ARG 140 Cb 0.20 -4.85 -0.09 0.00 -1.02 0.00 0.00 32.46 26.70 2iit n ARG 140 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2iit s GLN 141 N -3.80 2.35 0.01 5.56 -0.21 -1.14 -4.92 119.66 117.51 2iit s GLN 141 Ca 0.00 -0.91 -0.22 0.00 0.02 0.00 0.00 55.36 54.24 2iit s GLN 141 Cb 0.00 -2.42 -0.05 0.00 1.00 0.00 0.00 33.01 31.53 2iit s GLN 141 CO 0.00 0.53 0.66 -1.17 -2.12 0.00 0.00 175.29 173.19 2iit s LEU 142 N -2.16 4.43 0.09 2.90 2.96 -1.26 -0.27 118.68 125.36 2iit s LEU 142 Ca 0.23 1.27 -0.30 0.00 -0.22 0.00 0.00 54.13 55.11 2iit s LEU 142 Cb -0.11 -3.04 -0.06 0.00 0.50 0.00 0.00 46.19 43.48 2iit s LEU 142 CO 0.15 0.06 1.10 -0.63 -1.32 0.00 0.00 176.35 175.71 2iit s ILE 143 N -0.12 4.21 0.00 6.68 1.01 -0.15 -4.93 121.20 127.91 2iit s ILE 143 Ca 0.34 1.70 0.00 0.00 0.00 0.00 0.00 60.65 62.69 2iit s ILE 143 Cb -0.19 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.19 2iit s ILE 143 CO 0.19 0.19 0.64 0.35 0.00 0.00 0.00 174.94 176.32 2iit n THR 144 N 3.33 0.31 -4.21 2.92 -2.24 -1.26 -4.63 114.28 108.49 2iit n THR 144 Ca 0.06 -0.64 -0.31 0.00 -2.27 0.00 0.00 64.05 60.89 2iit n THR 144 Cb 0.48 0.87 -0.09 0.00 -2.10 0.00 0.00 70.33 69.49 2iit n THR 144 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2iit s GLU 145 N -0.31 2.52 -1.41 -0.78 8.01 -1.26 -4.65 118.70 120.82 2iit s GLU 145 Ca 0.00 -0.82 -0.03 0.00 0.01 0.00 0.00 54.97 54.13 2iit s GLU 145 Cb 0.00 -2.52 0.00 0.00 -4.31 0.00 0.00 34.13 27.30 2iit s GLU 145 CO 0.00 0.56 0.36 0.39 0.01 0.00 0.00 175.26 176.58 2iit n GLU 146 N 0.84 -2.51 -1.61 1.61 -0.58 -1.26 -4.68 120.64 112.45 2iit n GLU 146 Ca -0.12 0.33 -0.32 0.00 -0.42 0.00 0.00 57.16 56.62 2iit n GLU 146 Cb 0.52 -4.21 0.06 0.00 -0.57 0.00 0.00 31.44 27.24 2iit n GLU 146 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2iit s ARG 147 N -6.73 2.64 0.21 3.49 0.52 -1.26 -4.81 118.95 113.02 2iit s ARG 147 Ca 0.05 1.32 -0.30 0.00 -0.52 0.00 0.00 55.73 56.28 2iit s ARG 147 Cb -0.02 -1.94 -0.09 0.00 0.52 0.00 0.00 34.95 33.42 2iit s ARG 147 CO 0.91 -1.36 1.34 0.42 0.02 0.00 0.00 175.30 176.63 2iit s ILE 148 N -2.52 3.07 0.93 1.52 1.01 -1.26 -4.97 121.20 118.98 2iit s ILE 148 Ca 0.65 0.89 -0.10 0.00 0.00 0.00 0.00 60.65 62.09 2iit s ILE 148 Cb -0.19 -3.57 0.15 0.00 0.01 0.00 0.00 42.46 38.86 2iit s ILE 148 CO 0.46 0.14 1.10 -2.65 0.00 0.00 0.00 174.94 173.99 2iit n PRO 149 N 2.52 -0.52 -2.81 2.79 -0.02 -1.26 -4.65 135.00 131.05 2iit n PRO 149 Ca 0.06 -0.09 -0.32 0.00 -2.02 0.00 0.00 63.50 61.13 2iit n PRO 149 Cb 0.42 -2.34 -0.05 0.00 -0.02 0.00 0.00 33.50 31.51 2iit n PRO 149 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2iit s ASN 150 N -2.59 6.72 -0.61 2.55 0.01 -1.26 -3.88 114.94 115.87 2iit s ASN 150 Ca 0.66 1.42 -0.02 0.00 -0.71 0.00 0.00 52.86 54.22 2iit s ASN 150 Cb -0.23 -2.44 0.00 0.00 0.41 0.00 0.00 41.25 38.99 2iit s ASN 150 CO 0.59 -0.38 0.27 0.59 -1.51 0.00 0.00 177.10 176.66 2iit n ASN 151 N -0.95 -3.42 -4.72 -1.22 3.02 -1.20 -4.99 115.26 101.78 2iit n ASN 151 Ca 0.05 -0.13 -0.41 0.00 -0.03 0.00 0.00 54.58 54.06 2iit n ASN 151 Cb 0.54 -2.29 -0.04 0.00 -0.61 0.00 0.00 39.78 37.38 2iit n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2iit s THR 152 N -2.83 4.59 0.09 3.41 2.01 -1.00 -4.59 115.64 117.33 2iit s THR 152 Ca 0.14 2.06 0.08 0.00 0.31 0.00 0.00 61.69 64.27 2iit s THR 152 Cb -0.06 -4.32 -0.18 0.00 0.01 0.00 0.00 72.50 67.95 2iit s THR 152 CO 0.17 0.28 1.29 1.56 -0.69 0.00 0.00 174.62 177.23 2iit h GLN 153 N 5.84 0.00 -1.65 4.92 4.20 -1.09 -2.90 115.11 124.43 2iit h GLN 153 Ca -0.42 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.33 2iit h GLN 153 Cb 1.21 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 28.75 2iit h GLN 153 CO 0.72 0.95 0.44 -0.46 -0.67 0.00 0.00 178.83 179.81 2iit s TRP 154 N -2.73 -0.48 -0.11 2.96 -0.11 -1.17 -4.65 118.94 112.65 2iit s TRP 154 Ca 0.01 1.05 -0.11 0.00 1.22 0.00 0.00 56.10 58.27 2iit s TRP 154 Cb 0.10 0.39 0.03 0.00 -1.50 0.00 0.00 33.47 32.48 2iit s TRP 154 CO 0.81 -0.31 0.31 0.54 -4.62 0.00 0.00 176.95 173.69 2iit s VAL 155 N -0.29 0.01 -0.10 5.86 0.11 -1.26 0.27 120.40 124.99 2iit s VAL 155 Ca 0.00 -0.04 -0.12 0.00 -2.93 0.00 0.00 61.98 58.89 2iit s VAL 155 Cb -0.03 -0.45 0.03 0.00 -1.53 0.00 0.00 36.38 34.40 2iit s VAL 155 CO -0.02 -0.02 0.32 0.28 -3.33 0.00 0.00 175.10 172.32 2iit s THR 156 N 0.03 0.01 0.68 5.04 -1.32 -0.34 -5.01 115.64 114.74 2iit s THR 156 Ca -0.01 -0.08 -0.11 0.00 -1.21 0.00 0.00 61.69 60.27 2iit s THR 156 Cb -0.02 -0.48 0.00 0.00 -1.51 0.00 0.00 72.50 70.49 2iit s THR 156 CO 0.01 -0.04 1.06 0.26 -2.21 0.00 0.00 174.62 173.69 2iit s TRP 157 N -0.07 3.12 0.83 9.09 0.52 -1.26 -1.85 118.94 129.31 2iit s TRP 157 Ca -0.02 1.43 -0.11 0.00 0.02 0.00 0.00 56.10 57.41 2iit s TRP 157 Cb -0.03 -2.89 0.09 0.00 -1.15 0.00 0.00 33.47 29.49 2iit s TRP 157 CO 0.01 -1.19 1.09 -1.54 0.02 0.00 0.00 176.95 175.34 2iit s SER 158 N -3.69 4.16 0.54 2.95 1.04 0.15 -4.88 113.70 113.97 2iit s SER 158 Ca 0.59 1.46 0.30 0.00 0.48 0.00 0.00 55.95 58.78 2iit s SER 158 Cb -0.14 -2.18 1.51 0.00 0.10 0.00 0.00 66.02 65.30 2iit s SER 158 CO 0.53 -2.20 2.07 1.55 0.98 0.00 0.00 173.24 176.17 2iit h PRO 159 N -1.25 0.00 -4.90 4.02 0.13 -1.83 -3.43 132.00 124.75 2iit h PRO 159 Ca -0.47 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.32 2iit h PRO 159 Cb 1.27 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.18 2iit h PRO 159 CO 0.56 0.10 -0.75 0.08 -0.23 0.00 0.00 178.00 177.75 2iit s VAL 160 N -4.05 0.78 0.00 1.56 1.01 -1.26 -4.77 120.40 113.67 2iit s VAL 160 Ca -0.02 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 60.81 2iit s VAL 160 Cb 0.12 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.70 2iit s VAL 160 CO 0.56 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.97 2iit n GLY 161 N 1.43 0.78 1.21 4.51 0.00 -1.26 -4.36 105.19 107.50 2iit n GLY 161 Ca -0.22 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2iit n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2iit n HIS 162 N 12.32 0.00 -1.57 1.61 1.44 -1.26 -2.71 115.22 125.05 2iit n HIS 162 Ca 0.00 -0.42 -0.33 0.00 -2.01 0.00 0.00 57.72 54.96 2iit n HIS 162 Cb 0.00 0.06 0.07 0.00 0.12 0.00 0.00 29.99 30.24 2iit n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2iit s LYS 163 N 0.00 2.49 0.01 -1.40 1.02 -1.26 -4.62 119.74 115.98 2iit s LYS 163 Ca 0.20 1.46 0.03 0.00 0.02 0.00 0.00 55.97 57.67 2iit s LYS 163 Cb 0.22 -1.91 -0.01 0.00 -0.52 0.00 0.00 37.83 35.62 2iit s LYS 163 CO -0.10 -1.50 -0.08 -0.51 -0.92 0.00 0.00 175.35 172.24 2iit s LEU 164 N -5.13 2.06 -0.03 3.17 1.43 -0.19 -0.68 118.68 119.31 2iit s LEU 164 Ca 0.68 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.57 2iit s LEU 164 Cb -0.22 -0.39 0.01 0.00 0.03 0.00 0.00 46.19 45.62 2iit s LEU 164 CO 0.45 0.05 -0.07 0.00 0.23 0.00 0.00 176.35 177.00 2iit s ALA 165 N -0.41 0.73 0.10 4.21 0.00 -0.77 -0.21 121.76 125.41 2iit s ALA 165 Ca 0.01 -0.24 -0.08 0.00 0.00 0.00 0.00 51.96 51.64 2iit s ALA 165 Cb -0.04 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.77 2iit s ALA 165 CO -0.00 0.10 0.19 1.52 0.00 0.00 0.00 175.76 177.57 2iit s TYR 166 N 0.30 0.19 -0.12 0.00 1.13 0.05 -1.20 117.35 117.69 2iit s TYR 166 Ca -0.04 -0.62 0.01 0.00 -1.41 0.00 0.00 57.07 55.01 2iit s TYR 166 Cb -0.09 -0.07 -0.01 0.00 -1.10 0.00 0.00 41.96 40.69 2iit s TYR 166 CO 0.00 -0.56 -0.17 0.08 -2.51 0.00 0.00 175.55 172.39 2iit s VAL 167 N -3.88 2.64 -0.04 -3.49 1.01 0.14 -0.56 120.40 116.23 2iit s VAL 167 Ca 0.06 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 2iit s VAL 167 Cb 0.05 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.38 2iit s VAL 167 CO -0.10 0.53 0.07 0.86 0.00 0.00 0.00 175.10 176.46 2iit s TRP 168 N 0.44 -0.02 -1.46 5.22 -0.00 -0.46 -0.53 118.94 122.12 2iit s TRP 168 Ca -0.13 0.26 -0.08 0.00 -0.00 0.00 0.00 56.10 56.15 2iit s TRP 168 Cb -0.16 -0.26 0.04 0.00 -0.00 0.00 0.00 33.47 33.08 2iit s TRP 168 CO 0.06 -0.14 0.76 0.09 -0.00 0.00 0.00 176.95 177.72 2iit n ASN 169 N 4.49 -5.41 -0.13 5.86 5.03 -1.26 -1.79 115.26 122.05 2iit n ASN 169 Ca -0.21 -0.45 -0.02 0.00 0.87 0.00 0.00 54.58 54.77 2iit n ASN 169 Cb 0.50 -4.35 -0.01 0.00 -1.02 0.00 0.00 39.78 34.90 2iit n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2iit n ASN 170 N -2.62 -4.38 -4.38 6.41 4.13 -1.26 -4.40 115.26 108.76 2iit n ASN 170 Ca -0.04 0.04 -0.30 0.00 1.68 0.00 0.00 54.58 55.97 2iit n ASN 170 Cb 0.57 -2.03 -0.14 0.00 -1.54 0.00 0.00 39.78 36.65 2iit n ASN 170 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2iit s ASP 171 N -2.15 3.29 0.03 6.41 -0.00 -0.74 -2.24 116.67 121.26 2iit s ASP 171 Ca 0.00 -0.67 -0.17 0.00 -0.00 0.00 0.00 52.55 51.72 2iit s ASP 171 Cb 0.00 -0.27 -0.06 0.00 -0.00 0.00 0.00 42.92 42.59 2iit s ASP 171 CO 0.00 0.22 0.47 -0.63 -0.00 0.00 0.00 175.17 175.23 2iit s ILE 172 N -0.95 4.92 0.04 0.77 1.01 -1.26 -1.36 121.20 124.37 2iit s ILE 172 Ca 0.13 0.99 0.03 0.00 0.00 0.00 0.00 60.65 61.80 2iit s ILE 172 Cb -0.10 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 2iit s ILE 172 CO 0.04 0.56 -0.10 -0.31 0.00 0.00 0.00 174.94 175.14 2iit s TYR 173 N -1.05 0.86 -0.03 3.97 1.51 0.28 -0.22 117.35 122.68 2iit s TYR 173 Ca 0.26 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.98 2iit s TYR 173 Cb -0.18 -0.51 -0.01 0.00 -0.11 0.00 0.00 41.96 41.15 2iit s TYR 173 CO 0.15 -0.02 -0.17 0.08 -1.11 0.00 0.00 175.55 174.49 2iit s VAL 174 N -1.02 1.36 -0.15 0.71 1.01 -0.07 -0.77 120.40 121.47 2iit s VAL 174 Ca -0.04 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.24 2iit s VAL 174 Cb -0.08 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.16 2iit s VAL 174 CO 0.01 0.39 -0.18 -0.54 0.00 0.00 0.00 175.10 174.78 2iit s LYS 175 N -0.18 2.69 0.18 2.72 1.02 0.71 -0.41 119.74 126.46 2iit s LYS 175 Ca 0.02 -0.72 0.02 0.00 0.02 0.00 0.00 55.97 55.31 2iit s LYS 175 Cb -0.09 -2.29 0.06 0.00 -0.52 0.00 0.00 37.83 34.99 2iit s LYS 175 CO 0.01 -0.14 1.43 0.82 -0.92 0.00 0.00 175.35 176.54 2iit h ILE 176 N 5.94 1.45 -3.72 2.17 1.08 -1.84 -0.49 117.51 122.10 2iit h ILE 176 Ca -0.38 -2.40 -0.33 0.00 -0.39 0.00 0.00 64.86 61.36 2iit h ILE 176 Cb 1.16 2.31 -0.31 0.00 -3.07 0.00 0.00 36.82 36.91 2iit h ILE 176 CO 0.56 0.70 -0.75 -1.61 -0.69 0.00 0.00 178.15 176.36 2iit s GLU 177 N -3.39 0.41 0.37 2.37 0.41 -1.26 -4.34 118.70 113.28 2iit s GLU 177 Ca -0.04 -0.09 0.19 0.00 -0.41 0.00 0.00 54.97 54.62 2iit s GLU 177 Cb 0.11 -0.45 1.16 0.00 -1.78 0.00 0.00 34.13 33.16 2iit s GLU 177 CO 0.82 0.01 1.68 -1.35 -0.49 0.00 0.00 175.26 175.93 2iit h PRO 178 N 6.52 0.29 -0.02 0.39 0.11 -1.86 -1.07 132.00 136.36 2iit h PRO 178 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2iit h PRO 178 Cb 1.17 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2iit h PRO 178 CO 0.49 0.19 -0.05 0.27 -0.21 0.00 0.00 178.00 178.70 2iit n ASN 179 N -4.88 2.37 -4.96 -2.05 6.94 -1.26 -4.83 115.26 106.60 2iit n ASN 179 Ca 0.31 -1.76 -0.22 0.00 -0.02 0.00 0.00 54.58 52.90 2iit n ASN 179 Cb 1.05 0.04 0.01 0.00 -2.36 0.00 0.00 39.78 38.52 2iit n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2iit s LEU 180 N -2.06 3.74 0.60 -4.53 1.43 -0.41 -4.50 118.68 112.96 2iit s LEU 180 Ca 0.30 0.15 -0.19 0.00 -1.03 0.00 0.00 54.13 53.36 2iit s LEU 180 Cb 0.20 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.35 2iit s LEU 180 CO 0.34 -0.62 1.22 -2.84 0.23 0.00 0.00 176.35 174.68 2iit s PRO 181 N -4.44 2.95 0.57 1.29 0.02 -1.26 -4.85 135.00 129.27 2iit s PRO 181 Ca 0.47 1.86 -0.15 0.00 0.02 0.00 0.00 61.00 63.20 2iit s PRO 181 Cb -0.10 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.44 2iit s PRO 181 CO 0.36 -1.23 1.02 -1.12 -0.33 0.00 0.00 177.00 175.69 2iit s SER 182 N -1.56 6.22 -0.17 2.53 0.01 -1.26 -4.72 113.70 114.75 2iit s SER 182 Ca 0.78 1.60 -0.03 0.00 1.31 0.00 0.00 55.95 59.60 2iit s SER 182 Cb -0.31 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.39 2iit s SER 182 CO 0.34 -0.87 -0.04 -0.31 0.41 0.00 0.00 173.24 172.77 2iit s TYR 183 N -2.74 2.99 -0.04 2.43 2.02 0.46 -4.93 117.35 117.53 2iit s TYR 183 Ca 0.59 -0.47 -0.26 0.00 -0.37 0.00 0.00 57.07 56.57 2iit s TYR 183 Cb -0.12 -1.99 -0.03 0.00 -0.40 0.00 0.00 41.96 39.42 2iit s TYR 183 CO 0.40 -0.17 0.80 0.50 -1.57 0.00 0.00 175.55 175.51 2iit s ARG 184 N 0.64 4.48 -0.14 -0.62 3.52 -1.26 -0.89 118.95 124.68 2iit s ARG 184 Ca -0.03 1.07 0.08 0.00 -0.13 0.00 0.00 55.73 56.73 2iit s ARG 184 Cb -0.15 -3.45 -0.23 0.00 -1.56 0.00 0.00 34.95 29.56 2iit s ARG 184 CO 0.02 0.03 0.28 -0.89 -0.81 0.00 0.00 175.30 173.93 2iit n ILE 185 N 3.80 1.56 -4.18 4.11 2.08 0.70 -4.90 119.36 122.52 2iit n ILE 185 Ca 0.01 -0.75 -0.15 0.00 0.56 0.00 0.00 62.75 62.43 2iit n ILE 185 Cb 0.51 -1.08 -0.11 0.00 -0.75 0.00 0.00 39.64 38.22 2iit n ILE 185 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2iit s THR 186 N -2.55 0.98 0.00 1.39 -4.23 -1.24 -4.92 115.64 105.09 2iit s THR 186 Ca -0.15 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 2iit s THR 186 Cb 0.07 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.52 2iit s THR 186 CO 0.78 -0.55 0.44 0.79 -0.54 0.00 0.00 174.62 175.54 2iit n TRP 187 N 0.53 0.00 0.80 3.99 8.01 -1.26 -4.57 117.44 124.95 2iit n TRP 187 Ca -0.16 -0.09 0.12 0.00 -1.31 0.00 0.00 57.50 56.06 2iit n TRP 187 Cb 0.58 -0.01 0.14 0.00 -2.01 0.00 0.00 31.31 30.01 2iit n TRP 187 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 2iit n THR 188 N -0.09 0.12 -1.51 -0.99 -2.24 -1.26 -4.98 114.28 103.32 2iit n THR 188 Ca 0.00 -0.12 -0.51 0.00 -2.27 0.00 0.00 64.05 61.15 2iit n THR 188 Cb 0.20 0.22 -0.05 0.00 -2.10 0.00 0.00 70.33 68.61 2iit n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2iit n GLY 189 N 1.43 -0.51 3.37 3.38 0.00 -1.26 -4.68 105.19 106.92 2iit n GLY 189 Ca 0.04 0.54 -0.08 0.00 0.00 0.00 0.00 46.02 46.52 2iit n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2iit s LYS 190 N -0.48 0.42 -0.28 1.61 2.20 -0.62 -4.91 119.74 117.68 2iit s LYS 190 Ca 0.75 1.07 -0.42 0.00 -0.36 0.00 0.00 55.97 57.01 2iit s LYS 190 Cb -0.98 0.32 -0.18 0.00 -1.51 0.00 0.00 37.83 35.49 2iit s LYS 190 CO 0.55 -0.21 1.59 -1.91 -0.36 0.00 0.00 175.35 175.01 2iit n GLU 191 N 5.03 0.68 -1.04 4.03 2.13 -1.26 0.09 120.64 130.31 2iit n GLU 191 Ca -0.14 0.25 -0.01 0.00 0.66 0.00 0.00 57.16 57.92 2iit n GLU 191 Cb 0.52 -1.85 -0.01 0.00 0.27 0.00 0.00 31.44 30.37 2iit n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2iit n ASP 192 N 4.26 -5.47 0.05 4.31 8.00 -1.26 -4.75 116.55 121.67 2iit n ASP 192 Ca 0.26 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.80 2iit n ASP 192 Cb 0.07 -3.09 0.00 0.00 -0.02 0.00 0.00 41.12 38.08 2iit n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2iit n ILE 193 N -2.19 0.58 -4.43 0.53 2.08 0.11 -4.73 119.36 111.30 2iit n ILE 193 Ca -0.01 0.19 -0.33 0.00 0.56 0.00 0.00 62.75 63.15 2iit n ILE 193 Cb 0.43 -1.10 -0.15 0.00 -0.75 0.00 0.00 39.64 38.07 2iit n ILE 193 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2iit s ILE 194 N -1.63 2.75 -0.27 1.39 -1.09 -0.32 -0.16 121.20 121.89 2iit s ILE 194 Ca 0.00 -0.73 -0.02 0.00 -2.23 0.00 0.00 60.65 57.66 2iit s ILE 194 Cb 0.00 -2.18 0.03 0.00 -1.58 0.00 0.00 42.46 38.73 2iit s ILE 194 CO 0.00 0.51 -0.03 -0.31 -1.23 0.00 0.00 174.94 173.88 2iit s TYR 195 N 0.89 3.12 -0.24 3.97 1.51 0.01 -1.59 117.35 125.02 2iit s TYR 195 Ca -0.03 -1.54 -0.06 0.00 -1.01 0.00 0.00 57.07 54.42 2iit s TYR 195 Cb -0.15 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.58 2iit s TYR 195 CO -0.01 -0.72 0.04 -0.80 -1.11 0.00 0.00 175.55 172.95 2iit s ASN 196 N 1.33 4.98 0.00 2.29 0.01 -0.95 -1.23 114.94 121.37 2iit s ASN 196 Ca -0.01 -0.23 0.00 0.00 -0.71 0.00 0.00 52.86 51.92 2iit s ASN 196 Cb -0.17 -1.88 0.00 0.00 0.41 0.00 0.00 41.25 39.60 2iit s ASN 196 CO -0.03 -0.02 0.00 0.61 -1.51 0.00 0.00 177.10 176.16 2iit n GLY 197 N 4.79 1.82 3.10 0.66 0.00 -0.67 -4.38 105.19 110.51 2iit n GLY 197 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 2iit n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2iit s ILE 198 N -3.55 0.42 0.49 -0.61 -4.36 -1.26 -0.04 121.20 112.29 2iit s ILE 198 Ca 0.00 -1.58 -0.04 0.00 -0.26 0.00 0.00 60.65 58.77 2iit s ILE 198 Cb 0.00 -1.21 -0.02 0.00 1.25 0.00 0.00 42.46 42.48 2iit s ILE 198 CO 0.00 -0.77 0.77 0.42 0.24 0.00 0.00 174.94 175.61 2iit s THR 199 N -2.97 4.53 0.74 8.37 -4.23 0.66 -4.72 115.64 118.02 2iit s THR 199 Ca 0.02 -0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.52 2iit s THR 199 Cb 0.01 -3.72 0.14 0.00 1.34 0.00 0.00 72.50 70.26 2iit s THR 199 CO -0.05 -0.67 1.02 1.51 -0.54 0.00 0.00 174.62 175.89 2iit s ASP 200 N -4.16 4.24 0.18 3.99 -4.77 -1.26 -4.78 116.67 110.11 2iit s ASP 200 Ca 0.48 -0.38 -0.16 0.00 -3.30 0.00 0.00 52.55 49.18 2iit s ASP 200 Cb -0.10 0.05 0.13 0.00 -1.09 0.00 0.00 42.92 41.90 2iit s ASP 200 CO 0.43 -1.94 1.65 -0.25 0.70 0.00 0.00 175.17 175.77 2iit h TRP 201 N -0.60 -0.27 -0.26 2.11 7.01 -2.00 -1.02 115.95 120.93 2iit h TRP 201 Ca -0.36 0.04 -0.17 0.00 2.11 0.00 0.00 58.89 60.52 2iit h TRP 201 Cb 1.26 0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 28.51 2iit h TRP 201 CO -0.27 -0.21 -0.51 -0.24 -2.79 0.00 0.00 178.44 174.43 2iit h VAL 202 N -0.01 1.30 -0.44 2.65 3.04 -1.94 -2.15 116.25 118.68 2iit h VAL 202 Ca 0.22 -1.71 -0.10 0.00 -1.01 0.00 0.00 66.70 64.09 2iit h VAL 202 Cb 0.35 1.64 -0.02 0.00 -2.01 0.00 0.00 31.29 31.25 2iit h VAL 202 CO -0.47 0.55 -0.13 1.88 -1.01 0.00 0.00 177.57 178.38 2iit h TYR 203 N 0.56 0.90 0.06 3.17 -1.99 -1.88 0.59 116.97 118.38 2iit h TYR 203 Ca 0.02 -0.17 -0.00 0.00 2.00 0.00 0.00 58.73 60.57 2iit h TYR 203 Cb 1.07 -0.23 0.00 0.00 2.00 0.00 0.00 36.73 39.58 2iit h TYR 203 CO 0.06 0.89 -0.03 1.49 -0.00 0.00 0.00 178.16 180.57 2iit h GLU 204 N 0.73 -0.08 -0.01 4.88 4.81 -1.12 0.47 114.58 124.25 2iit h GLU 204 Ca 0.12 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2iit h GLU 204 Cb 0.63 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.03 2iit h GLU 204 CO 0.04 0.07 -0.05 1.49 -0.73 0.00 0.00 179.01 179.84 2iit h GLU 205 N -0.22 0.05 0.00 1.92 4.57 -1.33 -1.67 114.58 117.91 2iit h GLU 205 Ca -0.01 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2iit h GLU 205 Cb 0.19 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 2iit h GLU 205 CO 0.01 0.67 -1.80 0.39 -1.18 0.00 0.00 179.01 177.11 2iit n GLU 206 N -4.73 0.56 -0.01 1.92 -0.58 0.19 -4.56 120.64 113.43 2iit n GLU 206 Ca -0.09 -0.16 -0.04 0.00 -0.42 0.00 0.00 57.16 56.46 2iit n GLU 206 Cb 0.34 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.70 2iit n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2iit n VAL 207 N -2.11 1.25 1.02 2.62 0.31 -0.87 -4.85 118.33 115.70 2iit n VAL 207 Ca -0.03 0.28 0.11 0.00 -0.01 0.00 0.00 64.34 64.70 2iit n VAL 207 Cb 0.51 -1.87 0.15 0.00 -0.91 0.00 0.00 33.84 31.72 2iit n VAL 207 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2iit n PHE 208 N -3.82 0.00 -3.65 3.52 3.72 0.10 -4.95 117.46 112.39 2iit n PHE 208 Ca -0.06 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.07 2iit n PHE 208 Cb 0.21 -0.16 -0.01 0.00 -0.94 0.00 0.00 39.48 38.58 2iit n PHE 208 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2iit n SER 209 N -1.39 -3.63 -3.61 4.37 7.64 -0.64 -4.89 113.62 111.47 2iit n SER 209 Ca 0.06 -0.59 -0.09 0.00 1.01 0.00 0.00 58.87 59.26 2iit n SER 209 Cb 0.34 -2.99 -0.02 0.00 -1.01 0.00 0.00 64.21 60.53 2iit n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2iit s ALA 210 N -3.04 -1.51 -0.11 -0.43 0.00 -1.14 -4.93 121.76 110.59 2iit s ALA 210 Ca 0.52 0.26 0.06 0.00 0.00 0.00 0.00 51.96 52.80 2iit s ALA 210 Cb -0.28 0.79 -0.24 0.00 0.00 0.00 0.00 23.12 23.40 2iit s ALA 210 CO 0.64 -0.88 0.39 0.98 0.00 0.00 0.00 175.76 176.89 2iit n TYR 211 N -0.40 0.84 -2.49 0.00 9.36 -1.26 -4.25 117.16 118.96 2iit n TYR 211 Ca -0.11 0.24 -0.37 0.00 3.32 0.00 0.00 57.90 60.99 2iit n TYR 211 Cb 0.62 -1.13 -0.04 0.00 -0.63 0.00 0.00 39.34 38.16 2iit n TYR 211 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 2iit s SER 212 N -6.36 6.77 -0.35 2.98 1.04 -1.26 -0.25 113.70 116.27 2iit s SER 212 Ca -0.14 2.12 0.15 0.00 0.48 0.00 0.00 55.95 58.55 2iit s SER 212 Cb 0.07 -2.60 0.44 0.00 0.10 0.00 0.00 66.02 64.04 2iit s SER 212 CO 0.78 -0.49 0.96 0.00 0.98 0.00 0.00 173.24 175.47 2iit n ALA 213 N 0.10 3.61 -3.07 5.32 0.00 0.94 -4.65 120.51 122.76 2iit n ALA 213 Ca 0.04 -3.42 -0.11 0.00 0.00 0.00 0.00 53.44 49.95 2iit n ALA 213 Cb 0.48 -0.86 -0.11 0.00 0.00 0.00 0.00 19.45 18.97 2iit n ALA 213 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2iit s LEU 214 N -3.14 1.68 -0.17 0.00 0.05 -1.25 -1.67 118.68 114.19 2iit s LEU 214 Ca 0.33 -0.19 -0.04 0.00 0.05 0.00 0.00 54.13 54.27 2iit s LEU 214 Cb 0.43 0.52 0.06 0.00 -2.05 0.00 0.00 46.19 45.15 2iit s LEU 214 CO -0.02 -0.31 0.07 0.26 -0.55 0.00 0.00 176.35 175.81 2iit s TRP 215 N -1.17 0.43 0.36 3.48 0.51 0.12 -4.97 118.94 117.70 2iit s TRP 215 Ca -0.13 -0.42 -0.26 0.00 -2.12 0.00 0.00 56.10 53.17 2iit s TRP 215 Cb -0.07 -0.77 -0.09 0.00 -0.81 0.00 0.00 33.47 31.73 2iit s TRP 215 CO 0.01 -0.51 1.13 -1.58 -0.51 0.00 0.00 176.95 175.49 2iit s TRP 216 N 2.06 3.25 0.75 -1.98 0.52 -1.26 -1.31 118.94 120.97 2iit s TRP 216 Ca 0.01 1.60 -0.11 0.00 0.02 0.00 0.00 56.10 57.63 2iit s TRP 216 Cb -0.16 -3.32 0.04 0.00 -1.15 0.00 0.00 33.47 28.88 2iit s TRP 216 CO -0.08 -1.00 1.08 -1.54 0.02 0.00 0.00 176.95 175.43 2iit s SER 217 N -1.12 4.89 0.28 2.95 1.04 -0.46 -4.89 113.70 116.38 2iit s SER 217 Ca 0.53 1.48 -0.03 0.00 0.48 0.00 0.00 55.95 58.41 2iit s SER 217 Cb -0.30 -2.27 0.59 0.00 0.10 0.00 0.00 66.02 64.14 2iit s SER 217 CO 0.38 -1.74 1.58 -0.65 0.98 0.00 0.00 173.24 173.79 2iit h PRO 218 N -0.93 0.03 -0.69 4.02 0.11 -1.91 0.18 132.00 132.81 2iit h PRO 218 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2iit h PRO 218 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2iit h PRO 218 CO 0.58 0.02 0.00 0.27 -0.21 0.00 0.00 178.00 178.65 2iit n ASN 219 N -5.49 4.26 0.00 -2.05 0.23 -1.26 -4.42 115.26 106.52 2iit n ASN 219 Ca 0.19 -2.18 0.00 0.00 -0.53 0.00 0.00 54.58 52.05 2iit n ASN 219 Cb 0.61 -0.52 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 2iit n ASN 219 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2iit n GLY 220 N 1.40 0.63 0.09 4.83 0.00 0.05 -4.71 105.19 107.47 2iit n GLY 220 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 2iit n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2iit h THR 221 N 0.00 1.09 -2.74 2.61 2.02 -1.93 -3.45 112.91 110.50 2iit h THR 221 Ca 0.00 -0.59 -0.57 0.00 0.77 0.00 0.00 66.41 66.02 2iit h THR 221 Cb 0.06 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 2iit h THR 221 CO 0.00 0.15 -0.46 -0.36 0.37 0.00 0.00 175.52 175.22 2iit s PHE 222 N -5.10 3.50 -0.16 3.16 0.08 -1.26 -1.10 117.98 117.10 2iit s PHE 222 Ca -0.15 0.21 -0.01 0.00 0.12 0.00 0.00 56.93 57.11 2iit s PHE 222 Cb 0.03 -1.74 0.04 0.00 -0.57 0.00 0.00 43.02 40.79 2iit s PHE 222 CO 0.64 0.52 -0.05 -1.17 -0.10 0.00 0.00 175.22 175.07 2iit s LEU 223 N -2.96 1.50 0.11 -0.37 2.96 0.11 -1.36 118.68 118.68 2iit s LEU 223 Ca 0.35 -0.61 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 2iit s LEU 223 Cb -0.12 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 2iit s LEU 223 CO 0.28 -0.19 0.21 0.00 -1.32 0.00 0.00 176.35 175.34 2iit s ALA 224 N 1.67 3.87 0.18 5.97 0.00 -0.42 -1.14 121.76 131.89 2iit s ALA 224 Ca 0.01 -1.00 -0.23 0.00 0.00 0.00 0.00 51.96 50.75 2iit s ALA 224 Cb -0.15 -1.69 0.06 0.00 0.00 0.00 0.00 23.12 21.34 2iit s ALA 224 CO -0.08 0.65 0.64 1.52 0.00 0.00 0.00 175.76 178.49 2iit s TYR 225 N -1.63 -0.46 0.16 0.00 1.13 -0.33 0.16 117.35 116.38 2iit s TYR 225 Ca 0.33 0.20 0.06 0.00 -1.41 0.00 0.00 57.07 56.25 2iit s TYR 225 Cb -0.12 0.59 -0.04 0.00 -1.10 0.00 0.00 41.96 41.29 2iit s TYR 225 CO 0.27 -0.92 0.08 0.00 -2.51 0.00 0.00 175.55 172.47 2iit s ALA 226 N -3.76 3.44 -0.06 9.51 0.00 -0.67 -1.43 121.76 128.78 2iit s ALA 226 Ca 0.03 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.77 2iit s ALA 226 Cb -0.02 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.88 2iit s ALA 226 CO -0.09 0.53 -0.09 -1.14 0.00 0.00 0.00 175.76 174.97 2iit s GLN 227 N -2.95 1.40 -0.08 0.00 0.74 0.50 -1.67 119.66 117.60 2iit s GLN 227 Ca 0.29 -0.30 0.02 0.00 0.05 0.00 0.00 55.36 55.43 2iit s GLN 227 Cb -0.10 -1.24 -0.02 0.00 1.10 0.00 0.00 33.01 32.75 2iit s GLN 227 CO 0.21 -0.04 -0.14 -0.06 -0.55 0.00 0.00 175.29 174.71 2iit s PHE 228 N 0.86 2.74 -0.27 1.67 0.08 -0.36 -0.92 117.98 121.77 2iit s PHE 228 Ca -0.11 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.52 2iit s PHE 228 Cb -0.15 -1.72 0.04 0.00 -0.57 0.00 0.00 43.02 40.61 2iit s PHE 228 CO 0.01 -0.00 -0.03 1.21 -0.10 0.00 0.00 175.22 176.31 2iit s ASN 229 N -0.24 4.63 -0.18 1.36 3.84 -0.14 -0.81 114.94 123.40 2iit s ASN 229 Ca 0.01 -1.05 0.16 0.00 0.21 0.00 0.00 52.86 52.19 2iit s ASN 229 Cb -0.13 -1.70 0.58 0.00 -0.55 0.00 0.00 41.25 39.45 2iit s ASN 229 CO 0.03 -0.19 1.48 0.47 -2.79 0.00 0.00 177.10 176.10 2iit n ASP 230 N 4.66 4.21 -0.30 -4.21 9.92 0.77 -1.81 116.55 129.79 2iit n ASP 230 Ca -0.15 -2.94 0.04 0.00 -0.53 0.00 0.00 54.79 51.21 2iit n ASP 230 Cb 0.45 -0.56 0.11 0.00 -0.64 0.00 0.00 41.12 40.49 2iit n ASP 230 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2iit h THR 231 N 2.28 0.16 -0.71 -3.53 2.02 -1.85 -1.32 112.91 109.96 2iit h THR 231 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2iit h THR 231 Cb 1.51 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2iit h THR 231 CO 0.26 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.53 2iit n GLU 232 N -5.53 3.00 -2.65 6.66 1.02 -1.26 -4.95 120.64 116.93 2iit n GLU 232 Ca 0.13 -2.69 -0.42 0.00 -0.02 0.00 0.00 57.16 54.15 2iit n GLU 232 Cb 0.44 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 2iit n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2iit s VAL 233 N -1.27 4.69 0.71 2.62 1.01 -0.50 -4.72 120.40 122.94 2iit s VAL 233 Ca 0.49 1.95 -0.16 0.00 0.00 0.00 0.00 61.98 64.27 2iit s VAL 233 Cb 0.28 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 32.43 2iit s VAL 233 CO 0.31 0.04 1.23 -2.84 0.00 0.00 0.00 175.10 173.84 2iit s PRO 234 N 1.80 2.25 -0.13 2.72 0.02 -1.26 -4.69 135.00 135.69 2iit s PRO 234 Ca 0.51 1.85 -0.06 0.00 0.02 0.00 0.00 61.00 63.32 2iit s PRO 234 Cb -0.20 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 2iit s PRO 234 CO 0.21 -1.78 0.08 -0.51 -0.33 0.00 0.00 177.00 174.67 2iit s LEU 235 N -4.92 4.00 0.06 -5.54 1.43 -1.26 -1.16 118.68 111.29 2iit s LEU 235 Ca 0.77 0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 53.96 2iit s LEU 235 Cb -0.32 -1.97 -0.06 0.00 0.03 0.00 0.00 46.19 43.87 2iit s LEU 235 CO 0.43 0.32 0.50 -0.51 0.23 0.00 0.00 176.35 177.33 2iit s ILE 236 N -0.52 4.87 -0.04 -0.59 1.10 -0.50 -4.90 121.20 120.61 2iit s ILE 236 Ca 0.11 0.98 0.02 0.00 -0.51 0.00 0.00 60.65 61.25 2iit s ILE 236 Cb -0.12 -3.79 0.01 0.00 0.15 0.00 0.00 42.46 38.71 2iit s ILE 236 CO 0.02 0.49 -0.09 -1.61 -2.11 0.00 0.00 174.94 171.64 2iit s GLU 237 N -1.30 1.15 0.12 3.50 2.02 -1.26 -2.10 118.70 120.83 2iit s GLU 237 Ca 0.29 -0.29 -0.14 0.00 0.02 0.00 0.00 54.97 54.85 2iit s GLU 237 Cb -0.17 -1.03 0.03 0.00 0.10 0.00 0.00 34.13 33.05 2iit s GLU 237 CO 0.17 0.04 0.36 1.52 0.02 0.00 0.00 175.26 177.37 2iit s TYR 238 N 0.50 -0.12 0.23 1.61 1.13 -0.88 -4.98 117.35 114.84 2iit s TYR 238 Ca -0.09 -0.23 -0.20 0.00 -1.41 0.00 0.00 57.07 55.15 2iit s TYR 238 Cb -0.12 0.19 -0.08 0.00 -1.10 0.00 0.00 41.96 40.85 2iit s TYR 238 CO 0.01 -0.68 0.73 -1.12 -2.51 0.00 0.00 175.55 171.99 2iit s SER 239 N -2.82 7.07 -0.14 -0.18 0.01 -1.26 0.02 113.70 116.40 2iit s SER 239 Ca 0.04 1.44 0.00 0.00 1.31 0.00 0.00 55.95 58.74 2iit s SER 239 Cb 0.02 -2.43 0.02 0.00 0.21 0.00 0.00 66.02 63.85 2iit s SER 239 CO -0.11 0.03 -0.13 0.12 0.41 0.00 0.00 173.24 173.55 2iit s PHE 240 N -1.53 2.07 0.03 2.43 5.36 0.99 -4.69 117.98 122.64 2iit s PHE 240 Ca 0.43 -1.15 0.07 0.00 -0.96 0.00 0.00 56.93 55.32 2iit s PHE 240 Cb -0.17 -1.54 -0.23 0.00 -0.34 0.00 0.00 43.02 40.74 2iit s PHE 240 CO 0.21 -0.65 0.94 1.88 -1.46 0.00 0.00 175.22 176.14 2iit h TYR 241 N 8.07 0.10 -0.94 10.12 -1.99 -1.96 -1.06 116.97 129.31 2iit h TYR 241 Ca -0.37 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.29 2iit h TYR 241 Cb 1.13 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.86 2iit h TYR 241 CO 0.47 1.09 0.00 0.45 -0.00 0.00 0.00 178.16 180.17 2iit n SER 242 N -3.25 -2.83 -4.74 3.88 2.88 -1.26 -4.72 113.62 103.57 2iit n SER 242 Ca -0.10 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.08 2iit n SER 242 Cb 1.01 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.52 2iit n SER 242 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2iit s ASP 243 N -4.00 4.77 0.57 -3.46 -1.08 -1.26 -4.86 116.67 107.35 2iit s ASP 243 Ca 0.00 2.48 0.33 0.00 -0.52 0.00 0.00 52.55 54.84 2iit s ASP 243 Cb 0.00 -2.61 1.45 0.00 -1.46 0.00 0.00 42.92 40.30 2iit s ASP 243 CO 0.00 -1.88 1.77 -0.08 0.52 0.00 0.00 175.17 175.50 2iit h GLU 244 N 0.54 0.00 0.00 4.34 4.81 -2.05 -0.81 114.58 121.41 2iit h GLU 244 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2iit h GLU 244 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2iit h GLU 244 CO 0.53 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 179.47 2iit h SER 245 N 0.00 0.00 -3.17 1.04 4.64 -1.93 -3.42 113.55 110.71 2iit h SER 245 Ca 0.44 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.19 2iit h SER 245 Cb 1.99 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 64.02 2iit h SER 245 CO -0.00 0.00 0.91 -0.22 -0.87 0.00 0.00 176.83 176.65 2iit s LEU 246 N -5.18 3.95 0.07 5.97 2.96 -0.31 -4.92 118.68 121.22 2iit s LEU 246 Ca 0.03 1.23 -0.17 0.00 -0.22 0.00 0.00 54.13 55.00 2iit s LEU 246 Cb 0.09 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 43.12 2iit s LEU 246 CO 0.45 -0.96 1.35 -0.61 -1.32 0.00 0.00 176.35 175.27 2iit h GLN 247 N 8.68 0.58 -5.25 1.98 4.15 -1.89 -3.43 115.11 119.93 2iit h GLN 247 Ca -0.24 -0.35 -0.64 0.00 0.77 0.00 0.00 58.65 58.19 2iit h GLN 247 Cb 1.08 0.03 -0.23 0.00 0.21 0.00 0.00 27.48 28.58 2iit h GLN 247 CO 1.02 0.96 -0.68 0.71 -1.93 0.00 0.00 178.83 178.91 2iit s TYR 248 N -4.15 3.00 0.69 3.99 2.02 -1.26 -5.09 117.35 116.55 2iit s TYR 248 Ca -0.13 -0.40 -0.17 0.00 -0.37 0.00 0.00 57.07 56.01 2iit s TYR 248 Cb 0.07 -1.98 0.01 0.00 -0.40 0.00 0.00 41.96 39.67 2iit s TYR 248 CO 0.81 -0.12 1.27 -2.14 -1.57 0.00 0.00 175.55 173.80 2iit s PRO 249 N 0.54 2.33 0.08 -1.71 0.02 -1.26 -4.99 135.00 130.01 2iit s PRO 249 Ca -0.03 1.97 -0.08 0.00 0.02 0.00 0.00 61.00 62.88 2iit s PRO 249 Cb -0.14 -1.83 -0.06 0.00 0.02 0.00 0.00 34.50 32.49 2iit s PRO 249 CO 0.03 -1.74 0.37 0.21 -0.33 0.00 0.00 177.00 175.53 2iit s LYS 250 N -3.59 3.68 -0.34 5.54 2.20 -0.40 -4.92 119.74 121.91 2iit s LYS 250 Ca 0.80 0.05 -0.09 0.00 -0.36 0.00 0.00 55.97 56.37 2iit s LYS 250 Cb -0.35 -2.97 0.02 0.00 -1.51 0.00 0.00 37.83 33.02 2iit s LYS 250 CO 0.42 0.55 0.15 0.99 -0.36 0.00 0.00 175.35 177.11 2iit s THR 251 N -1.45 4.31 -0.05 3.43 2.01 -1.26 -0.01 115.64 122.62 2iit s THR 251 Ca 0.34 -0.80 -0.29 0.00 0.31 0.00 0.00 61.69 61.26 2iit s THR 251 Cb -0.13 -3.34 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 2iit s THR 251 CO 0.19 -0.11 0.94 -0.69 -0.69 0.00 0.00 174.62 174.26 2iit s VAL 252 N 1.53 4.87 -0.16 3.82 1.01 0.10 -4.89 120.40 126.68 2iit s VAL 252 Ca 0.02 1.94 0.00 0.00 0.00 0.00 0.00 61.98 63.95 2iit s VAL 252 Cb -0.18 -4.27 0.03 0.00 0.00 0.00 0.00 36.38 31.96 2iit s VAL 252 CO 0.05 0.12 -0.13 -0.13 0.00 0.00 0.00 175.10 175.02 2iit s ARG 253 N 1.31 2.19 -0.03 2.72 0.52 -1.26 -2.07 118.95 122.32 2iit s ARG 253 Ca 0.48 -0.64 0.01 0.00 -0.52 0.00 0.00 55.73 55.06 2iit s ARG 253 Cb -0.20 -2.20 0.02 0.00 0.52 0.00 0.00 34.95 33.10 2iit s ARG 253 CO 0.23 -0.30 -0.04 0.54 0.02 0.00 0.00 175.30 175.75 2iit s VAL 254 N 1.46 0.46 0.10 3.52 0.11 -0.89 -4.97 120.40 120.18 2iit s VAL 254 Ca 0.03 -0.10 -0.31 0.00 -2.93 0.00 0.00 61.98 58.67 2iit s VAL 254 Cb -0.14 -0.48 -0.10 0.00 -1.53 0.00 0.00 36.38 34.13 2iit s VAL 254 CO -0.10 0.19 1.88 -2.84 -3.33 0.00 0.00 175.10 170.91 2iit s PRO 255 N 0.76 4.14 -0.24 1.54 0.02 -1.26 -1.41 135.00 138.54 2iit s PRO 255 Ca -0.10 2.61 -0.03 0.00 0.02 0.00 0.00 61.00 63.50 2iit s PRO 255 Cb -0.13 -3.78 0.13 0.00 0.02 0.00 0.00 34.50 30.74 2iit s PRO 255 CO -0.00 -0.88 0.41 -0.47 -0.33 0.00 0.00 177.00 175.73 2iit s TYR 256 N 3.32 -0.92 -0.46 6.54 6.14 -0.31 -4.50 117.35 127.16 2iit s TYR 256 Ca 0.84 1.07 -0.27 0.00 0.64 0.00 0.00 57.07 59.35 2iit s TYR 256 Cb -0.45 0.14 0.03 0.00 0.42 0.00 0.00 41.96 42.10 2iit s TYR 256 CO 0.38 -0.70 1.00 -1.25 0.64 0.00 0.00 175.55 175.62 2iit s PRO 257 N 2.60 3.63 0.89 4.97 0.04 -1.26 -4.55 135.00 141.31 2iit s PRO 257 Ca 0.11 0.34 -0.13 0.00 0.04 0.00 0.00 61.00 61.37 2iit s PRO 257 Cb -0.15 -3.91 0.13 0.00 0.04 0.00 0.00 34.50 30.61 2iit s PRO 257 CO -0.16 -1.25 1.18 0.15 0.04 0.00 0.00 177.00 176.96 2iit s LYS 258 N 3.96 1.33 0.05 4.56 1.02 -1.26 -0.15 119.74 129.25 2iit s LYS 258 Ca 0.41 0.11 -0.36 0.00 0.02 0.00 0.00 55.97 56.15 2iit s LYS 258 Cb -0.09 -1.88 -0.15 0.00 -0.52 0.00 0.00 37.83 35.19 2iit s LYS 258 CO 0.27 -2.03 1.51 0.00 -0.92 0.00 0.00 175.35 174.18 2iit n ALA 259 N -3.62 0.02 -0.50 5.17 0.00 0.05 -1.30 120.51 120.33 2iit n ALA 259 Ca 0.09 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2iit n ALA 259 Cb 0.60 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.83 2iit n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iit n GLY 260 N 3.16 1.65 3.92 0.00 0.00 -1.26 -4.86 105.19 107.80 2iit n GLY 260 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 2iit n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iit s ALA 261 N -3.37 2.85 -0.01 4.61 0.00 -0.42 -5.00 121.76 120.43 2iit s ALA 261 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 51.96 50.77 2iit s ALA 261 Cb 0.00 -2.74 -0.06 0.00 0.00 0.00 0.00 23.12 20.32 2iit s ALA 261 CO 0.00 -1.62 1.51 0.08 0.00 0.00 0.00 175.76 175.74 2iit s VAL 262 N -3.46 3.57 0.47 0.00 1.01 -1.26 -4.90 120.40 115.83 2iit s VAL 262 Ca 0.63 0.89 -0.02 0.00 0.00 0.00 0.00 61.98 63.48 2iit s VAL 262 Cb -0.10 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 2iit s VAL 262 CO 0.48 -0.03 0.72 0.20 0.00 0.00 0.00 175.10 176.46 2iit s ASN 263 N 2.39 5.89 0.50 3.32 0.01 -1.26 -4.40 114.94 121.39 2iit s ASN 263 Ca 0.68 0.47 -0.19 0.00 -0.71 0.00 0.00 52.86 53.11 2iit s ASN 263 Cb -0.33 -1.71 -0.08 0.00 0.41 0.00 0.00 41.25 39.54 2iit s ASN 263 CO 0.28 -0.71 1.03 -2.16 -1.51 0.00 0.00 177.10 174.02 2iit s PRO 264 N -4.64 3.77 0.32 -0.60 0.04 -1.26 -4.79 135.00 127.84 2iit s PRO 264 Ca 0.48 1.28 0.06 0.00 0.04 0.00 0.00 61.00 62.86 2iit s PRO 264 Cb -0.10 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 2iit s PRO 264 CO 0.40 -0.45 0.46 0.95 0.04 0.00 0.00 177.00 178.40 2iit s THR 265 N -2.14 4.22 0.02 1.26 -4.23 -0.75 -4.91 115.64 109.12 2iit s THR 265 Ca 0.65 -0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 60.12 2iit s THR 265 Cb -0.15 -3.47 -0.01 0.00 1.34 0.00 0.00 72.50 70.22 2iit s THR 265 CO 0.23 -0.18 0.10 0.54 -0.54 0.00 0.00 174.62 174.77 2iit s VAL 266 N -2.15 0.11 0.06 2.29 0.11 -1.26 -0.97 120.40 118.58 2iit s VAL 266 Ca 0.44 -0.87 0.01 0.00 -2.93 0.00 0.00 61.98 58.63 2iit s VAL 266 Cb -0.09 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 2iit s VAL 266 CO 0.31 -0.48 -0.06 -0.54 -3.33 0.00 0.00 175.10 171.00 2iit s LYS 267 N -1.85 0.61 -0.02 1.54 1.02 -0.10 -4.97 119.74 115.97 2iit s LYS 267 Ca -0.11 -0.99 0.06 0.00 0.02 0.00 0.00 55.97 54.95 2iit s LYS 267 Cb -0.06 -0.15 -0.01 0.00 -0.52 0.00 0.00 37.83 37.09 2iit s LYS 267 CO -0.01 -0.00 -0.21 0.12 -0.92 0.00 0.00 175.35 174.33 2iit s PHE 268 N -2.44 1.90 0.17 3.18 5.36 -1.26 -0.37 117.98 124.53 2iit s PHE 268 Ca -0.01 -0.41 -0.01 0.00 -0.96 0.00 0.00 56.93 55.54 2iit s PHE 268 Cb -0.03 -1.24 -0.04 0.00 -0.34 0.00 0.00 43.02 41.38 2iit s PHE 268 CO -0.03 -0.07 0.09 -0.06 -1.46 0.00 0.00 175.22 173.69 2iit s PHE 269 N -0.38 1.06 -0.07 10.12 0.40 -0.51 -1.48 117.98 127.12 2iit s PHE 269 Ca 0.05 -1.30 -0.03 0.00 -0.60 0.00 0.00 56.93 55.05 2iit s PHE 269 Cb -0.09 -0.55 0.04 0.00 0.51 0.00 0.00 43.02 42.93 2iit s PHE 269 CO 0.00 -0.56 0.16 0.08 0.70 0.00 0.00 175.22 175.60 2iit s VAL 270 N -4.07 -0.09 0.06 -0.44 1.01 -0.18 -1.19 120.40 115.50 2iit s VAL 270 Ca 0.32 0.21 0.09 0.00 0.00 0.00 0.00 61.98 62.60 2iit s VAL 270 Cb 0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 2iit s VAL 270 CO 0.08 0.09 -0.26 0.54 0.00 0.00 0.00 175.10 175.54 2iit s VAL 271 N 1.38 2.24 -0.62 2.92 0.11 -0.29 -0.22 120.40 125.93 2iit s VAL 271 Ca -0.07 -1.45 -0.20 0.00 -2.93 0.00 0.00 61.98 57.33 2iit s VAL 271 Cb -0.12 -1.91 0.10 0.00 -1.53 0.00 0.00 36.38 32.92 2iit s VAL 271 CO -0.06 0.30 0.79 0.21 -3.33 0.00 0.00 175.10 173.01 2iit s ASN 272 N -1.45 6.20 0.55 3.54 3.04 -1.26 -0.71 114.94 124.85 2iit s ASN 272 Ca 0.13 -1.35 0.30 0.00 0.04 0.00 0.00 52.86 51.97 2iit s ASN 272 Cb -0.10 -2.34 1.59 0.00 -1.54 0.00 0.00 41.25 38.86 2iit s ASN 272 CO 0.03 -1.20 2.12 0.71 -3.04 0.00 0.00 177.10 175.73 2iit h THR 273 N 5.92 0.48 0.00 -5.21 1.35 -1.42 -2.49 112.91 111.54 2iit h THR 273 Ca -0.28 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 2iit h THR 273 Cb 1.08 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 2iit h THR 273 CO 1.12 0.08 0.00 0.44 -0.25 0.00 0.00 175.52 176.91 2iit h ASP 274 N 0.00 0.00 0.14 5.36 3.32 -1.88 -2.22 116.42 121.14 2iit h ASP 274 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2iit h ASP 274 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2iit h ASP 274 CO 0.01 0.00 -0.39 -1.54 -1.72 0.00 0.00 179.24 175.60 2iit n SER 275 N -3.06 1.39 -0.34 6.45 3.41 -0.94 -4.46 113.62 116.06 2iit n SER 275 Ca -0.00 -1.11 0.12 0.00 -0.26 0.00 0.00 58.87 57.61 2iit n SER 275 Cb 0.23 0.31 0.30 0.00 -0.26 0.00 0.00 64.21 64.80 2iit n SER 275 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2iit h LEU 276 N 1.57 0.75 -0.42 1.04 3.38 -1.49 -0.92 115.31 119.22 2iit h LEU 276 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2iit h LEU 276 Cb 0.60 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2iit h LEU 276 CO 0.00 0.28 -0.01 -1.54 0.09 0.00 0.00 178.44 177.26 2iit n SER 277 N -4.78 0.66 -0.00 -0.43 3.41 -1.26 -3.65 113.62 107.57 2iit n SER 277 Ca 0.22 -1.19 0.05 0.00 -0.26 0.00 0.00 58.87 57.69 2iit n SER 277 Cb 0.54 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 2iit n SER 277 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2iit n SER 278 N -0.50 0.72 -4.19 4.04 7.64 -0.39 -5.01 113.62 115.92 2iit n SER 278 Ca 0.21 -0.66 -0.17 0.00 1.01 0.00 0.00 58.87 59.27 2iit n SER 278 Cb 0.22 1.05 -0.11 0.00 -1.01 0.00 0.00 64.21 64.36 2iit n SER 278 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2iit s VAL 279 N -2.04 1.11 0.15 0.44 -7.23 -0.98 -5.05 120.40 106.80 2iit s VAL 279 Ca 0.03 -1.50 -0.10 0.00 -1.81 0.00 0.00 61.98 58.60 2iit s VAL 279 Cb 0.08 -1.26 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 2iit s VAL 279 CO 0.42 -0.37 1.48 0.71 -0.31 0.00 0.00 175.10 177.03 2iit h THR 280 N 3.89 1.27 -2.50 5.32 1.35 -1.91 -3.41 112.91 116.92 2iit h THR 280 Ca -0.39 -1.56 -0.58 0.00 -0.55 0.00 0.00 66.41 63.32 2iit h THR 280 Cb 1.19 1.38 -0.39 0.00 -1.73 0.00 0.00 68.15 68.61 2iit h THR 280 CO 0.46 0.52 -0.90 0.21 -0.25 0.00 0.00 175.52 175.57 2iit s ASN 281 N -6.84 2.35 0.29 5.36 3.84 -1.26 -5.03 114.94 113.65 2iit s ASN 281 Ca -0.11 -2.54 -0.28 0.00 0.21 0.00 0.00 52.86 50.14 2iit s ASN 281 Cb 0.11 -0.42 -0.14 0.00 -0.55 0.00 0.00 41.25 40.26 2iit s ASN 281 CO 0.88 -0.25 1.06 0.00 -2.79 0.00 0.00 177.10 175.99 2iit n ALA 282 N 3.56 -0.04 -2.69 1.71 0.00 -1.26 -4.93 120.51 116.86 2iit n ALA 282 Ca 0.19 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.61 2iit n ALA 282 Cb 0.41 -2.05 -0.04 0.00 0.00 0.00 0.00 19.45 17.77 2iit n ALA 282 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2iit s THR 283 N -1.00 4.94 -0.50 0.00 2.01 -1.26 -5.03 115.64 114.80 2iit s THR 283 Ca 0.59 1.61 -0.24 0.00 0.31 0.00 0.00 61.69 63.96 2iit s THR 283 Cb -0.69 -4.12 0.03 0.00 0.01 0.00 0.00 72.50 67.73 2iit s THR 283 CO 0.60 0.12 0.88 -0.44 -0.69 0.00 0.00 174.62 175.09 2iit s SER 284 N 1.02 6.39 -0.19 3.53 0.01 -1.26 -4.49 113.70 118.72 2iit s SER 284 Ca 0.39 -0.20 -0.29 0.00 1.31 0.00 0.00 55.95 57.17 2iit s SER 284 Cb -0.17 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2iit s SER 284 CO 0.16 -1.09 1.01 -0.63 0.41 0.00 0.00 173.24 173.10 2iit s ILE 285 N 3.68 4.73 0.26 1.44 -1.09 0.70 -4.76 121.20 126.16 2iit s ILE 285 Ca 0.31 1.99 -0.24 0.00 -2.23 0.00 0.00 60.65 60.49 2iit s ILE 285 Cb -0.12 -4.29 -0.09 0.00 -1.58 0.00 0.00 42.46 36.38 2iit s ILE 285 CO 0.22 -0.10 0.84 -1.58 -1.23 0.00 0.00 174.94 173.08 2iit s GLN 286 N 2.74 4.46 -0.28 2.79 0.74 -1.26 -1.02 119.66 127.83 2iit s GLN 286 Ca 0.45 1.13 0.01 0.00 0.05 0.00 0.00 55.36 57.00 2iit s GLN 286 Cb -0.16 -2.90 0.06 0.00 1.10 0.00 0.00 33.01 31.11 2iit s GLN 286 CO 0.10 0.37 -0.05 0.42 -0.55 0.00 0.00 175.29 175.58 2iit s ILE 287 N -1.51 2.46 0.46 -2.34 1.01 -0.55 -4.85 121.20 115.88 2iit s ILE 287 Ca 0.45 -1.64 -0.21 0.00 0.00 0.00 0.00 60.65 59.26 2iit s ILE 287 Cb -0.19 -2.48 -0.09 0.00 0.01 0.00 0.00 42.46 39.71 2iit s ILE 287 CO 0.23 -0.12 1.00 0.42 0.00 0.00 0.00 174.94 176.47 2iit s THR 288 N 1.13 4.02 0.79 2.92 -4.23 -1.26 -4.33 115.64 114.69 2iit s THR 288 Ca -0.06 1.27 -0.12 0.00 -1.18 0.00 0.00 61.69 61.60 2iit s THR 288 Cb -0.20 -3.52 0.07 0.00 1.34 0.00 0.00 72.50 70.20 2iit s THR 288 CO -0.04 -0.26 1.14 0.00 -0.54 0.00 0.00 174.62 174.92 2iit s ALA 289 N -2.05 1.99 0.74 3.99 0.00 -1.26 -4.98 121.76 120.19 2iit s ALA 289 Ca 0.65 0.55 -0.12 0.00 0.00 0.00 0.00 51.96 53.04 2iit s ALA 289 Cb -0.14 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.64 2iit s ALA 289 CO 0.17 -2.06 1.10 -1.25 0.00 0.00 0.00 175.76 173.73 2iit s PRO 290 N -4.49 2.39 0.30 0.00 0.04 -1.26 -4.80 135.00 127.19 2iit s PRO 290 Ca 0.67 1.28 0.04 0.00 0.04 0.00 0.00 61.00 63.02 2iit s PRO 290 Cb -0.22 -1.91 0.64 0.00 0.04 0.00 0.00 34.50 33.05 2iit s PRO 290 CO 0.52 -1.55 1.84 0.00 0.04 0.00 0.00 177.00 177.85 2iit h ALA 291 N -0.73 1.62 0.00 8.56 0.00 -1.99 -0.04 119.26 126.69 2iit h ALA 291 Ca -0.45 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2iit h ALA 291 Cb 1.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2iit h ALA 291 CO 0.52 0.12 0.00 -1.13 0.00 0.00 0.00 179.25 178.76 2iit n SER 292 N -4.62 0.55 -0.09 0.00 3.41 -1.26 -2.50 113.62 109.12 2iit n SER 292 Ca 0.19 0.73 -0.10 0.00 -0.26 0.00 0.00 58.87 59.42 2iit n SER 292 Cb 0.41 -0.81 -0.11 0.00 -0.26 0.00 0.00 64.21 63.44 2iit n SER 292 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2iit n MET 293 N -2.21 1.03 0.08 4.33 2.00 -0.08 -4.50 117.12 117.77 2iit n MET 293 Ca -0.01 0.05 0.09 0.00 0.00 0.00 0.00 57.70 57.83 2iit n MET 293 Cb 0.07 -1.40 0.40 0.00 0.00 0.00 0.00 33.22 32.30 2iit n MET 293 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2iit n LEU 294 N -2.80 0.39 0.23 4.03 4.77 -0.85 -2.56 117.00 120.21 2iit n LEU 294 Ca -0.30 0.62 0.10 0.00 -0.03 0.00 0.00 56.01 56.40 2iit n LEU 294 Cb 0.95 -0.59 0.55 0.00 -2.33 0.00 0.00 43.42 42.00 2iit n LEU 294 CO 0.27 -0.53 0.86 0.16 -1.33 0.00 0.00 177.39 176.82 2iit h ILE 295 N 0.00 0.62 -2.00 -0.08 3.07 -1.77 -3.46 117.51 113.89 2iit h ILE 295 Ca 0.00 -0.93 0.00 0.00 1.55 0.00 0.00 64.86 65.48 2iit h ILE 295 Cb 0.24 1.61 0.00 0.00 -0.27 0.00 0.00 36.82 38.40 2iit h ILE 295 CO 0.00 0.20 0.00 0.61 -1.05 0.00 0.00 178.15 177.91 2iit n GLY 296 N -0.20 3.20 3.76 0.16 0.00 -1.06 -5.14 105.19 105.92 2iit n GLY 296 Ca -0.01 -1.40 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 2iit n GLY 296 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2iit s ASP 297 N -1.00 6.00 0.29 1.61 1.01 -1.26 -4.94 116.67 118.39 2iit s ASP 297 Ca 0.00 2.64 -0.05 0.00 0.71 0.00 0.00 52.55 55.84 2iit s ASP 297 Cb 0.00 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.32 2iit s ASP 297 CO 0.00 -1.06 0.48 0.00 0.21 0.00 0.00 175.17 174.80 2iit n HIS 298 N -0.29 -1.57 -3.99 4.23 1.44 -1.26 -1.40 115.22 112.37 2iit n HIS 298 Ca 0.06 -1.72 -0.09 0.00 -2.01 0.00 0.00 57.72 53.97 2iit n HIS 298 Cb 0.45 0.55 -0.11 0.00 0.12 0.00 0.00 29.99 31.00 2iit n HIS 298 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2iit s TYR 299 N -3.47 0.29 -0.25 -1.40 2.02 0.12 -4.78 117.35 109.88 2iit s TYR 299 Ca 0.19 -0.60 -0.19 0.00 -0.37 0.00 0.00 57.07 56.11 2iit s TYR 299 Cb -0.02 -0.22 -0.03 0.00 -0.40 0.00 0.00 41.96 41.30 2iit s TYR 299 CO 0.14 -0.22 0.54 -1.17 -1.57 0.00 0.00 175.55 173.27 2iit s LEU 300 N -1.67 4.07 0.00 -1.29 2.96 -1.26 -1.36 118.68 120.13 2iit s LEU 300 Ca -0.13 0.59 0.05 0.00 -0.22 0.00 0.00 54.13 54.42 2iit s LEU 300 Cb -0.07 -2.71 0.01 0.00 0.50 0.00 0.00 46.19 43.91 2iit s LEU 300 CO -0.02 -0.29 0.47 0.00 -1.32 0.00 0.00 176.35 175.19 2iit s ASP 302 N -0.78 -0.63 -0.07 0.00 -1.08 -1.17 -4.89 116.67 108.06 2iit s ASP 302 Ca 0.04 1.17 -0.00 0.00 -0.52 0.00 0.00 52.55 53.24 2iit s ASP 302 Cb 0.04 1.20 0.02 0.00 -1.46 0.00 0.00 42.92 42.72 2iit s ASP 302 CO 0.10 -0.20 -0.04 -0.69 0.52 0.00 0.00 175.17 174.86 2iit s VAL 303 N 0.53 0.65 -0.12 1.11 1.01 -1.26 -1.61 120.40 120.70 2iit s VAL 303 Ca -0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 2iit s VAL 303 Cb -0.05 -0.71 0.06 0.00 0.00 0.00 0.00 36.38 35.68 2iit s VAL 303 CO -0.05 0.28 0.21 -0.89 0.00 0.00 0.00 175.10 174.65 2iit s THR 304 N 1.49 -0.34 0.27 3.92 2.01 -0.51 -5.02 115.64 117.46 2iit s THR 304 Ca -0.01 0.26 -0.29 0.00 0.31 0.00 0.00 61.69 61.95 2iit s THR 304 Cb -0.13 -0.41 -0.09 0.00 0.01 0.00 0.00 72.50 71.88 2iit s THR 304 CO -0.04 0.09 1.15 0.26 -0.69 0.00 0.00 174.62 175.39 2iit s TRP 305 N 2.35 3.47 -0.27 4.92 0.52 -1.26 -0.33 118.94 128.35 2iit s TRP 305 Ca 0.03 1.61 -0.05 0.00 0.02 0.00 0.00 56.10 57.70 2iit s TRP 305 Cb -0.13 -3.37 -0.15 0.00 -1.15 0.00 0.00 33.47 28.68 2iit s TRP 305 CO -0.08 -0.87 -0.28 0.00 0.02 0.00 0.00 176.95 175.74 2iit n ALA 306 N 1.39 1.35 -3.42 0.98 0.00 0.49 -4.88 120.51 116.40 2iit n ALA 306 Ca 0.00 -1.10 -0.06 0.00 0.00 0.00 0.00 53.44 52.28 2iit n ALA 306 Cb 0.44 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.89 2iit n ALA 306 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2iit n THR 307 N -3.69 0.00 0.32 0.00 -2.24 -1.05 -4.55 114.28 103.07 2iit n THR 307 Ca -0.49 -0.74 0.21 0.00 -2.27 0.00 0.00 64.05 60.75 2iit n THR 307 Cb 0.94 0.44 1.04 0.00 -2.10 0.00 0.00 70.33 70.65 2iit n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2iit h GLN 308 N 0.00 0.00 0.00 -0.78 1.08 -1.97 -3.14 115.11 110.30 2iit h GLN 308 Ca -0.11 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 56.98 2iit h GLN 308 Cb 0.47 0.00 -0.24 0.00 -0.05 0.00 0.00 27.48 27.66 2iit h GLN 308 CO 0.14 0.00 -0.82 0.39 -0.95 0.00 0.00 178.83 177.60 2iit n GLU 309 N -3.06 0.23 -3.68 1.46 1.02 -1.26 -4.87 120.64 110.47 2iit n GLU 309 Ca -0.02 -1.94 -0.16 0.00 -0.02 0.00 0.00 57.16 55.02 2iit n GLU 309 Cb 0.15 -0.35 -0.15 0.00 -0.02 0.00 0.00 31.44 31.06 2iit n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2iit s ARG 310 N -0.48 0.05 0.06 3.49 3.52 -1.19 -1.07 118.95 123.34 2iit s ARG 310 Ca 0.27 0.53 0.08 0.00 -0.13 0.00 0.00 55.73 56.49 2iit s ARG 310 Cb 0.30 -0.24 -0.03 0.00 -1.56 0.00 0.00 34.95 33.42 2iit s ARG 310 CO -0.11 -0.28 -0.23 -1.50 -0.81 0.00 0.00 175.30 172.37 2iit s ILE 311 N 2.06 1.90 0.02 4.11 2.07 0.05 -0.38 121.20 131.03 2iit s ILE 311 Ca 0.00 -1.37 0.06 0.00 -1.41 0.00 0.00 60.65 57.94 2iit s ILE 311 Cb -0.12 -1.65 -0.03 0.00 0.13 0.00 0.00 42.46 40.79 2iit s ILE 311 CO -0.06 0.21 -0.16 -0.94 -1.91 0.00 0.00 174.94 172.08 2iit s SER 312 N -1.39 3.90 -0.01 4.50 1.04 0.55 -0.16 113.70 122.13 2iit s SER 312 Ca 0.10 -0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.18 2iit s SER 312 Cb -0.09 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 65.34 2iit s SER 312 CO 0.03 0.28 -0.03 -0.76 0.98 0.00 0.00 173.24 173.73 2iit s LEU 313 N -1.29 1.90 -0.10 2.42 1.43 -0.18 -1.43 118.68 121.42 2iit s LEU 313 Ca 0.14 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 2iit s LEU 313 Cb -0.11 -0.19 -0.01 0.00 0.03 0.00 0.00 46.19 45.91 2iit s LEU 313 CO 0.05 0.03 -0.16 -1.10 0.23 0.00 0.00 176.35 175.39 2iit s GLN 314 N 0.06 3.11 0.08 1.70 -0.21 -0.64 -0.06 119.66 123.70 2iit s GLN 314 Ca -0.00 -0.73 0.08 0.00 0.02 0.00 0.00 55.36 54.72 2iit s GLN 314 Cb -0.03 -2.50 -0.04 0.00 1.00 0.00 0.00 33.01 31.45 2iit s GLN 314 CO -0.00 0.30 -0.17 -1.58 -2.12 0.00 0.00 175.29 171.72 2iit s TRP 315 N 0.11 2.58 -0.05 0.91 0.52 0.11 -1.19 118.94 121.93 2iit s TRP 315 Ca -0.07 -0.24 0.02 0.00 0.02 0.00 0.00 56.10 55.83 2iit s TRP 315 Cb -0.15 -1.42 0.01 0.00 -1.15 0.00 0.00 33.47 30.76 2iit s TRP 315 CO 0.05 0.33 -0.10 -1.17 0.02 0.00 0.00 176.95 176.08 2iit s LEU 316 N -1.80 1.62 0.56 2.99 2.96 -0.46 -0.32 118.68 124.23 2iit s LEU 316 Ca 0.17 -0.23 -0.18 0.00 -0.22 0.00 0.00 54.13 53.67 2iit s LEU 316 Cb -0.11 -0.66 -0.05 0.00 0.50 0.00 0.00 46.19 45.88 2iit s LEU 316 CO 0.08 0.03 1.10 -0.13 -1.32 0.00 0.00 176.35 176.11 2iit s ARG 317 N 0.55 3.33 0.47 1.98 0.52 -0.86 0.12 118.95 125.06 2iit s ARG 317 Ca -0.10 1.48 0.24 0.00 -0.52 0.00 0.00 55.73 56.83 2iit s ARG 317 Cb -0.13 -2.01 1.26 0.00 0.52 0.00 0.00 34.95 34.58 2iit s ARG 317 CO 0.02 -0.84 1.87 -0.09 0.02 0.00 0.00 175.30 176.28 2iit h ARG 318 N 0.97 0.22 -5.36 3.54 2.43 -1.54 -2.58 114.38 112.06 2iit h ARG 318 Ca -0.49 -0.01 -0.64 0.00 -0.81 0.00 0.00 59.98 58.02 2iit h ARG 318 Cb 1.25 -0.05 -0.15 0.00 -0.42 0.00 0.00 29.97 30.60 2iit h ARG 318 CO 0.57 0.15 0.65 0.42 -1.51 0.00 0.00 179.97 180.25 2iit s ILE 319 N -5.23 4.41 0.00 1.20 -1.09 -1.26 -4.83 121.20 114.39 2iit s ILE 319 Ca -0.07 -0.69 -0.00 0.00 -2.23 0.00 0.00 60.65 57.66 2iit s ILE 319 Cb 0.22 -4.72 -0.01 0.00 -1.58 0.00 0.00 42.46 36.37 2iit s ILE 319 CO 0.78 -1.49 0.52 0.00 -1.23 0.00 0.00 174.94 173.52 2iit n GLN 320 N 7.46 0.23 -0.07 2.79 6.02 -0.97 -3.73 117.38 129.11 2iit n GLN 320 Ca 0.05 -0.03 0.06 0.00 -0.01 0.00 0.00 57.00 57.07 2iit n GLN 320 Cb 0.47 -1.43 0.09 0.00 1.02 0.00 0.00 30.24 30.39 2iit n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2iit n ASN 321 N 2.04 2.05 -3.56 1.08 6.94 -1.26 -1.37 115.26 121.18 2iit n ASN 321 Ca 0.01 -2.66 -0.10 0.00 -0.02 0.00 0.00 54.58 51.81 2iit n ASN 321 Cb 0.11 -0.28 -0.10 0.00 -2.36 0.00 0.00 39.78 37.15 2iit n ASN 321 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 2iit s TYR 322 N -2.10 -0.73 0.11 -2.53 6.14 -1.24 -1.51 117.35 115.48 2iit s TYR 322 Ca 0.20 1.19 0.06 0.00 0.64 0.00 0.00 57.07 59.16 2iit s TYR 322 Cb 0.18 0.14 -0.04 0.00 0.42 0.00 0.00 41.96 42.67 2iit s TYR 322 CO 0.02 -0.54 -0.14 -1.54 0.64 0.00 0.00 175.55 173.99 2iit s SER 323 N 2.55 1.92 -0.02 4.32 1.04 -0.08 -2.02 113.70 121.40 2iit s SER 323 Ca 0.04 -0.75 0.03 0.00 0.48 0.00 0.00 55.95 55.74 2iit s SER 323 Cb -0.13 -0.06 -0.00 0.00 0.10 0.00 0.00 66.02 65.92 2iit s SER 323 CO -0.13 -0.12 -0.10 -0.69 0.98 0.00 0.00 173.24 173.17 2iit s VAL 324 N -1.87 0.88 -0.17 5.02 1.01 0.56 -1.03 120.40 124.80 2iit s VAL 324 Ca 0.06 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 2iit s VAL 324 Cb -0.06 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 2iit s VAL 324 CO 0.03 0.27 -0.03 -0.32 0.00 0.00 0.00 175.10 175.04 2iit s MET 325 N 0.07 3.59 -0.05 2.72 1.75 0.30 0.07 119.30 127.76 2iit s MET 325 Ca -0.02 -0.55 -0.00 0.00 -1.25 0.00 0.00 55.69 53.88 2iit s MET 325 Cb -0.08 -2.95 -0.03 0.00 2.84 0.00 0.00 34.83 34.60 2iit s MET 325 CO 0.00 0.11 -0.00 -0.51 -0.65 0.00 0.00 175.02 173.98 2iit s ASP 326 N 0.69 5.14 -0.20 1.11 1.01 0.92 -1.29 116.67 124.05 2iit s ASP 326 Ca -0.02 0.07 0.01 0.00 0.71 0.00 0.00 52.55 53.32 2iit s ASP 326 Cb -0.14 -1.39 0.03 0.00 1.01 0.00 0.00 42.92 42.42 2iit s ASP 326 CO 0.02 0.33 -0.18 -0.63 0.21 0.00 0.00 175.17 174.92 2iit s ILE 327 N -0.97 2.10 -0.08 0.77 1.01 -1.26 -1.01 121.20 121.75 2iit s ILE 327 Ca 0.16 -1.07 0.03 0.00 0.00 0.00 0.00 60.65 59.77 2iit s ILE 327 Cb -0.11 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.39 2iit s ILE 327 CO 0.06 0.43 -0.17 0.00 0.00 0.00 0.00 174.94 175.26 2iit s ASP 329 N -0.12 4.92 0.02 0.00 1.11 -0.30 -0.77 116.67 121.53 2iit s ASP 329 Ca -0.03 -0.06 -0.30 0.00 0.18 0.00 0.00 52.55 52.35 2iit s ASP 329 Cb -0.14 -1.24 -0.04 0.00 1.07 0.00 0.00 42.92 42.57 2iit s ASP 329 CO 0.04 0.29 1.13 -0.47 1.18 0.00 0.00 175.17 177.34 2iit s TYR 330 N -1.03 3.47 -0.70 4.23 5.04 -0.23 -1.77 117.35 126.35 2iit s TYR 330 Ca 0.18 1.41 -0.13 0.00 -2.44 0.00 0.00 57.07 56.09 2iit s TYR 330 Cb -0.11 -3.33 0.18 0.00 0.35 0.00 0.00 41.96 39.05 2iit s TYR 330 CO 0.09 -0.89 0.63 0.34 -1.34 0.00 0.00 175.55 174.38 2iit s ASP 331 N 1.11 6.40 0.50 4.32 2.15 0.55 -4.95 116.67 126.75 2iit s ASP 331 Ca 0.56 -2.39 0.30 0.00 0.43 0.00 0.00 52.55 51.45 2iit s ASP 331 Cb -0.26 -2.17 1.41 0.00 -0.30 0.00 0.00 42.92 41.60 2iit s ASP 331 CO 0.27 -0.65 1.83 -0.08 -0.17 0.00 0.00 175.17 176.37 2iit h GLU 332 N 8.08 0.10 0.02 4.34 4.81 -1.94 0.59 114.58 130.58 2iit h GLU 332 Ca -0.04 -0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 58.96 2iit h GLU 332 Cb 1.05 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.41 2iit h GLU 332 CO 0.84 0.07 -0.97 0.66 -0.73 0.00 0.00 179.01 178.88 2iit h SER 333 N 0.11 0.48 -0.03 1.04 4.64 -1.96 -3.31 113.55 114.52 2iit h SER 333 Ca 0.52 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2iit h SER 333 Cb 1.88 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 2iit h SER 333 CO -0.08 1.21 0.00 -1.54 -0.87 0.00 0.00 176.83 175.55 2iit n SER 334 N -3.71 2.32 -1.68 4.97 3.41 -0.61 -4.96 113.62 113.36 2iit n SER 334 Ca -0.06 -1.66 -0.16 0.00 -0.26 0.00 0.00 58.87 56.73 2iit n SER 334 Cb 0.85 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.74 2iit n SER 334 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2iit n GLY 335 N 0.88 1.02 3.88 5.00 0.00 0.20 -4.94 105.19 111.23 2iit n GLY 335 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 2iit n GLY 335 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2iit s ARG 336 N -3.72 2.64 -0.18 1.61 1.81 -1.18 -4.90 118.95 115.04 2iit s ARG 336 Ca 0.00 -1.41 -0.00 0.00 -1.72 0.00 0.00 55.73 52.60 2iit s ARG 336 Cb 0.00 -2.46 0.00 0.00 -0.45 0.00 0.00 34.95 32.05 2iit s ARG 336 CO 0.00 -0.08 -0.15 -1.58 -0.68 0.00 0.00 175.30 172.81 2iit s TRP 337 N -2.39 2.81 -0.04 -0.53 0.52 -1.26 -0.33 118.94 117.71 2iit s TRP 337 Ca 0.46 -1.22 0.06 0.00 0.02 0.00 0.00 56.10 55.42 2iit s TRP 337 Cb -0.05 -1.94 -0.02 0.00 -1.15 0.00 0.00 33.47 30.31 2iit s TRP 337 CO 0.28 -0.60 -0.21 -0.80 0.02 0.00 0.00 176.95 175.64 2iit s ASN 338 N 1.11 3.41 -0.37 2.95 0.02 -0.73 -4.92 114.94 116.41 2iit s ASN 338 Ca 0.00 -0.39 -0.01 0.00 -1.02 0.00 0.00 52.86 51.44 2iit s ASN 338 Cb -0.14 -0.69 0.09 0.00 0.02 0.00 0.00 41.25 40.53 2iit s ASN 338 CO -0.05 0.30 0.13 0.00 0.02 0.00 0.00 177.10 177.50 2iit s LEU 340 N 1.12 4.38 0.54 0.00 1.43 -1.26 -4.89 118.68 120.01 2iit s LEU 340 Ca 0.06 2.61 0.29 0.00 -1.03 0.00 0.00 54.13 56.05 2iit s LEU 340 Cb -0.21 -3.61 1.56 0.00 0.03 0.00 0.00 46.19 43.96 2iit s LEU 340 CO -0.04 -0.74 2.12 1.62 0.23 0.00 0.00 176.35 179.53 2iit h VAL 341 N 3.81 0.52 0.00 -1.59 3.04 -1.97 0.03 116.25 120.10 2iit h VAL 341 Ca -0.44 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 64.84 2iit h VAL 341 Cb 1.21 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.76 2iit h VAL 341 CO 0.84 0.09 0.00 0.00 -1.01 0.00 0.00 177.57 177.49 2iit n ALA 342 N -2.28 1.37 -0.16 3.17 0.00 -1.26 -1.25 120.51 120.10 2iit n ALA 342 Ca -0.02 0.14 0.08 0.00 0.00 0.00 0.00 53.44 53.64 2iit n ALA 342 Cb 0.20 -1.36 0.20 0.00 0.00 0.00 0.00 19.45 18.49 2iit n ALA 342 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2iit n ARG 343 N -2.26 2.66 -3.10 0.00 1.74 -0.01 -4.22 116.66 111.47 2iit n ARG 343 Ca 0.00 -2.18 -0.39 0.00 -0.77 0.00 0.00 57.85 54.51 2iit n ARG 343 Cb 0.14 -1.37 -0.05 0.00 -1.02 0.00 0.00 32.46 30.16 2iit n ARG 343 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2iit s GLN 344 N -1.03 4.42 -0.13 5.56 0.74 -0.38 -4.06 119.66 124.78 2iit s GLN 344 Ca 0.31 0.79 0.02 0.00 0.05 0.00 0.00 55.36 56.53 2iit s GLN 344 Cb 0.16 -3.44 -0.00 0.00 1.10 0.00 0.00 33.01 30.83 2iit s GLN 344 CO 0.22 0.09 -0.19 -1.01 -0.55 0.00 0.00 175.29 173.84 2iit s HIS 345 N 0.75 2.69 -0.09 1.67 3.76 -0.41 -4.93 115.29 118.72 2iit s HIS 345 Ca 0.35 -1.03 -0.12 0.00 -0.15 0.00 0.00 55.06 54.11 2iit s HIS 345 Cb -0.17 -1.80 -0.05 0.00 1.11 0.00 0.00 32.58 31.67 2iit s HIS 345 CO 0.17 -0.44 0.28 0.42 -0.85 0.00 0.00 174.74 174.32 2iit s ILE 346 N 0.56 5.28 -0.18 0.60 1.01 -1.26 -0.54 121.20 126.68 2iit s ILE 346 Ca -0.11 0.52 -0.03 0.00 0.00 0.00 0.00 60.65 61.02 2iit s ILE 346 Cb -0.16 -3.57 0.06 0.00 0.01 0.00 0.00 42.46 38.79 2iit s ILE 346 CO 0.04 0.54 0.05 -0.70 0.00 0.00 0.00 174.94 174.87 2iit s GLU 347 N -0.63 0.47 0.29 2.79 2.12 -0.20 -5.02 118.70 118.52 2iit s GLU 347 Ca 0.18 -0.28 0.03 0.00 0.36 0.00 0.00 54.97 55.26 2iit s GLU 347 Cb -0.14 -1.94 -0.06 0.00 0.26 0.00 0.00 34.13 32.26 2iit s GLU 347 CO 0.07 -0.62 0.06 0.00 -0.54 0.00 0.00 175.26 174.23 2iit s MET 348 N 1.95 1.52 0.01 4.30 0.23 -1.26 -0.90 119.30 125.15 2iit s MET 348 Ca 0.00 -1.82 0.04 0.00 -1.03 0.00 0.00 55.69 52.87 2iit s MET 348 Cb -0.16 -0.61 -0.01 0.00 -1.53 0.00 0.00 34.83 32.51 2iit s MET 348 CO -0.08 -0.21 -0.11 0.45 -2.03 0.00 0.00 175.02 173.04 2iit s SER 349 N -3.40 1.28 -0.12 -1.18 0.15 -0.57 -4.98 113.70 104.88 2iit s SER 349 Ca 0.36 -0.30 0.19 0.00 0.70 0.00 0.00 55.95 56.90 2iit s SER 349 Cb 0.08 -0.11 -0.28 0.00 -1.71 0.00 0.00 66.02 64.01 2iit s SER 349 CO 0.14 0.06 0.24 0.35 1.20 0.00 0.00 173.24 175.23 2iit n THR 350 N 2.41 0.76 0.21 6.45 -2.24 -1.26 -4.51 114.28 116.11 2iit n THR 350 Ca -0.16 -0.68 0.11 0.00 -2.27 0.00 0.00 64.05 61.05 2iit n THR 350 Cb 0.56 -0.26 -0.16 0.00 -2.10 0.00 0.00 70.33 68.37 2iit n THR 350 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2iit n THR 351 N -2.51 0.00 0.00 4.28 -2.24 -1.26 -5.07 114.28 107.48 2iit n THR 351 Ca -0.20 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 2iit n THR 351 Cb 0.88 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 2iit n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2iit n GLY 352 N 1.33 3.44 4.00 3.38 0.00 -1.26 -4.83 105.19 111.24 2iit n GLY 352 Ca -0.02 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 2iit n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2iit s TRP 353 N 0.10 2.37 -0.18 1.61 -2.14 -1.26 -4.58 118.94 114.86 2iit s TRP 353 Ca 0.00 -0.34 -0.16 0.00 2.66 0.00 0.00 56.10 58.26 2iit s TRP 353 Cb 0.00 -2.53 -0.04 0.00 -3.10 0.00 0.00 33.47 27.80 2iit s TRP 353 CO 0.00 -0.87 0.39 0.08 -2.66 0.00 0.00 176.95 173.89 2iit s VAL 354 N -2.64 5.22 0.00 -0.66 1.01 -0.47 -4.77 120.40 118.08 2iit s VAL 354 Ca 0.59 0.72 0.00 0.00 0.00 0.00 0.00 61.98 63.28 2iit s VAL 354 Cb -0.09 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2iit s VAL 354 CO 0.37 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.37 2iit n GLY 355 N 3.73 -1.10 0.18 4.51 0.00 -1.26 -3.27 105.19 107.98 2iit n GLY 355 Ca -0.09 -1.62 -0.14 0.00 0.00 0.00 0.00 46.02 44.17 2iit n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2iit h ARG 356 N 0.00 -0.37 0.00 1.61 3.08 -1.96 -3.38 114.38 113.37 2iit h ARG 356 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2iit h ARG 356 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2iit h ARG 356 CO 0.00 -0.11 -0.26 1.19 -1.07 0.00 0.00 179.97 179.72 2iit n PHE 357 N -5.17 0.00 -3.63 3.04 3.72 -1.26 -4.87 117.46 109.30 2iit n PHE 357 Ca -0.10 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.29 2iit n PHE 357 Cb 0.23 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.75 2iit n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2iit s ARG 358 N -1.05 0.08 0.27 -1.08 1.70 -1.25 -5.02 118.95 112.61 2iit s ARG 358 Ca 0.00 -0.03 -0.30 0.00 -0.47 0.00 0.00 55.73 54.93 2iit s ARG 358 Cb 0.00 0.03 -0.13 0.00 -0.57 0.00 0.00 34.95 34.28 2iit s ARG 358 CO 0.00 -0.03 1.26 -2.30 -1.08 0.00 0.00 175.30 173.14 2iit n PRO 359 N -0.09 1.81 -1.27 3.89 -0.02 -1.20 -4.32 135.00 133.80 2iit n PRO 359 Ca 0.03 0.64 -0.30 0.00 -2.02 0.00 0.00 63.50 61.84 2iit n PRO 359 Cb 0.58 -2.19 0.11 0.00 -0.02 0.00 0.00 33.50 31.97 2iit n PRO 359 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2iit s SER 360 N -0.10 4.11 0.06 2.55 1.04 -1.26 -4.95 113.70 115.14 2iit s SER 360 Ca 0.63 1.64 -0.19 0.00 0.48 0.00 0.00 55.95 58.51 2iit s SER 360 Cb -0.66 -2.34 -0.06 0.00 0.10 0.00 0.00 66.02 63.05 2iit s SER 360 CO 0.56 -2.26 0.56 -1.83 0.98 0.00 0.00 173.24 171.25 2iit s GLU 361 N -4.94 4.20 0.47 4.02 1.03 -1.26 -4.92 118.70 117.30 2iit s GLU 361 Ca 0.62 0.71 -0.20 0.00 0.03 0.00 0.00 54.97 56.13 2iit s GLU 361 Cb -0.17 -3.25 -0.09 0.00 -0.80 0.00 0.00 34.13 29.81 2iit s GLU 361 CO 0.56 0.61 0.99 -1.25 -1.33 0.00 0.00 175.26 174.84 2iit s PRO 362 N -0.99 4.00 -0.27 -4.83 0.04 -1.26 -4.65 135.00 127.03 2iit s PRO 362 Ca 0.29 1.19 0.02 0.00 0.04 0.00 0.00 61.00 62.54 2iit s PRO 362 Cb -0.19 -2.14 0.07 0.00 0.04 0.00 0.00 34.50 32.29 2iit s PRO 362 CO 0.18 -0.24 -0.02 -1.01 0.04 0.00 0.00 177.00 175.96 2iit s HIS 363 N -2.17 2.76 0.30 0.56 3.76 0.15 -4.93 115.29 115.72 2iit s HIS 363 Ca 0.64 -2.13 -0.19 0.00 -0.15 0.00 0.00 55.06 53.22 2iit s HIS 363 Cb -0.12 -1.97 -0.09 0.00 1.11 0.00 0.00 32.58 31.51 2iit s HIS 363 CO 0.18 -0.85 0.79 -0.06 -0.85 0.00 0.00 174.74 173.96 2iit s PHE 364 N 1.26 3.52 0.69 1.40 0.40 -1.26 -0.42 117.98 123.57 2iit s PHE 364 Ca -0.00 1.42 -0.11 0.00 -0.60 0.00 0.00 56.93 57.63 2iit s PHE 364 Cb -0.19 -2.67 0.00 0.00 0.51 0.00 0.00 43.02 40.68 2iit s PHE 364 CO -0.09 0.18 1.06 0.95 0.70 0.00 0.00 175.22 178.02 2iit s THR 365 N -1.78 3.95 0.26 0.64 -4.23 -0.69 -4.89 115.64 108.90 2iit s THR 365 Ca 0.50 0.67 -0.10 0.00 -1.18 0.00 0.00 61.69 61.58 2iit s THR 365 Cb -0.14 -3.36 0.39 0.00 1.34 0.00 0.00 72.50 70.73 2iit s THR 365 CO 0.19 -0.79 1.57 0.25 -0.54 0.00 0.00 174.62 175.30 2iit h LEU 366 N -0.58 -0.97 0.00 4.79 5.85 -1.92 0.20 115.31 122.69 2iit h LEU 366 Ca -0.44 0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2iit h LEU 366 Cb 1.21 0.61 0.00 0.00 0.37 0.00 0.00 40.66 42.85 2iit h LEU 366 CO 0.56 -0.31 0.00 -0.90 -0.34 0.00 0.00 178.44 177.46 2iit n ASP 367 N -5.58 0.00 -1.10 1.25 5.68 -1.26 -4.88 116.55 110.66 2iit n ASP 367 Ca 0.14 -0.64 -0.14 0.00 -0.50 0.00 0.00 54.79 53.64 2iit n ASP 367 Cb 0.46 -0.02 -0.06 0.00 -1.14 0.00 0.00 41.12 40.36 2iit n ASP 367 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2iit n GLY 368 N 0.37 1.42 0.18 6.12 0.00 0.71 -4.87 105.19 109.12 2iit n GLY 368 Ca 0.16 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.19 2iit n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2iit n ASN 369 N -0.95 1.15 -3.78 1.61 3.02 -1.26 -4.90 115.26 110.15 2iit n ASN 369 Ca -0.14 -0.94 -0.10 0.00 -0.03 0.00 0.00 54.58 53.37 2iit n ASN 369 Cb 0.57 0.51 -0.05 0.00 -0.61 0.00 0.00 39.78 40.20 2iit n ASN 369 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2iit s SER 370 N -2.76 -0.12 0.14 6.41 1.04 -1.26 -1.38 113.70 115.76 2iit s SER 370 Ca 0.15 -0.56 -0.18 0.00 0.48 0.00 0.00 55.95 55.84 2iit s SER 370 Cb 0.18 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.82 2iit s SER 370 CO 0.68 -0.91 0.46 0.72 0.98 0.00 0.00 173.24 175.17 2iit s PHE 371 N -3.88 -0.27 -0.09 5.02 -0.12 -0.06 -1.71 117.98 116.87 2iit s PHE 371 Ca 0.09 -0.02 0.01 0.00 -0.05 0.00 0.00 56.93 56.96 2iit s PHE 371 Cb 0.02 0.34 -0.02 0.00 -0.63 0.00 0.00 43.02 42.72 2iit s PHE 371 CO -0.06 -0.75 -0.10 0.71 -0.05 0.00 0.00 175.22 174.96 2iit s TYR 372 N -3.80 2.84 0.00 3.49 1.51 0.44 -0.69 117.35 121.15 2iit s TYR 372 Ca 0.03 -0.26 -0.04 0.00 -1.01 0.00 0.00 57.07 55.79 2iit s TYR 372 Cb 0.01 -1.76 -0.00 0.00 -0.11 0.00 0.00 41.96 40.10 2iit s TYR 372 CO -0.11 0.09 0.06 0.21 -1.11 0.00 0.00 175.55 174.69 2iit s LYS 373 N -0.30 0.32 -0.13 -0.62 2.20 -0.74 -0.67 119.74 119.80 2iit s LYS 373 Ca 0.03 -0.35 -0.18 0.00 -0.36 0.00 0.00 55.97 55.12 2iit s LYS 373 Cb -0.13 0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.28 2iit s LYS 373 CO 0.03 -0.07 0.46 0.42 -0.36 0.00 0.00 175.35 175.83 2iit s ILE 374 N -1.05 5.19 0.08 5.43 1.01 -1.26 -0.37 121.20 130.23 2iit s ILE 374 Ca -0.11 0.91 -0.08 0.00 0.00 0.00 0.00 60.65 61.36 2iit s ILE 374 Cb -0.07 -3.80 -0.00 0.00 0.01 0.00 0.00 42.46 38.60 2iit s ILE 374 CO 0.00 0.31 0.18 0.27 0.00 0.00 0.00 174.94 175.71 2iit s ILE 375 N 0.73 0.14 0.13 2.92 -4.36 -0.24 -4.59 121.20 115.94 2iit s ILE 375 Ca 0.25 -1.18 -0.26 0.00 -0.26 0.00 0.00 60.65 59.20 2iit s ILE 375 Cb -0.15 -1.31 -0.07 0.00 1.25 0.00 0.00 42.46 42.18 2iit s ILE 375 CO 0.10 -0.65 0.81 -0.94 0.24 0.00 0.00 174.94 174.50 2iit s SER 376 N -2.80 7.38 0.66 4.36 1.04 -1.26 -0.68 113.70 122.39 2iit s SER 376 Ca 0.04 1.64 0.00 0.00 0.48 0.00 0.00 55.95 58.11 2iit s SER 376 Cb 0.05 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.65 2iit s SER 376 CO -0.10 0.12 0.00 -0.46 0.98 0.00 0.00 173.24 173.77 2iit n ASN 377 N 2.07 0.00 0.25 7.02 0.23 0.10 -4.84 115.26 120.09 2iit n ASN 377 Ca -0.03 -0.78 0.08 0.00 -0.53 0.00 0.00 54.58 53.32 2iit n ASN 377 Cb 0.49 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.80 2iit n ASN 377 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2iit h GLU 378 N 0.00 0.00 -0.00 -3.83 5.08 -1.97 -1.08 114.58 112.77 2iit h GLU 378 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2iit h GLU 378 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2iit h GLU 378 CO 0.00 0.11 -0.11 0.39 -1.00 0.00 0.00 179.01 178.41 2iit n GLU 379 N -4.22 0.63 -0.65 2.33 1.02 -1.26 -4.92 120.64 113.57 2iit n GLU 379 Ca -0.03 -0.20 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 2iit n GLU 379 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 2iit n GLU 379 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2iit n GLY 380 N 1.29 0.63 3.68 0.62 0.00 -0.41 -4.72 105.19 106.27 2iit n GLY 380 Ca 0.14 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 2iit n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2iit s TYR 381 N -2.00 3.13 -0.23 1.61 1.51 -1.26 -0.02 117.35 120.09 2iit s TYR 381 Ca 0.00 0.15 -0.27 0.00 -1.01 0.00 0.00 57.07 55.94 2iit s TYR 381 Cb 0.00 -1.75 0.00 0.00 -0.11 0.00 0.00 41.96 40.10 2iit s TYR 381 CO 0.00 0.46 0.93 1.03 -1.11 0.00 0.00 175.55 176.86 2iit s ARG 382 N -1.07 4.23 0.24 -0.62 0.52 -1.26 0.00 118.95 121.00 2iit s ARG 382 Ca 0.15 1.16 0.01 0.00 -0.52 0.00 0.00 55.73 56.53 2iit s ARG 382 Cb -0.11 -3.64 -0.04 0.00 0.52 0.00 0.00 34.95 31.68 2iit s ARG 382 CO 0.05 -0.56 0.13 -1.01 0.02 0.00 0.00 175.30 173.93 2iit s HIS 383 N 2.96 1.40 -0.17 -0.53 3.76 0.14 -1.26 115.29 121.59 2iit s HIS 383 Ca 0.40 -1.32 -0.24 0.00 -0.15 0.00 0.00 55.06 53.75 2iit s HIS 383 Cb -0.15 -0.74 -0.02 0.00 1.11 0.00 0.00 32.58 32.78 2iit s HIS 383 CO 0.07 -0.52 0.78 0.42 -0.85 0.00 0.00 174.74 174.64 2iit s ILE 384 N -3.89 4.92 -0.08 0.60 1.01 -1.26 -1.07 121.20 121.43 2iit s ILE 384 Ca 0.38 1.51 0.00 0.00 0.00 0.00 0.00 60.65 62.55 2iit s ILE 384 Cb 0.07 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 2iit s ILE 384 CO 0.14 0.06 -0.07 0.00 0.00 0.00 0.00 174.94 175.07 2iit s TYR 386 N -0.67 3.27 0.01 0.00 5.04 0.20 -1.79 117.35 123.40 2iit s TYR 386 Ca 0.10 0.15 0.05 0.00 -2.44 0.00 0.00 57.07 54.93 2iit s TYR 386 Cb -0.11 -2.29 -0.03 0.00 0.35 0.00 0.00 41.96 39.87 2iit s TYR 386 CO 0.02 -0.03 -0.12 -0.06 -1.34 0.00 0.00 175.55 174.02 2iit s PHE 387 N 1.28 2.73 -0.16 4.97 0.08 0.14 -1.29 117.98 125.72 2iit s PHE 387 Ca 0.07 -0.14 -0.09 0.00 0.12 0.00 0.00 56.93 56.89 2iit s PHE 387 Cb -0.14 -1.56 -0.05 0.00 -0.57 0.00 0.00 43.02 40.71 2iit s PHE 387 CO 0.06 0.30 0.15 -1.14 -0.10 0.00 0.00 175.22 174.49 2iit s GLN 388 N -1.31 3.87 0.66 0.44 2.00 -1.26 -0.88 119.66 123.17 2iit s GLN 388 Ca 0.15 -0.16 0.38 0.00 -2.00 0.00 0.00 55.36 53.73 2iit s GLN 388 Cb -0.11 -3.32 2.08 0.00 0.80 0.00 0.00 33.01 32.46 2iit s GLN 388 CO 0.06 0.51 2.20 -0.84 -0.50 0.00 0.00 175.29 176.71 2iit h ILE 389 N 4.36 0.08 -0.02 -2.34 3.07 -1.57 -2.42 117.51 118.67 2iit h ILE 389 Ca -0.47 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 65.93 2iit h ILE 389 Cb 1.19 0.88 -0.01 0.00 -0.27 0.00 0.00 36.82 38.60 2iit h ILE 389 CO 0.68 0.00 -0.50 -0.90 -1.05 0.00 0.00 178.15 176.38 2iit n ASP 390 N -3.14 1.79 -3.92 2.16 5.75 -1.26 -4.19 116.55 113.73 2iit n ASP 390 Ca -0.02 -3.91 -0.20 0.00 -0.01 0.00 0.00 54.79 50.65 2iit n ASP 390 Cb 0.20 -0.53 -0.16 0.00 -1.03 0.00 0.00 41.12 39.60 2iit n ASP 390 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2iit s LYS 391 N -3.25 0.88 0.14 0.11 1.02 -0.91 -4.84 119.74 112.89 2iit s LYS 391 Ca 0.38 -0.15 0.06 0.00 0.02 0.00 0.00 55.97 56.28 2iit s LYS 391 Cb 0.37 -0.85 -0.12 0.00 -0.52 0.00 0.00 37.83 36.71 2iit s LYS 391 CO -0.07 -0.04 1.32 0.87 -0.92 0.00 0.00 175.35 176.52 2iit h LYS 392 N 6.99 0.06 -5.97 1.68 1.79 -1.88 -3.40 116.57 115.83 2iit h LYS 392 Ca -0.37 -0.08 -0.58 0.00 -2.18 0.00 0.00 60.65 57.44 2iit h LYS 392 Cb 1.16 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 31.77 2iit h LYS 392 CO 0.48 0.97 0.45 -0.51 -1.08 0.00 0.00 179.45 179.76 2iit s ASP 393 N -6.81 6.98 0.44 0.86 -0.00 -1.26 -5.00 116.67 111.89 2iit s ASP 393 Ca -0.00 1.21 0.08 0.00 -0.00 0.00 0.00 52.55 53.84 2iit s ASP 393 Cb 0.10 -2.47 0.01 0.00 -0.00 0.00 0.00 42.92 40.56 2iit s ASP 393 CO 0.82 -0.44 0.55 0.00 -0.00 0.00 0.00 175.17 176.10 2iit s THR 395 N -2.42 2.03 0.20 0.00 2.01 -0.41 -4.89 115.64 112.16 2iit s THR 395 Ca 0.54 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 61.29 2iit s THR 395 Cb -0.08 -1.81 -0.08 0.00 0.01 0.00 0.00 72.50 70.54 2iit s THR 395 CO 0.32 0.54 1.20 -0.36 -0.69 0.00 0.00 174.62 175.63 2iit s PHE 396 N 1.01 3.42 -1.35 4.92 0.08 -1.26 0.63 117.98 125.43 2iit s PHE 396 Ca -0.02 1.44 0.14 0.00 0.12 0.00 0.00 56.93 58.61 2iit s PHE 396 Cb -0.14 -3.43 0.02 0.00 -0.57 0.00 0.00 43.02 38.90 2iit s PHE 396 CO -0.06 -1.19 0.80 0.44 -0.10 0.00 0.00 175.22 175.11 2iit n ILE 397 N 2.31 0.00 -4.01 0.64 -5.35 0.66 -4.89 119.36 108.71 2iit n ILE 397 Ca 0.04 -0.39 -0.08 0.00 -0.27 0.00 0.00 62.75 62.04 2iit n ILE 397 Cb 0.44 1.19 -0.10 0.00 -1.74 0.00 0.00 39.64 39.43 2iit n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2iit s THR 398 N -1.55 0.16 0.12 7.28 -4.23 -1.25 -4.96 115.64 111.20 2iit s THR 398 Ca 0.12 -1.32 -0.25 0.00 -1.18 0.00 0.00 61.69 59.06 2iit s THR 398 Cb 0.11 -0.92 0.07 0.00 1.34 0.00 0.00 72.50 73.10 2iit s THR 398 CO 0.30 -0.73 0.80 -1.59 -0.54 0.00 0.00 174.62 172.87 2iit s LYS 399 N -2.74 1.17 0.00 3.99 -2.85 -1.26 -4.52 119.74 113.53 2iit s LYS 399 Ca -0.04 -0.53 0.00 0.00 -1.00 0.00 0.00 55.97 54.40 2iit s LYS 399 Cb -0.01 0.47 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 2iit s LYS 399 CO -0.06 -0.52 0.00 0.41 0.10 0.00 0.00 175.35 175.28 2iit n GLY 400 N -0.36 2.74 2.69 0.59 0.00 -1.26 -4.93 105.19 104.65 2iit n GLY 400 Ca -0.10 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 2iit n GLY 400 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2iit n THR 401 N -1.96 4.62 -3.77 2.61 -2.24 -1.26 -4.77 114.28 107.51 2iit n THR 401 Ca 0.00 -4.20 -0.02 0.00 -2.27 0.00 0.00 64.05 57.56 2iit n THR 401 Cb 0.00 -2.29 -0.00 0.00 -2.10 0.00 0.00 70.33 65.94 2iit n THR 401 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 2iit s TRP 402 N 0.07 -0.06 0.11 4.78 1.48 -1.26 -5.03 118.94 119.04 2iit s TRP 402 Ca 0.47 -0.24 0.03 0.00 -1.06 0.00 0.00 56.10 55.29 2iit s TRP 402 Cb 0.13 0.64 -0.04 0.00 -1.16 0.00 0.00 33.47 33.05 2iit s TRP 402 CO -0.04 -0.77 -0.08 -1.21 -4.06 0.00 0.00 176.95 170.79 2iit s GLU 403 N -2.83 0.88 -0.11 3.25 2.02 -1.26 -4.54 118.70 116.11 2iit s GLU 403 Ca 0.15 -1.31 -0.23 0.00 0.02 0.00 0.00 54.97 53.61 2iit s GLU 403 Cb -0.01 -0.37 -0.03 0.00 0.10 0.00 0.00 34.13 33.82 2iit s GLU 403 CO 0.02 0.03 0.68 0.08 0.02 0.00 0.00 175.26 176.09 2iit s VAL 404 N -3.24 5.04 -0.03 2.63 1.01 -0.39 -2.70 120.40 122.70 2iit s VAL 404 Ca 0.11 1.37 -0.20 0.00 0.00 0.00 0.00 61.98 63.26 2iit s VAL 404 Cb 0.02 -4.01 -0.32 0.00 0.00 0.00 0.00 36.38 32.07 2iit s VAL 404 CO -0.02 0.20 0.89 0.40 0.00 0.00 0.00 175.10 176.58 2iit h ILE 405 N 4.89 1.42 -1.82 2.22 1.08 -1.00 -3.46 117.51 120.84 2iit h ILE 405 Ca -0.38 -2.57 0.17 0.00 -0.39 0.00 0.00 64.86 61.69 2iit h ILE 405 Cb 1.18 3.13 -0.18 0.00 -3.07 0.00 0.00 36.82 37.88 2iit h ILE 405 CO 0.77 0.74 0.64 -0.83 -0.69 0.00 0.00 178.15 178.78 2iit s GLY 406 N -4.51 -0.35 -0.22 5.37 0.00 -1.18 -5.00 107.32 101.42 2iit s GLY 406 Ca -0.13 1.46 -0.16 0.00 0.00 0.00 0.00 44.72 45.89 2iit s GLY 406 CO 0.86 0.54 0.42 -0.42 0.00 0.00 0.00 173.10 174.50 2iit s ILE 407 N -2.48 5.17 -0.19 0.90 1.01 -1.26 -1.89 121.20 122.46 2iit s ILE 407 Ca 0.06 0.73 0.03 0.00 0.00 0.00 0.00 60.65 61.47 2iit s ILE 407 Cb -0.01 -3.75 -0.21 0.00 0.01 0.00 0.00 42.46 38.50 2iit s ILE 407 CO -0.06 0.20 0.07 -0.62 0.00 0.00 0.00 174.94 174.54 2iit n GLU 408 N 4.80 0.69 -3.49 2.79 -0.58 0.07 -4.99 120.64 119.93 2iit n GLU 408 Ca -0.07 0.17 -0.15 0.00 -0.42 0.00 0.00 57.16 56.69 2iit n GLU 408 Cb 0.51 -1.60 -0.04 0.00 -0.57 0.00 0.00 31.44 29.74 2iit n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2iit s ALA 409 N -2.53 -1.63 -0.06 0.62 0.00 -1.13 -4.90 121.76 112.11 2iit s ALA 409 Ca -0.24 0.87 -0.03 0.00 0.00 0.00 0.00 51.96 52.56 2iit s ALA 409 Cb 0.08 0.43 0.04 0.00 0.00 0.00 0.00 23.12 23.66 2iit s ALA 409 CO 0.71 -0.56 0.08 -1.17 0.00 0.00 0.00 175.76 174.82 2iit s LEU 410 N -1.95 0.14 0.42 0.00 2.96 -1.26 -0.60 118.68 118.39 2iit s LEU 410 Ca -0.05 0.00 0.07 0.00 -0.22 0.00 0.00 54.13 53.93 2iit s LEU 410 Cb -0.01 -0.11 -0.05 0.00 0.50 0.00 0.00 46.19 46.52 2iit s LEU 410 CO -0.01 -0.26 0.14 0.42 -1.32 0.00 0.00 176.35 175.31 2iit s THR 411 N 2.18 2.15 0.34 3.68 -4.23 0.46 -5.01 115.64 115.22 2iit s THR 411 Ca 0.04 -1.78 0.36 0.00 -1.18 0.00 0.00 61.69 59.13 2iit s THR 411 Cb -0.13 -2.93 0.36 0.00 1.34 0.00 0.00 72.50 71.14 2iit s THR 411 CO -0.04 0.00 2.10 0.77 -0.54 0.00 0.00 174.62 176.90 2iit h SER 412 N 1.49 0.00 0.00 3.99 4.64 -2.01 -3.14 113.55 118.52 2iit h SER 412 Ca -0.43 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.79 2iit h SER 412 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 2iit h SER 412 CO 0.73 0.00 -1.39 0.47 -0.87 0.00 0.00 176.83 175.77 2iit n ASP 413 N -2.76 3.60 -4.11 4.97 8.00 -1.26 -4.93 116.55 120.06 2iit n ASP 413 Ca -0.02 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.32 2iit n ASP 413 Cb 0.06 0.64 -0.12 0.00 -0.02 0.00 0.00 41.12 41.69 2iit n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2iit s TYR 414 N -2.14 0.91 -0.13 1.24 1.51 -1.19 -1.25 117.35 116.30 2iit s TYR 414 Ca -0.03 -0.48 0.02 0.00 -1.01 0.00 0.00 57.07 55.57 2iit s TYR 414 Cb 0.02 -0.52 -0.00 0.00 -0.11 0.00 0.00 41.96 41.34 2iit s TYR 414 CO 0.23 -0.02 -0.19 -1.17 -1.11 0.00 0.00 175.55 173.29 2iit s LEU 415 N -1.64 2.31 -0.08 -1.29 0.20 -0.94 -0.40 118.68 116.83 2iit s LEU 415 Ca -0.06 -0.50 -0.01 0.00 0.69 0.00 0.00 54.13 54.24 2iit s LEU 415 Cb -0.10 -1.49 -0.03 0.00 -0.43 0.00 0.00 46.19 44.13 2iit s LEU 415 CO 0.01 0.13 -0.02 -0.31 -0.29 0.00 0.00 176.35 175.87 2iit s TYR 416 N 0.56 3.10 0.11 5.38 1.51 0.23 -1.36 117.35 126.87 2iit s TYR 416 Ca -0.12 0.13 -0.13 0.00 -1.01 0.00 0.00 57.07 55.94 2iit s TYR 416 Cb -0.16 -1.78 0.02 0.00 -0.11 0.00 0.00 41.96 39.93 2iit s TYR 416 CO 0.04 0.41 0.32 1.52 -1.11 0.00 0.00 175.55 176.73 2iit s TYR 417 N -0.80 -0.05 -0.09 2.71 -0.85 -0.40 -0.75 117.35 117.11 2iit s TYR 417 Ca 0.12 -0.31 -0.03 0.00 -0.52 0.00 0.00 57.07 56.33 2iit s TYR 417 Cb -0.11 0.13 -0.03 0.00 0.38 0.00 0.00 41.96 42.32 2iit s TYR 417 CO 0.02 -0.64 0.04 0.42 -1.52 0.00 0.00 175.55 173.86 2iit s ILE 418 N -3.83 4.60 0.29 -3.49 -1.09 -0.79 0.50 121.20 117.39 2iit s ILE 418 Ca 0.04 -0.14 -0.06 0.00 -2.23 0.00 0.00 60.65 58.26 2iit s ILE 418 Cb 0.03 -2.95 -0.00 0.00 -1.58 0.00 0.00 42.46 37.95 2iit s ILE 418 CO -0.11 0.61 0.43 -0.94 -1.23 0.00 0.00 174.94 173.69 2iit s SER 419 N -0.93 0.48 -0.30 3.58 1.04 -0.56 -0.31 113.70 116.69 2iit s SER 419 Ca 0.14 -1.29 0.08 0.00 0.48 0.00 0.00 55.95 55.36 2iit s SER 419 Cb -0.11 0.60 0.52 0.00 0.10 0.00 0.00 66.02 67.13 2iit s SER 419 CO 0.03 -1.19 1.51 -0.46 0.98 0.00 0.00 173.24 174.11 2iit n ASN 420 N -0.92 2.61 -0.14 7.02 0.23 -1.10 -1.22 115.26 121.74 2iit n ASN 420 Ca 0.00 -3.75 -0.11 0.00 -0.53 0.00 0.00 54.58 50.19 2iit n ASN 420 Cb 0.62 -0.65 -0.02 0.00 -2.08 0.00 0.00 39.78 37.65 2iit n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2iit h GLU 421 N 1.03 0.80 -6.21 -3.83 4.81 -1.84 -3.31 114.58 106.03 2iit h GLU 421 Ca 0.26 -0.31 -0.71 0.00 -0.13 0.00 0.00 59.36 58.47 2iit h GLU 421 Cb 1.77 -0.04 0.04 0.00 0.63 0.00 0.00 28.75 31.15 2iit h GLU 421 CO 0.45 0.93 0.57 0.98 -0.73 0.00 0.00 179.01 181.21 2iit n TYR 422 N -4.31 1.63 -1.60 0.92 9.36 -1.26 -1.05 117.16 120.85 2iit n TYR 422 Ca -0.01 0.64 -0.13 0.00 3.32 0.00 0.00 57.90 61.72 2iit n TYR 422 Cb 0.37 -2.35 -0.05 0.00 -0.63 0.00 0.00 39.34 36.68 2iit n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2iit n LYS 423 N 3.34 -1.47 -2.09 2.98 5.02 -1.26 -2.13 118.16 122.55 2iit n LYS 423 Ca 0.21 0.75 -0.18 0.00 -2.02 0.00 0.00 58.31 57.07 2iit n LYS 423 Cb 0.16 -5.07 -0.03 0.00 -0.02 0.00 0.00 35.03 30.07 2iit n LYS 423 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2iit n GLY 424 N -0.36 0.32 3.36 0.72 0.00 -0.21 -4.94 105.19 104.07 2iit n GLY 424 Ca -0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.43 2iit n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2iit s MET 425 N -4.50 3.01 0.56 1.61 -1.94 -0.91 -4.92 119.30 112.21 2iit s MET 425 Ca 0.00 -1.44 0.38 0.00 -1.71 0.00 0.00 55.69 52.91 2iit s MET 425 Cb 0.00 -4.23 2.03 0.00 2.01 0.00 0.00 34.83 34.64 2iit s MET 425 CO 0.00 -1.29 2.15 -1.00 -0.01 0.00 0.00 175.02 174.87 2iit h PRO 426 N 8.93 0.00 -0.04 2.03 0.13 -1.89 -0.11 132.00 141.06 2iit h PRO 426 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2iit h PRO 426 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2iit h PRO 426 CO 1.01 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.19 2iit n GLY 427 N -1.09 0.13 3.99 1.56 0.00 -1.26 -4.88 105.19 103.64 2iit n GLY 427 Ca -0.02 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 2iit n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2iit s GLY 428 N -1.95 1.62 -0.09 -0.02 0.00 -0.06 -2.86 107.32 103.97 2iit s GLY 428 Ca 0.37 -1.47 -0.04 0.00 0.00 0.00 0.00 44.72 43.58 2iit s GLY 428 CO 0.32 -1.38 0.21 0.50 0.00 0.00 0.00 173.10 172.76 2iit s ARG 429 N -4.19 0.15 0.04 2.90 1.81 0.16 -4.14 118.95 115.67 2iit s ARG 429 Ca 0.46 0.50 0.00 0.00 -1.72 0.00 0.00 55.73 54.97 2iit s ARG 429 Cb -0.10 -0.15 -0.03 0.00 -0.45 0.00 0.00 34.95 34.23 2iit s ARG 429 CO 0.31 -0.19 -0.04 -0.80 -0.68 0.00 0.00 175.30 173.90 2iit s ASN 430 N 1.43 0.55 -0.12 0.23 0.01 -0.36 -1.17 114.94 115.51 2iit s ASN 430 Ca -0.07 -0.73 -0.19 0.00 -0.71 0.00 0.00 52.86 51.16 2iit s ASN 430 Cb -0.11 0.12 -0.04 0.00 0.41 0.00 0.00 41.25 41.63 2iit s ASN 430 CO -0.07 -0.40 0.50 -0.22 -1.51 0.00 0.00 177.10 175.40 2iit s LEU 431 N -2.14 4.26 0.28 0.60 2.96 -1.26 -1.49 118.68 121.89 2iit s LEU 431 Ca -0.04 0.84 0.10 0.00 -0.22 0.00 0.00 54.13 54.81 2iit s LEU 431 Cb -0.02 -2.74 -0.05 0.00 0.50 0.00 0.00 46.19 43.88 2iit s LEU 431 CO -0.04 -0.03 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.49 2iit s TYR 432 N 0.76 2.17 -0.08 5.38 1.51 0.18 -0.17 117.35 127.09 2iit s TYR 432 Ca 0.27 -0.44 -0.00 0.00 -1.01 0.00 0.00 57.07 55.89 2iit s TYR 432 Cb -0.15 -1.03 0.02 0.00 -0.11 0.00 0.00 41.96 40.69 2iit s TYR 432 CO 0.11 0.59 -0.05 0.21 -1.11 0.00 0.00 175.55 175.30 2iit s LYS 433 N -3.57 1.13 -0.07 -0.62 2.20 0.02 -1.27 119.74 117.56 2iit s LYS 433 Ca 0.29 -0.13 0.05 0.00 -0.36 0.00 0.00 55.97 55.82 2iit s LYS 433 Cb -0.02 -1.25 -0.01 0.00 -1.51 0.00 0.00 37.83 35.04 2iit s LYS 433 CO 0.13 -0.22 -0.21 -1.50 -0.36 0.00 0.00 175.35 173.19 2iit s ILE 434 N 1.56 2.37 -0.18 5.43 2.07 -0.47 -0.67 121.20 131.32 2iit s ILE 434 Ca 0.00 -0.95 -0.29 0.00 -1.41 0.00 0.00 60.65 58.00 2iit s ILE 434 Cb -0.13 -1.90 -0.01 0.00 0.13 0.00 0.00 42.46 40.56 2iit s ILE 434 CO -0.05 0.57 1.21 -1.58 -1.91 0.00 0.00 174.94 173.18 2iit s GLN 435 N -0.20 4.24 0.42 3.50 0.74 -0.38 -2.22 119.66 125.75 2iit s GLN 435 Ca -0.02 1.59 0.09 0.00 0.05 0.00 0.00 55.36 57.07 2iit s GLN 435 Cb -0.13 -3.73 0.92 0.00 1.10 0.00 0.00 33.01 31.16 2iit s GLN 435 CO 0.03 -0.69 2.05 -0.07 -0.55 0.00 0.00 175.29 176.06 2iit h LEU 436 N 9.65 0.35 -0.61 3.68 3.38 -1.53 -2.11 115.31 128.12 2iit h LEU 436 Ca -0.25 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2iit h LEU 436 Cb 1.09 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2iit h LEU 436 CO 0.97 0.29 -0.00 -1.54 0.09 0.00 0.00 178.44 178.25 2iit n SER 437 N -4.45 0.94 -3.12 -0.43 3.41 -1.26 -4.59 113.62 104.12 2iit n SER 437 Ca 0.01 -1.31 0.01 0.00 -0.26 0.00 0.00 58.87 57.32 2iit n SER 437 Cb 0.10 -0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.05 2iit n SER 437 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2iit s ASP 438 N -2.00 -1.30 0.30 4.04 2.15 -0.80 -5.03 116.67 114.03 2iit s ASP 438 Ca 0.42 -0.66 0.17 0.00 0.43 0.00 0.00 52.55 52.90 2iit s ASP 438 Cb 0.21 1.66 0.91 0.00 -0.30 0.00 0.00 42.92 45.41 2iit s ASP 438 CO 0.35 -0.14 1.47 -1.22 -0.17 0.00 0.00 175.17 175.45 2iit n TYR 439 N 4.27 0.57 1.42 -5.34 4.01 -1.20 -0.56 117.16 120.33 2iit n TYR 439 Ca 0.10 0.30 0.15 0.00 -0.16 0.00 0.00 57.90 58.28 2iit n TYR 439 Cb 0.58 -0.89 0.72 0.00 -0.31 0.00 0.00 39.34 39.44 2iit n TYR 439 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2iit n THR 440 N -2.12 0.00 -3.40 -0.72 -2.24 -1.26 -4.51 114.28 100.03 2iit n THR 440 Ca -0.01 -0.01 -0.44 0.00 -2.27 0.00 0.00 64.05 61.31 2iit n THR 440 Cb 0.15 -0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 67.92 2iit n THR 440 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2iit s LYS 441 N -2.56 3.00 -0.11 -0.78 -0.14 0.27 -5.02 119.74 114.41 2iit s LYS 441 Ca 0.28 -1.98 0.02 0.00 -1.36 0.00 0.00 55.97 52.93 2iit s LYS 441 Cb 0.20 -4.21 0.01 0.00 -1.68 0.00 0.00 37.83 32.16 2iit s LYS 441 CO 0.47 -1.28 -0.16 0.08 -0.76 0.00 0.00 175.35 173.70 2iit s VAL 442 N 1.04 1.58 -0.07 3.17 1.01 -1.26 -1.25 120.40 124.62 2iit s VAL 442 Ca 0.09 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.41 2iit s VAL 442 Cb -0.23 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 2iit s VAL 442 CO -0.02 0.46 -0.18 -0.89 0.00 0.00 0.00 175.10 174.47 2iit s THR 443 N 0.87 2.69 -0.26 3.92 2.01 0.16 -4.95 115.64 120.08 2iit s THR 443 Ca -0.09 -0.84 -0.19 0.00 0.31 0.00 0.00 61.69 60.88 2iit s THR 443 Cb -0.15 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 2iit s THR 443 CO -0.00 0.57 0.59 0.00 -0.69 0.00 0.00 174.62 175.09 2iit n LEU 445 N 5.66 0.33 0.00 0.00 4.77 0.76 -4.49 117.00 124.03 2iit n LEU 445 Ca -0.02 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 2iit n LEU 445 Cb 0.49 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2iit n LEU 445 CO 0.42 0.08 -0.11 -1.54 -1.33 0.00 0.00 177.39 174.91 2iit n SER 446 N -1.48 1.14 -0.18 -1.43 3.41 -1.22 -4.84 113.62 109.02 2iit n SER 446 Ca 0.06 -0.10 -0.06 0.00 -0.26 0.00 0.00 58.87 58.52 2iit n SER 446 Cb 0.34 0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 2iit n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2iit n GLU 448 N -5.43 1.79 -0.31 0.00 4.71 -1.26 -3.98 120.64 116.16 2iit n GLU 448 Ca 0.03 -1.16 0.08 0.00 -0.01 0.00 0.00 57.16 56.11 2iit n GLU 448 Cb 0.35 -1.48 0.24 0.00 -1.01 0.00 0.00 31.44 29.55 2iit n GLU 448 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 2iit h LEU 449 N 2.82 0.62 -5.00 -4.62 3.38 -1.82 -3.37 115.31 107.32 2iit h LEU 449 Ca 0.00 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 2iit h LEU 449 Cb 0.60 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.20 2iit h LEU 449 CO 0.00 0.26 -0.18 -3.20 0.09 0.00 0.00 178.44 175.41 2iit n ASN 450 N -4.82 -1.80 -0.15 -0.43 2.85 -1.26 -5.06 115.26 104.58 2iit n ASN 450 Ca 0.18 -2.11 0.28 0.00 -0.11 0.00 0.00 54.58 52.83 2iit n ASN 450 Cb 0.45 1.03 0.72 0.00 1.24 0.00 0.00 39.78 43.22 2iit n ASN 450 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2iit h PRO 451 N 3.55 0.00 0.00 1.20 0.13 -1.74 0.22 132.00 135.36 2iit h PRO 451 Ca -0.18 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.73 2iit h PRO 451 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 2iit h PRO 451 CO -0.05 0.00 -1.15 0.93 -0.23 0.00 0.00 178.00 177.50 2iit h GLU 452 N 0.00 0.00 0.00 0.86 5.08 -1.97 -3.37 114.58 115.18 2iit h GLU 452 Ca 0.41 -0.01 -0.31 0.00 -1.00 0.00 0.00 59.36 58.45 2iit h GLU 452 Cb 1.72 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.92 2iit h GLU 452 CO -0.00 0.90 -2.31 -2.13 -1.00 0.00 0.00 179.01 174.46 2iit n ARG 453 N -3.29 0.73 -3.95 2.33 0.63 -0.83 -4.63 116.66 107.66 2iit n ARG 453 Ca -0.04 -0.04 -0.31 0.00 -0.92 0.00 0.00 57.85 56.55 2iit n ARG 453 Cb 0.96 -1.51 -0.15 0.00 0.45 0.00 0.00 32.46 32.21 2iit n ARG 453 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2iit n GLN 455 N 4.61 0.89 -3.62 0.00 6.02 0.13 -4.42 117.38 120.99 2iit n GLN 455 Ca -0.10 -0.77 -0.29 0.00 -0.01 0.00 0.00 57.00 55.83 2iit n GLN 455 Cb 0.43 -0.69 -0.15 0.00 1.02 0.00 0.00 30.24 30.86 2iit n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2iit s TYR 456 N -0.32 0.90 0.11 1.08 6.14 -1.05 -0.67 117.35 123.55 2iit s TYR 456 Ca 0.00 -1.27 0.05 0.00 0.64 0.00 0.00 57.07 56.50 2iit s TYR 456 Cb 0.00 -1.24 -0.04 0.00 0.42 0.00 0.00 41.96 41.10 2iit s TYR 456 CO 0.00 -0.85 0.01 0.71 0.64 0.00 0.00 175.55 176.07 2iit s TYR 457 N 1.85 2.99 0.06 4.97 2.02 -0.32 -0.84 117.35 128.08 2iit s TYR 457 Ca 0.10 -0.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.78 2iit s TYR 457 Cb -0.17 -1.51 -0.03 0.00 -0.40 0.00 0.00 41.96 39.85 2iit s TYR 457 CO -0.31 0.49 -0.08 0.45 -1.57 0.00 0.00 175.55 174.54 2iit s SER 458 N -2.50 0.98 0.07 2.29 0.15 -0.12 -4.65 113.70 109.92 2iit s SER 458 Ca 0.27 -0.66 0.02 0.00 0.70 0.00 0.00 55.95 56.28 2iit s SER 458 Cb -0.11 0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 64.21 2iit s SER 458 CO 0.19 -0.26 -0.08 0.54 1.20 0.00 0.00 173.24 174.83 2iit s VAL 459 N -1.90 0.67 -0.24 4.45 0.11 -1.26 -0.33 120.40 121.90 2iit s VAL 459 Ca -0.04 -1.39 -0.03 0.00 -2.93 0.00 0.00 61.98 57.59 2iit s VAL 459 Cb -0.06 -1.01 0.08 0.00 -1.53 0.00 0.00 36.38 33.86 2iit s VAL 459 CO -0.01 -0.52 0.09 -0.55 -3.33 0.00 0.00 175.10 170.78 2iit s SER 460 N -2.08 3.22 0.24 3.54 0.15 -0.64 -4.98 113.70 113.15 2iit s SER 460 Ca -0.02 -1.08 -0.14 0.00 0.70 0.00 0.00 55.95 55.41 2iit s SER 460 Cb -0.05 -0.52 -0.08 0.00 -1.71 0.00 0.00 66.02 63.66 2iit s SER 460 CO -0.01 -0.37 0.63 -0.36 1.20 0.00 0.00 173.24 174.33 2iit s PHE 461 N 1.93 3.48 1.22 3.44 0.40 -1.26 -1.19 117.98 125.99 2iit s PHE 461 Ca 0.05 1.09 -0.19 0.00 -0.60 0.00 0.00 56.93 57.28 2iit s PHE 461 Cb -0.17 -2.42 0.29 0.00 0.51 0.00 0.00 43.02 41.24 2iit s PHE 461 CO -0.20 0.26 1.09 -1.54 0.70 0.00 0.00 175.22 175.53 2iit s SER 462 N -2.09 0.75 0.25 1.36 1.04 -0.26 -4.82 113.70 109.92 2iit s SER 462 Ca 0.47 0.68 -0.05 0.00 0.48 0.00 0.00 55.95 57.53 2iit s SER 462 Cb -0.12 -0.96 0.47 0.00 0.10 0.00 0.00 66.02 65.51 2iit s SER 462 CO 0.19 -4.23 1.67 0.11 0.98 0.00 0.00 173.24 171.96 2iit h LYS 463 N -2.66 0.21 -0.33 4.02 1.79 -1.71 -1.51 116.57 116.38 2iit h LYS 463 Ca -0.45 -0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 57.91 2iit h LYS 463 Cb 1.30 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.85 2iit h LYS 463 CO 0.34 0.14 0.00 0.39 -1.08 0.00 0.00 179.45 179.24 2iit n GLU 464 N -5.22 2.48 -2.13 3.15 -0.58 -1.26 -4.94 120.64 112.14 2iit n GLU 464 Ca 0.15 -2.98 -0.20 0.00 -0.42 0.00 0.00 57.16 53.71 2iit n GLU 464 Cb 0.48 -1.85 -0.03 0.00 -0.57 0.00 0.00 31.44 29.47 2iit n GLU 464 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2iit n ALA 465 N -0.78 -0.50 0.11 0.62 0.00 -0.57 -4.87 120.51 114.53 2iit n ALA 465 Ca 0.28 0.21 -0.03 0.00 0.00 0.00 0.00 53.44 53.89 2iit n ALA 465 Cb 0.99 -2.07 0.12 0.00 0.00 0.00 0.00 19.45 18.48 2iit n ALA 465 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2iit h LYS 466 N 0.00 0.06 -4.93 0.00 3.64 -1.80 -3.42 116.57 110.12 2iit h LYS 466 Ca -0.45 -0.05 -0.30 0.00 -1.27 0.00 0.00 60.65 58.57 2iit h LYS 466 Cb 1.33 0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 33.01 2iit h LYS 466 CO 0.57 0.72 -0.69 0.71 -2.27 0.00 0.00 179.45 178.48 2iit s TYR 467 N -3.51 1.22 -0.16 1.91 2.02 -1.26 -0.48 117.35 117.09 2iit s TYR 467 Ca -0.02 -0.87 -0.15 0.00 -0.37 0.00 0.00 57.07 55.67 2iit s TYR 467 Cb 0.12 -0.67 0.04 0.00 -0.40 0.00 0.00 41.96 41.06 2iit s TYR 467 CO 0.78 -0.05 0.42 1.52 -1.57 0.00 0.00 175.55 176.66 2iit s TYR 468 N -3.47 -0.47 -0.21 2.71 1.13 -0.52 -1.10 117.35 115.41 2iit s TYR 468 Ca 0.19 1.13 -0.12 0.00 -1.41 0.00 0.00 57.07 56.87 2iit s TYR 468 Cb 0.04 0.16 -0.05 0.00 -1.10 0.00 0.00 41.96 41.02 2iit s TYR 468 CO 0.01 -0.22 0.22 -1.14 -2.51 0.00 0.00 175.55 171.91 2iit s GLN 469 N 0.24 4.15 -0.08 -3.49 0.74 -0.34 -0.14 119.66 120.75 2iit s GLN 469 Ca -0.00 -0.11 -0.11 0.00 0.05 0.00 0.00 55.36 55.19 2iit s GLN 469 Cb -0.03 -3.49 -0.05 0.00 1.10 0.00 0.00 33.01 30.54 2iit s GLN 469 CO 0.00 0.13 0.27 -0.51 -0.55 0.00 0.00 175.29 174.63 2iit s LEU 470 N 0.85 4.40 -0.27 3.68 1.43 0.16 -1.63 118.68 127.31 2iit s LEU 470 Ca 0.11 0.67 0.02 0.00 -1.03 0.00 0.00 54.13 53.91 2iit s LEU 470 Cb -0.13 -2.32 0.07 0.00 0.03 0.00 0.00 46.19 43.83 2iit s LEU 470 CO 0.04 0.33 -0.06 -0.60 0.23 0.00 0.00 176.35 176.29 2iit s ARG 471 N -0.82 1.85 -0.19 1.70 3.52 0.55 -1.68 118.95 123.88 2iit s ARG 471 Ca 0.19 -1.31 -0.13 0.00 -0.13 0.00 0.00 55.73 54.34 2iit s ARG 471 Cb -0.14 -2.81 -0.05 0.00 -1.56 0.00 0.00 34.95 30.40 2iit s ARG 471 CO 0.08 -0.66 0.27 0.00 -0.81 0.00 0.00 175.30 174.18 2iit n SER 473 N 3.89 1.96 0.00 0.00 3.41 -0.02 -1.31 113.62 121.56 2iit n SER 473 Ca -0.12 -1.74 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 2iit n SER 473 Cb 0.52 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 2iit n SER 473 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2iit n GLY 474 N -0.09 0.93 0.00 5.00 0.00 -1.26 -0.96 105.19 108.82 2iit n GLY 474 Ca 0.03 -0.89 0.15 0.00 0.00 0.00 0.00 46.02 45.30 2iit n GLY 474 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2iit n PRO 475 N -0.33 0.30 -0.19 1.61 -0.04 -0.71 0.18 135.00 135.83 2iit n PRO 475 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2iit n PRO 475 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2iit n PRO 475 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2iit n GLY 476 N 1.35 0.59 3.76 0.55 0.00 -0.33 -4.56 105.19 106.54 2iit n GLY 476 Ca 0.12 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 2iit n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2iit s LEU 477 N 0.00 4.45 0.29 0.99 1.43 -1.26 -4.59 118.68 119.99 2iit s LEU 477 Ca 0.00 2.50 -0.28 0.00 -1.03 0.00 0.00 54.13 55.32 2iit s LEU 477 Cb 0.00 -3.63 -0.14 0.00 0.03 0.00 0.00 46.19 42.45 2iit s LEU 477 CO 0.00 -0.44 1.00 -2.65 0.23 0.00 0.00 176.35 174.48 2iit n PRO 478 N 1.51 1.32 -4.09 1.29 -0.02 -1.26 -4.81 135.00 128.95 2iit n PRO 478 Ca 0.02 0.46 -0.22 0.00 -2.02 0.00 0.00 63.50 61.74 2iit n PRO 478 Cb 0.43 -1.83 -0.17 0.00 -0.02 0.00 0.00 33.50 31.91 2iit n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2iit s LEU 479 N 0.49 1.18 -0.17 2.45 2.96 -0.43 -4.31 118.68 120.84 2iit s LEU 479 Ca 0.59 -0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 54.31 2iit s LEU 479 Cb -0.70 -0.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.43 2iit s LEU 479 CO 0.60 -0.08 -0.07 -0.31 -1.32 0.00 0.00 176.35 175.16 2iit s TYR 480 N 1.23 2.92 0.07 5.38 1.51 0.22 -1.06 117.35 127.63 2iit s TYR 480 Ca -0.06 -0.69 0.04 0.00 -1.01 0.00 0.00 57.07 55.35 2iit s TYR 480 Cb -0.14 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.71 2iit s TYR 480 CO -0.02 -0.32 -0.12 0.95 -1.11 0.00 0.00 175.55 174.94 2iit s THR 481 N 0.82 0.92 -0.11 -0.71 -4.23 -0.68 0.07 115.64 111.73 2iit s THR 481 Ca -0.02 -1.31 -0.02 0.00 -1.18 0.00 0.00 61.69 59.15 2iit s THR 481 Cb -0.15 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.66 2iit s THR 481 CO 0.01 -0.34 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.51 2iit s LEU 482 N -1.84 3.39 0.13 4.79 2.96 -0.57 0.37 118.68 127.91 2iit s LEU 482 Ca -0.03 0.02 0.05 0.00 -0.22 0.00 0.00 54.13 53.95 2iit s LEU 482 Cb -0.09 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 2iit s LEU 482 CO 0.01 0.30 -0.12 -1.00 -1.32 0.00 0.00 176.35 174.23 2iit s HIS 483 N -0.44 1.29 -0.23 5.38 3.76 0.80 -0.25 115.29 125.60 2iit s HIS 483 Ca 0.07 -0.66 -0.10 0.00 -0.15 0.00 0.00 55.06 54.22 2iit s HIS 483 Cb -0.12 -0.66 -0.05 0.00 1.11 0.00 0.00 32.58 32.86 2iit s HIS 483 CO 0.02 0.10 0.14 0.45 -0.85 0.00 0.00 174.74 174.60 2iit s SER 484 N -2.80 5.94 0.26 1.40 0.15 -0.68 -1.44 113.70 116.53 2iit s SER 484 Ca 0.12 0.07 0.09 0.00 0.70 0.00 0.00 55.95 56.93 2iit s SER 484 Cb -0.01 -2.07 0.33 0.00 -1.71 0.00 0.00 66.02 62.56 2iit s SER 484 CO 0.02 0.07 1.60 0.28 1.20 0.00 0.00 173.24 176.40 2iit h SER 485 N 7.49 0.06 -0.64 5.45 0.02 -1.04 0.29 113.55 125.17 2iit h SER 485 Ca -0.38 -0.03 0.08 0.00 -0.84 0.00 0.00 61.79 60.62 2iit h SER 485 Cb 1.17 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.65 2iit h SER 485 CO 0.65 0.66 0.43 1.62 -1.14 0.00 0.00 176.83 179.05 2iit h VAL 486 N 0.04 0.95 0.00 2.27 3.04 -1.90 -3.26 116.25 117.38 2iit h VAL 486 Ca -0.01 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 2iit h VAL 486 Cb 1.11 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 2iit h VAL 486 CO 0.08 0.10 0.00 -0.46 -1.01 0.00 0.00 177.57 176.28 2iit n ASN 487 N -4.48 0.36 -3.10 3.17 2.04 -1.23 -5.03 115.26 107.00 2iit n ASN 487 Ca 0.10 -1.18 -0.19 0.00 -0.44 0.00 0.00 54.58 52.87 2iit n ASN 487 Cb 0.31 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.55 2iit n ASN 487 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 2iit n ASP 488 N -0.09 -3.36 -4.87 0.53 10.43 0.10 -4.95 116.55 114.34 2iit n ASP 488 Ca 0.00 -0.19 -0.34 0.00 2.57 0.00 0.00 54.79 56.84 2iit n ASP 488 Cb 0.45 -2.82 -0.05 0.00 1.84 0.00 0.00 41.12 40.53 2iit n ASP 488 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2iit s LYS 489 N -5.72 3.73 -0.16 -1.24 -0.14 -1.17 -4.85 119.74 110.18 2iit s LYS 489 Ca 0.28 0.13 -0.29 0.00 -1.36 0.00 0.00 55.97 54.73 2iit s LYS 489 Cb -0.15 -2.92 -0.02 0.00 -1.68 0.00 0.00 37.83 33.07 2iit s LYS 489 CO 0.34 0.51 1.32 0.20 -0.76 0.00 0.00 175.35 176.96 2iit s GLY 490 N -2.00 1.60 -0.02 -3.33 0.00 -1.26 -1.68 107.32 100.63 2iit s GLY 490 Ca 0.37 0.49 -0.20 0.00 0.00 0.00 0.00 44.72 45.38 2iit s GLY 490 CO 0.20 2.58 0.96 1.41 0.00 0.00 0.00 173.10 178.25 2iit h LEU 491 N 9.90 0.57 0.00 0.66 3.38 -0.96 -3.48 115.31 125.37 2iit h LEU 491 Ca -0.28 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 56.78 2iit h LEU 491 Cb 1.11 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2iit h LEU 491 CO 0.97 1.43 0.00 -2.11 0.09 0.00 0.00 178.44 178.82 2iit n ARG 492 N -4.06 0.00 -3.22 1.13 1.85 -1.17 -5.02 116.66 106.17 2iit n ARG 492 Ca -0.14 0.00 -0.39 0.00 -1.00 0.00 0.00 57.85 56.33 2iit n ARG 492 Cb 0.85 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 32.21 2iit n ARG 492 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2iit s VAL 493 N -2.00 5.13 -0.14 8.89 1.01 -1.26 -1.51 120.40 130.53 2iit s VAL 493 Ca 0.00 1.11 -0.05 0.00 0.00 0.00 0.00 61.98 63.04 2iit s VAL 493 Cb 0.00 -3.89 -0.25 0.00 0.00 0.00 0.00 36.38 32.24 2iit s VAL 493 CO 0.00 0.28 0.28 0.18 0.00 0.00 0.00 175.10 175.84 2iit n LEU 494 N 3.87 2.66 -3.64 3.92 4.77 0.11 -4.94 117.00 123.74 2iit n LEU 494 Ca -0.05 0.16 -0.03 0.00 -0.03 0.00 0.00 56.01 56.06 2iit n LEU 494 Cb 0.51 -1.06 -0.05 0.00 -2.33 0.00 0.00 43.42 40.49 2iit n LEU 494 CO 0.44 0.86 0.30 -0.70 -1.33 0.00 0.00 177.39 176.96 2iit s GLU 495 N -2.55 0.61 0.00 3.23 2.56 -1.04 -4.99 118.70 116.51 2iit s GLU 495 Ca -0.24 1.37 0.09 0.00 0.00 0.00 0.00 54.97 56.19 2iit s GLU 495 Cb 0.07 0.64 0.03 0.00 2.00 0.00 0.00 34.13 36.87 2iit s GLU 495 CO 0.75 -0.18 0.68 -0.40 -0.56 0.00 0.00 175.26 175.55 2iit n ASP 496 N 5.08 1.42 -2.37 -1.70 5.75 -1.26 -0.61 116.55 122.86 2iit n ASP 496 Ca -0.14 -1.21 -0.19 0.00 -0.01 0.00 0.00 54.79 53.23 2iit n ASP 496 Cb 0.52 0.26 0.01 0.00 -1.03 0.00 0.00 41.12 40.88 2iit n ASP 496 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2iit n ASN 497 N 0.08 -5.49 -0.32 -1.12 3.02 -1.26 -4.83 115.26 105.34 2iit n ASN 497 Ca 0.04 -0.12 -0.01 0.00 -0.03 0.00 0.00 54.58 54.46 2iit n ASN 497 Cb 0.21 -4.45 0.12 0.00 -0.61 0.00 0.00 39.78 35.05 2iit n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2iit h SER 498 N -0.55 0.93 0.03 6.41 4.64 -1.95 -1.56 113.55 121.51 2iit h SER 498 Ca -0.46 -0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.89 2iit h SER 498 Cb 1.33 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 63.16 2iit h SER 498 CO 0.51 0.63 -0.36 0.00 -0.87 0.00 0.00 176.83 176.74 2iit h ALA 499 N 1.37 -0.57 0.15 5.18 0.00 -1.99 -0.31 119.26 123.10 2iit h ALA 499 Ca 0.36 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 2iit h ALA 499 Cb 0.04 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2iit h ALA 499 CO -0.13 -0.89 -0.11 1.25 0.00 0.00 0.00 179.25 179.36 2iit h LEU 500 N -0.54 -0.29 -1.06 0.00 5.85 -1.78 -1.52 115.31 115.97 2iit h LEU 500 Ca 0.05 0.02 0.27 0.00 0.84 0.00 0.00 57.88 59.07 2iit h LEU 500 Cb 0.61 0.09 -0.13 0.00 0.37 0.00 0.00 40.66 41.60 2iit h LEU 500 CO -0.27 -0.18 0.60 -0.78 -0.34 0.00 0.00 178.44 177.47 2iit h ASP 501 N -0.27 0.59 0.07 1.25 3.58 -0.94 0.37 116.42 121.08 2iit h ASP 501 Ca -0.01 0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 2iit h ASP 501 Cb 0.24 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2iit h ASP 501 CO -0.00 0.03 -0.04 0.50 -2.88 0.00 0.00 179.24 176.85 2iit h LYS 502 N 0.48 -0.10 -0.38 0.28 3.11 -0.09 -2.93 116.57 116.94 2iit h LYS 502 Ca 0.67 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.51 2iit h LYS 502 Cb 1.42 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 32.66 2iit h LYS 502 CO -0.49 0.06 0.22 0.52 -2.81 0.00 0.00 179.45 176.95 2iit h MET 503 N -0.23 0.53 0.00 1.90 2.86 0.34 -2.66 114.93 117.66 2iit h MET 503 Ca -0.01 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2iit h MET 503 Cb 0.20 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2iit h MET 503 CO 0.02 0.42 0.00 1.28 1.06 0.00 0.00 176.91 179.68 2iit n LEU 504 N -4.76 0.00 -0.10 1.22 4.77 0.77 -2.40 117.00 116.49 2iit n LEU 504 Ca -0.00 0.40 -0.10 0.00 -0.03 0.00 0.00 56.01 56.27 2iit n LEU 504 Cb 0.07 -0.40 0.03 0.00 -2.33 0.00 0.00 43.42 40.79 2iit n LEU 504 CO 0.35 -0.35 0.61 1.56 -1.33 0.00 0.00 177.39 178.24 2iit h GLN 505 N 0.00 0.85 -0.86 3.23 1.08 -1.28 -2.96 115.11 115.16 2iit h GLN 505 Ca 0.00 -0.40 -0.05 0.00 -1.45 0.00 0.00 58.65 56.75 2iit h GLN 505 Cb 0.04 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 2iit h GLN 505 CO 0.00 1.04 0.06 0.09 -0.95 0.00 0.00 178.83 179.08 2iit n ASN 506 N -4.07 3.14 -4.06 1.46 3.02 -1.01 -4.84 115.26 108.90 2iit n ASN 506 Ca -0.01 -2.47 -0.21 0.00 -0.03 0.00 0.00 54.58 51.86 2iit n ASN 506 Cb 0.50 -0.60 -0.15 0.00 -0.61 0.00 0.00 39.78 38.92 2iit n ASN 506 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2iit s VAL 507 N -1.70 0.91 -1.00 2.41 1.01 -1.12 -3.28 120.40 117.63 2iit s VAL 507 Ca 0.24 -0.48 -0.22 0.00 0.00 0.00 0.00 61.98 61.52 2iit s VAL 507 Cb 0.19 -0.77 0.06 0.00 0.00 0.00 0.00 36.38 35.86 2iit s VAL 507 CO 0.06 0.26 1.40 -1.10 0.00 0.00 0.00 175.10 175.72 2iit s GLN 508 N -0.17 3.58 0.24 2.72 -0.21 -0.18 -4.99 119.66 120.65 2iit s GLN 508 Ca 0.03 -1.20 -0.19 0.00 0.02 0.00 0.00 55.36 54.02 2iit s GLN 508 Cb -0.05 -5.27 -0.08 0.00 1.00 0.00 0.00 33.01 28.60 2iit s GLN 508 CO -0.00 -2.14 0.72 -1.64 -2.12 0.00 0.00 175.29 170.11 2iit s MET 509 N 4.64 4.20 0.83 2.91 -1.94 -1.26 -4.18 119.30 124.50 2iit s MET 509 Ca 0.44 0.82 -0.12 0.00 -1.71 0.00 0.00 55.69 55.12 2iit s MET 509 Cb -0.01 -2.80 0.09 0.00 2.01 0.00 0.00 34.83 34.12 2iit s MET 509 CO -0.09 0.36 1.11 -1.25 -0.01 0.00 0.00 175.02 175.14 2iit s PRO 510 N -2.15 1.78 0.31 2.03 0.04 -1.26 -4.46 135.00 131.29 2iit s PRO 510 Ca 0.45 0.49 0.09 0.00 0.04 0.00 0.00 61.00 62.07 2iit s PRO 510 Cb -0.15 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2iit s PRO 510 CO 0.20 -1.80 0.08 -1.54 0.04 0.00 0.00 177.00 173.98 2iit s SER 511 N -3.99 4.63 -0.06 6.66 1.04 -0.20 -4.92 113.70 116.87 2iit s SER 511 Ca 0.62 -0.72 0.05 0.00 0.48 0.00 0.00 55.95 56.38 2iit s SER 511 Cb -0.14 -0.79 -0.01 0.00 0.10 0.00 0.00 66.02 65.18 2iit s SER 511 CO 0.54 -0.17 -0.22 -0.75 0.98 0.00 0.00 173.24 173.62 2iit s LYS 512 N -3.77 2.35 -0.15 4.02 2.20 -1.26 0.05 119.74 123.18 2iit s LYS 512 Ca 0.35 -0.79 0.02 0.00 -0.36 0.00 0.00 55.97 55.19 2iit s LYS 512 Cb -0.04 -1.96 0.01 0.00 -1.51 0.00 0.00 37.83 34.33 2iit s LYS 512 CO 0.21 0.29 -0.21 0.21 -0.36 0.00 0.00 175.35 175.50 2iit s LYS 513 N 0.01 2.96 -0.22 4.03 2.20 -0.30 -4.94 119.74 123.48 2iit s LYS 513 Ca -0.07 -0.83 -0.01 0.00 -0.36 0.00 0.00 55.97 54.71 2iit s LYS 513 Cb -0.14 -2.45 0.01 0.00 -1.51 0.00 0.00 37.83 33.75 2iit s LYS 513 CO 0.04 -0.09 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.67 2iit s LEU 514 N 1.00 2.74 0.00 5.43 2.96 -1.26 -0.36 118.68 129.19 2iit s LEU 514 Ca -0.03 -0.67 0.00 0.00 -0.22 0.00 0.00 54.13 53.21 2iit s LEU 514 Cb -0.15 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 44.93 2iit s LEU 514 CO -0.06 -0.05 0.00 -0.67 -1.32 0.00 0.00 176.35 174.25 2iit n ASP 515 N 4.68 0.00 -4.06 3.68 4.64 -0.66 -5.02 116.55 119.82 2iit n ASP 515 Ca -0.18 -0.94 -0.09 0.00 -1.38 0.00 0.00 54.79 52.19 2iit n ASP 515 Cb 0.49 0.00 -0.09 0.00 -1.04 0.00 0.00 41.12 40.48 2iit n ASP 515 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 2iit s PHE 516 N -7.10 0.62 0.13 -0.67 -0.71 -1.26 -0.82 117.98 108.17 2iit s PHE 516 Ca 0.00 -1.01 0.07 0.00 -1.04 0.00 0.00 56.93 54.95 2iit s PHE 516 Cb 0.00 -0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.48 2iit s PHE 516 CO 0.00 -0.58 -0.17 0.96 -1.34 0.00 0.00 175.22 174.09 2iit s ILE 517 N -4.00 1.53 -0.24 -4.49 -4.36 -0.57 -4.94 121.20 104.14 2iit s ILE 517 Ca 0.19 -1.72 -0.08 0.00 -0.26 0.00 0.00 60.65 58.78 2iit s ILE 517 Cb 0.06 -1.60 -0.04 0.00 1.25 0.00 0.00 42.46 42.13 2iit s ILE 517 CO -0.01 -0.31 0.10 -0.63 0.24 0.00 0.00 174.94 174.34 2iit s ILE 518 N -1.87 4.75 -0.09 8.37 1.01 -1.26 -1.06 121.20 131.05 2iit s ILE 518 Ca 0.10 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.72 2iit s ILE 518 Cb -0.06 -3.21 0.02 0.00 0.01 0.00 0.00 42.46 39.22 2iit s ILE 518 CO 0.04 0.35 -0.09 -0.76 0.00 0.00 0.00 174.94 174.48 2iit s LEU 519 N 1.27 1.39 -1.42 2.97 1.43 0.10 -4.79 118.68 119.63 2iit s LEU 519 Ca 0.06 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 52.79 2iit s LEU 519 Cb -0.14 -0.82 0.04 0.00 0.03 0.00 0.00 46.19 45.29 2iit s LEU 519 CO 0.05 -0.05 0.86 0.59 0.23 0.00 0.00 176.35 178.02 2iit n ASN 520 N 4.44 -3.14 0.00 2.29 4.13 -1.26 -1.06 115.26 120.66 2iit n ASN 520 Ca -0.17 -0.79 0.00 0.00 1.68 0.00 0.00 54.58 55.30 2iit n ASN 520 Cb 0.51 -4.03 0.00 0.00 -1.54 0.00 0.00 39.78 34.72 2iit n ASN 520 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2iit n GLU 521 N -4.51 -0.23 -4.71 3.52 -0.58 -1.26 -4.97 120.64 107.90 2iit n GLU 521 Ca -0.12 0.06 -0.33 0.00 -0.42 0.00 0.00 57.16 56.34 2iit n GLU 521 Cb 0.60 -3.60 -0.12 0.00 -0.57 0.00 0.00 31.44 27.75 2iit n GLU 521 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2iit s THR 522 N -2.28 3.48 0.15 2.62 2.01 -0.22 -5.10 115.64 116.29 2iit s THR 522 Ca 0.00 -0.56 -0.28 0.00 0.31 0.00 0.00 61.69 61.16 2iit s THR 522 Cb 0.00 -2.41 -0.07 0.00 0.01 0.00 0.00 72.50 70.03 2iit s THR 522 CO 0.00 0.59 0.87 -0.54 -0.69 0.00 0.00 174.62 174.85 2iit s LYS 523 N -0.73 4.67 -0.11 4.92 1.02 -1.26 -0.72 119.74 127.53 2iit s LYS 523 Ca 0.11 1.31 -0.01 0.00 0.02 0.00 0.00 55.97 57.40 2iit s LYS 523 Cb -0.11 -3.32 0.03 0.00 -0.52 0.00 0.00 37.83 33.91 2iit s LYS 523 CO 0.01 0.40 -0.03 -0.06 -0.92 0.00 0.00 175.35 174.76 2iit s PHE 524 N -0.63 1.08 0.48 3.18 0.40 -0.23 -4.95 117.98 117.31 2iit s PHE 524 Ca 0.41 -0.51 -0.17 0.00 -0.60 0.00 0.00 56.93 56.06 2iit s PHE 524 Cb -0.23 -1.02 -0.08 0.00 0.51 0.00 0.00 43.02 42.19 2iit s PHE 524 CO 0.28 -0.44 0.95 -1.58 0.70 0.00 0.00 175.22 175.13 2iit s TRP 525 N 1.84 3.43 0.13 0.36 0.52 -1.26 -1.51 118.94 122.45 2iit s TRP 525 Ca 0.04 1.44 -0.12 0.00 0.02 0.00 0.00 56.10 57.48 2iit s TRP 525 Cb -0.13 -2.76 0.01 0.00 -1.15 0.00 0.00 33.47 29.45 2iit s TRP 525 CO -0.07 -0.28 0.32 1.52 0.02 0.00 0.00 176.95 178.46 2iit s TYR 526 N -2.50 0.04 0.07 -1.98 -0.85 0.00 -1.44 117.35 110.69 2iit s TYR 526 Ca 0.58 -0.41 0.02 0.00 -0.52 0.00 0.00 57.07 56.75 2iit s TYR 526 Cb -0.10 0.10 -0.03 0.00 0.38 0.00 0.00 41.96 42.31 2iit s TYR 526 CO 0.28 -0.67 -0.08 1.14 -1.52 0.00 0.00 175.55 174.70 2iit s GLN 527 N -3.86 0.68 -0.03 -3.49 -2.07 -0.92 -1.65 119.66 108.31 2iit s GLN 527 Ca 0.07 -1.01 0.00 0.00 -1.82 0.00 0.00 55.36 52.61 2iit s GLN 527 Cb 0.03 -0.30 0.03 0.00 -1.09 0.00 0.00 33.01 31.67 2iit s GLN 527 CO -0.08 0.03 -0.00 -1.64 -1.32 0.00 0.00 175.29 172.28 2iit s MET 528 N -2.50 0.30 -0.44 9.60 -1.94 0.52 -2.17 119.30 122.65 2iit s MET 528 Ca -0.01 0.06 -0.19 0.00 -1.71 0.00 0.00 55.69 53.85 2iit s MET 528 Cb -0.04 -0.46 0.03 0.00 2.01 0.00 0.00 34.83 36.37 2iit s MET 528 CO -0.01 -0.12 0.56 0.42 -0.01 0.00 0.00 175.02 175.85 2iit s ILE 529 N 0.95 4.94 -0.09 2.53 -1.09 0.72 -1.15 121.20 128.00 2iit s ILE 529 Ca -0.10 -0.18 -0.08 0.00 -2.23 0.00 0.00 60.65 58.06 2iit s ILE 529 Cb -0.13 -4.16 -0.04 0.00 -1.58 0.00 0.00 42.46 36.55 2iit s ILE 529 CO -0.02 -0.57 0.19 -0.76 -1.23 0.00 0.00 174.94 172.55 2iit s LEU 530 N 2.52 4.40 0.92 2.97 1.43 0.11 -2.13 118.68 128.90 2iit s LEU 530 Ca 0.17 0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 53.72 2iit s LEU 530 Cb -0.16 -2.19 0.15 0.00 0.03 0.00 0.00 46.19 44.01 2iit s LEU 530 CO 0.16 0.39 1.14 -2.84 0.23 0.00 0.00 176.35 175.42 2iit s PRO 531 N -1.10 0.95 0.72 1.29 0.02 -1.26 -1.03 135.00 134.60 2iit s PRO 531 Ca 0.17 1.48 -0.15 0.00 0.02 0.00 0.00 61.00 62.52 2iit s PRO 531 Cb -0.13 -1.73 0.04 0.00 0.02 0.00 0.00 34.50 32.70 2iit s PRO 531 CO 0.06 -2.65 1.21 -2.14 -0.33 0.00 0.00 177.00 173.15 2iit s PRO 532 N -4.65 2.19 -1.34 5.54 0.02 -1.26 -2.52 135.00 132.97 2iit s PRO 532 Ca 0.67 1.76 -0.10 0.00 0.02 0.00 0.00 61.00 63.34 2iit s PRO 532 Cb -0.23 -1.84 0.07 0.00 0.02 0.00 0.00 34.50 32.53 2iit s PRO 532 CO 0.58 -1.80 0.54 0.72 -0.33 0.00 0.00 177.00 176.72 2iit n HIS 533 N -2.67 -1.83 -1.50 6.54 8.25 -1.26 -4.82 115.22 117.93 2iit n HIS 533 Ca 0.13 0.51 -0.45 0.00 -0.26 0.00 0.00 57.72 57.66 2iit n HIS 533 Cb 0.50 -3.14 -0.01 0.00 1.12 0.00 0.00 29.99 28.46 2iit n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2iit n PHE 534 N -4.05 0.30 -3.76 4.41 7.35 -1.05 -4.96 117.46 115.70 2iit n PHE 534 Ca -0.01 0.75 -0.28 0.00 -0.76 0.00 0.00 57.45 57.14 2iit n PHE 534 Cb 0.54 -2.10 -0.16 0.00 0.35 0.00 0.00 39.48 38.11 2iit n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2iit s ASP 535 N -0.79 3.15 0.06 -2.13 3.68 -1.26 -5.00 116.67 114.38 2iit s ASP 535 Ca 0.61 -0.95 0.04 0.00 2.13 0.00 0.00 52.55 54.38 2iit s ASP 535 Cb -0.73 -0.69 0.22 0.00 -1.45 0.00 0.00 42.92 40.27 2iit s ASP 535 CO 0.58 -0.31 1.12 2.29 0.13 0.00 0.00 175.17 178.99 2iit n LYS 536 N 4.99 0.03 0.00 4.34 2.85 -1.26 -1.25 118.16 127.85 2iit n LYS 536 Ca -0.09 0.52 0.14 0.00 -1.05 0.00 0.00 58.31 57.83 2iit n LYS 536 Cb 0.46 -1.59 0.48 0.00 -0.65 0.00 0.00 35.03 33.73 2iit n LYS 536 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2iit n SER 537 N -1.64 0.94 -4.84 -5.58 3.41 -1.26 -4.38 113.62 100.27 2iit n SER 537 Ca -0.00 -0.92 -0.22 0.00 -0.26 0.00 0.00 58.87 57.47 2iit n SER 537 Cb 0.01 0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 63.98 2iit n SER 537 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2iit s LYS 538 N -2.39 2.88 -0.37 4.33 1.02 -0.38 -5.04 119.74 119.80 2iit s LYS 538 Ca 0.29 -1.12 -0.10 0.00 0.02 0.00 0.00 55.97 55.06 2iit s LYS 538 Cb 0.20 -2.55 0.03 0.00 -0.52 0.00 0.00 37.83 34.99 2iit s LYS 538 CO 0.47 0.31 0.18 0.15 -0.92 0.00 0.00 175.35 175.54 2iit s LYS 539 N -3.89 2.76 0.01 1.68 -0.14 -1.26 -4.23 119.74 114.67 2iit s LYS 539 Ca 0.35 -1.12 -0.03 0.00 -1.36 0.00 0.00 55.97 53.82 2iit s LYS 539 Cb -0.07 -3.67 -0.04 0.00 -1.68 0.00 0.00 37.83 32.36 2iit s LYS 539 CO 0.26 -0.70 0.21 0.71 -0.76 0.00 0.00 175.35 175.06 2iit s TYR 540 N 1.51 3.54 0.50 3.18 2.02 0.27 -4.53 117.35 123.84 2iit s TYR 540 Ca 0.01 0.38 -0.20 0.00 -0.37 0.00 0.00 57.07 56.89 2iit s TYR 540 Cb -0.19 -1.85 -0.08 0.00 -0.40 0.00 0.00 41.96 39.44 2iit s TYR 540 CO 0.06 0.62 1.07 -1.25 -1.57 0.00 0.00 175.55 174.48 2iit s PRO 541 N -2.05 3.67 -0.05 -1.71 0.04 -1.26 -1.33 135.00 132.31 2iit s PRO 541 Ca 0.29 1.44 0.05 0.00 0.04 0.00 0.00 61.00 62.82 2iit s PRO 541 Cb -0.13 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.33 2iit s PRO 541 CO 0.20 -0.55 -0.20 -1.17 0.04 0.00 0.00 177.00 175.32 2iit s LEU 542 N -3.56 1.97 -0.19 -3.56 0.20 0.02 -1.66 118.68 111.89 2iit s LEU 542 Ca 0.69 -0.42 -0.01 0.00 0.69 0.00 0.00 54.13 55.08 2iit s LEU 542 Cb -0.19 -1.13 0.01 0.00 -0.43 0.00 0.00 46.19 44.45 2iit s LEU 542 CO 0.22 0.18 -0.13 -0.22 -0.29 0.00 0.00 176.35 176.11 2iit s LEU 543 N 0.01 2.48 -0.40 -0.68 2.96 0.20 0.35 118.68 123.60 2iit s LEU 543 Ca -0.05 -0.53 -0.20 0.00 -0.22 0.00 0.00 54.13 53.13 2iit s LEU 543 Cb -0.13 -1.59 0.01 0.00 0.50 0.00 0.00 46.19 44.98 2iit s LEU 543 CO 0.03 0.00 0.62 -0.22 -1.32 0.00 0.00 176.35 175.46 2iit s LEU 544 N 1.32 4.40 -0.38 -0.68 2.96 0.40 -0.42 118.68 126.27 2iit s LEU 544 Ca 0.04 -0.13 -0.22 0.00 -0.22 0.00 0.00 54.13 53.60 2iit s LEU 544 Cb -0.14 -2.72 0.01 0.00 0.50 0.00 0.00 46.19 43.84 2iit s LEU 544 CO -0.08 -0.67 0.72 -0.62 -1.32 0.00 0.00 176.35 174.38 2iit s ASP 545 N 1.90 6.46 0.04 3.68 -1.08 0.30 -1.50 116.67 126.47 2iit s ASP 545 Ca 0.23 0.14 0.08 0.00 -0.52 0.00 0.00 52.55 52.47 2iit s ASP 545 Cb -0.14 -2.36 -0.03 0.00 -1.46 0.00 0.00 42.92 38.92 2iit s ASP 545 CO 0.17 -0.73 -0.23 0.54 0.52 0.00 0.00 175.17 175.44 2iit s VAL 546 N 2.99 1.85 0.02 1.11 0.11 -0.29 -4.25 120.40 121.94 2iit s VAL 546 Ca 0.28 -1.27 0.00 0.00 -2.93 0.00 0.00 61.98 58.06 2iit s VAL 546 Cb -0.13 -1.60 0.00 0.00 -1.53 0.00 0.00 36.38 33.12 2iit s VAL 546 CO 0.18 0.27 0.00 0.00 -3.33 0.00 0.00 175.10 172.22 2iit n TYR 547 N 1.82 -0.12 -1.46 1.54 4.19 -1.26 -4.17 117.16 117.70 2iit n TYR 547 Ca -0.17 0.02 -0.16 0.00 3.31 0.00 0.00 57.90 60.90 2iit n TYR 547 Cb 0.53 0.19 -0.07 0.00 0.49 0.00 0.00 39.34 40.48 2iit n TYR 547 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2iit n ALA 548 N -2.63 -0.24 -1.69 2.98 0.00 -1.26 -3.27 120.51 114.41 2iit n ALA 548 Ca 0.00 0.26 -0.29 0.00 0.00 0.00 0.00 53.44 53.40 2iit n ALA 548 Cb 0.00 -1.76 0.09 0.00 0.00 0.00 0.00 19.45 17.79 2iit n ALA 548 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2iit s GLY 549 N -2.73 1.60 0.12 0.00 0.00 -1.26 -4.88 107.32 100.17 2iit s GLY 549 Ca 0.00 -0.43 -0.33 0.00 0.00 0.00 0.00 44.72 43.96 2iit s GLY 549 CO 0.00 0.04 1.69 -1.55 0.00 0.00 0.00 173.10 173.28 2iit n PRO 550 N -3.42 2.33 -1.49 2.90 -0.04 -1.26 -1.34 135.00 132.68 2iit n PRO 550 Ca 0.07 0.85 -0.12 0.00 -0.04 0.00 0.00 63.50 64.26 2iit n PRO 550 Cb 0.58 -2.66 -0.04 0.00 -0.04 0.00 0.00 33.50 31.34 2iit n PRO 550 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2iit s SER 552 N -2.81 5.03 -0.26 0.00 1.04 -0.45 -3.92 113.70 112.33 2iit s SER 552 Ca 0.00 0.41 -0.02 0.00 0.48 0.00 0.00 55.95 56.81 2iit s SER 552 Cb 0.00 -1.16 0.15 0.00 0.10 0.00 0.00 66.02 65.11 2iit s SER 552 CO 0.00 -1.42 0.44 -1.58 0.98 0.00 0.00 173.24 171.66 2iit s GLN 553 N -5.11 0.41 0.00 4.02 0.74 -1.26 -0.47 119.66 117.98 2iit s GLN 553 Ca 0.58 0.69 0.16 0.00 0.05 0.00 0.00 55.36 56.84 2iit s GLN 553 Cb -0.11 -0.16 0.10 0.00 1.10 0.00 0.00 33.01 33.95 2iit s GLN 553 CO 0.43 -0.62 0.96 1.63 -0.55 0.00 0.00 175.29 177.15 2iit n LYS 554 N 5.38 1.30 -3.90 1.67 4.76 -1.26 -4.84 118.16 121.27 2iit n LYS 554 Ca -0.03 -1.31 -0.35 0.00 -2.87 0.00 0.00 58.31 53.76 2iit n LYS 554 Cb 0.50 -1.29 -0.13 0.00 -1.84 0.00 0.00 35.03 32.27 2iit n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2iit s ALA 555 N -1.41 2.89 0.24 7.82 0.00 -1.26 -4.80 121.76 125.24 2iit s ALA 555 Ca 0.17 -2.02 -0.01 0.00 0.00 0.00 0.00 51.96 50.10 2iit s ALA 555 Cb 0.13 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.22 2iit s ALA 555 CO 0.23 -1.43 0.32 -0.40 0.00 0.00 0.00 175.76 174.48 2iit n ASP 556 N 4.56 -0.88 -1.88 0.00 5.68 -1.26 -4.47 116.55 118.30 2iit n ASP 556 Ca -0.09 -2.30 0.04 0.00 -0.50 0.00 0.00 54.79 51.94 2iit n ASP 556 Cb 0.43 1.67 0.37 0.00 -1.14 0.00 0.00 41.12 42.45 2iit n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2iit n THR 557 N -0.40 2.71 -2.97 2.12 -2.24 -1.14 -4.93 114.28 107.45 2iit n THR 557 Ca 0.01 -1.40 -0.39 0.00 -2.27 0.00 0.00 64.05 60.00 2iit n THR 557 Cb 0.40 -0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.26 2iit n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2iit s VAL 558 N -2.75 4.36 -0.26 2.28 1.01 -1.26 -1.74 120.40 122.04 2iit s VAL 558 Ca 0.53 1.70 -0.21 0.00 0.00 0.00 0.00 61.98 64.00 2iit s VAL 558 Cb 0.41 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 2iit s VAL 558 CO 0.15 0.49 0.65 0.12 0.00 0.00 0.00 175.10 176.51 2iit s PHE 559 N -1.19 3.28 0.06 5.22 5.36 -0.13 -4.92 117.98 125.66 2iit s PHE 559 Ca 0.37 0.82 0.06 0.00 -0.96 0.00 0.00 56.93 57.22 2iit s PHE 559 Cb -0.23 -2.88 -0.03 0.00 -0.34 0.00 0.00 43.02 39.54 2iit s PHE 559 CO 0.26 -0.35 -0.16 1.03 -1.46 0.00 0.00 175.22 174.54 2iit s ARG 560 N 2.56 1.00 -0.38 10.12 0.52 -1.26 -4.91 118.95 126.59 2iit s ARG 560 Ca 0.27 -0.89 0.00 0.00 -0.52 0.00 0.00 55.73 54.59 2iit s ARG 560 Cb -0.15 -1.06 0.11 0.00 0.52 0.00 0.00 34.95 34.36 2iit s ARG 560 CO 0.09 0.25 0.14 -0.51 0.02 0.00 0.00 175.30 175.29 2iit s LEU 561 N -1.40 5.04 0.00 2.53 1.43 -1.26 -4.86 118.68 120.16 2iit s LEU 561 Ca 0.02 -2.10 0.00 0.00 -1.03 0.00 0.00 54.13 51.02 2iit s LEU 561 Cb -0.09 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.39 2iit s LEU 561 CO 0.02 -0.47 0.00 -0.46 0.23 0.00 0.00 176.35 175.67 2iit n ASN 562 N 4.42 0.03 -0.28 2.29 0.23 -1.26 -4.99 115.26 115.71 2iit n ASN 562 Ca 0.01 -0.37 0.01 0.00 -0.53 0.00 0.00 54.58 53.70 2iit n ASN 562 Cb 0.41 0.00 0.22 0.00 -2.08 0.00 0.00 39.78 38.34 2iit n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2iit h TRP 563 N 0.37 1.04 -0.04 -2.53 7.01 -1.97 -0.93 115.95 118.90 2iit h TRP 563 Ca 0.00 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 60.98 2iit h TRP 563 Cb 0.00 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 26.71 2iit h TRP 563 CO 0.00 0.62 -0.17 0.00 -2.79 0.00 0.00 178.44 176.09 2iit h ALA 564 N 1.49 1.64 -0.01 2.65 0.00 -1.98 -1.12 119.26 121.95 2iit h ALA 564 Ca 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2iit h ALA 564 Cb -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2iit h ALA 564 CO -0.09 0.27 0.00 1.15 0.00 0.00 0.00 179.25 180.58 2iit h THR 565 N 0.05 1.00 0.02 0.00 2.02 -1.50 -0.50 112.91 114.00 2iit h THR 565 Ca 0.01 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 2iit h THR 565 Cb 0.34 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2iit h THR 565 CO 0.02 0.00 -0.01 0.22 0.37 0.00 0.00 175.52 176.13 2iit h TYR 566 N 0.01 -0.02 -0.90 3.16 3.20 -1.31 0.81 116.97 121.92 2iit h TYR 566 Ca 0.00 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.97 2iit h TYR 566 Cb 0.00 0.01 -0.06 0.00 1.54 0.00 0.00 36.73 38.21 2iit h TYR 566 CO -0.08 0.03 0.58 -0.07 -1.64 0.00 0.00 178.16 176.99 2iit h LEU 567 N -0.07 0.83 0.17 2.82 3.38 -1.01 0.21 115.31 121.63 2iit h LEU 567 Ca -0.00 0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.76 2iit h LEU 567 Cb 0.06 -0.15 0.03 0.00 0.09 0.00 0.00 40.66 40.69 2iit h LEU 567 CO 0.00 0.49 -1.00 0.00 0.09 0.00 0.00 178.44 178.02 2iit h ALA 568 N 1.55 -0.10 -0.10 1.53 0.00 -0.92 -0.89 119.26 120.32 2iit h ALA 568 Ca 0.41 -0.74 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 2iit h ALA 568 Cb 0.38 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2iit h ALA 568 CO -0.18 0.47 -0.32 1.03 0.00 0.00 0.00 179.25 180.25 2iit h SER 569 N -0.19 0.46 0.09 0.00 0.87 -0.50 -2.94 113.55 111.34 2iit h SER 569 Ca -0.17 -0.61 -0.36 0.00 -1.23 0.00 0.00 61.79 59.42 2iit h SER 569 Cb 1.78 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 63.58 2iit h SER 569 CO 0.19 0.99 -2.04 0.41 -0.53 0.00 0.00 176.83 175.85 2iit n THR 570 N -4.40 1.71 0.60 2.23 -1.04 0.72 -4.45 114.28 109.65 2iit n THR 570 Ca -0.08 -0.59 0.11 0.00 -2.04 0.00 0.00 64.05 61.45 2iit n THR 570 Cb 0.50 -1.71 0.27 0.00 -1.82 0.00 0.00 70.33 67.57 2iit n THR 570 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2iit n GLU 571 N -3.53 2.19 -4.25 -2.82 -0.58 -1.04 -4.95 120.64 105.66 2iit n GLU 571 Ca -0.35 -1.81 -0.34 0.00 -0.42 0.00 0.00 57.16 54.24 2iit n GLU 571 Cb 1.01 -1.45 -0.05 0.00 -0.57 0.00 0.00 31.44 30.37 2iit n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2iit n ASN 572 N 1.01 -1.36 -4.58 1.62 5.03 -1.05 -4.91 115.26 111.01 2iit n ASN 572 Ca 0.18 -1.12 -0.34 0.00 0.87 0.00 0.00 54.58 54.17 2iit n ASN 572 Cb 0.48 -2.34 -0.11 0.00 -1.02 0.00 0.00 39.78 36.78 2iit n ASN 572 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2iit s ILE 573 N -3.68 4.24 -0.09 2.41 1.01 -0.37 -4.44 121.20 120.29 2iit s ILE 573 Ca 0.42 -0.24 -0.27 0.00 0.00 0.00 0.00 60.65 60.56 2iit s ILE 573 Cb -0.24 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 2iit s ILE 573 CO 0.95 0.51 0.87 -0.63 0.00 0.00 0.00 174.94 176.64 2iit s ILE 574 N 0.07 4.90 -0.22 2.92 1.01 -0.67 -3.40 121.20 125.83 2iit s ILE 574 Ca 0.02 1.77 -0.03 0.00 0.00 0.00 0.00 60.65 62.40 2iit s ILE 574 Cb -0.13 -4.19 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 2iit s ILE 574 CO 0.02 0.11 -0.06 -0.69 0.00 0.00 0.00 174.94 174.32 2iit s VAL 575 N 1.49 3.23 0.19 2.92 1.01 -0.91 -0.63 120.40 127.70 2iit s VAL 575 Ca 0.43 -0.54 0.11 0.00 0.00 0.00 0.00 61.98 61.98 2iit s VAL 575 Cb -0.18 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 2iit s VAL 575 CO 0.19 0.44 -0.23 0.00 0.00 0.00 0.00 175.10 175.49 2iit s ALA 576 N 1.46 2.47 0.05 5.51 0.00 0.44 -0.20 121.76 131.49 2iit s ALA 576 Ca 0.06 -1.63 0.02 0.00 0.00 0.00 0.00 51.96 50.40 2iit s ALA 576 Cb -0.14 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 2iit s ALA 576 CO -0.04 0.40 -0.07 -1.12 0.00 0.00 0.00 175.76 174.92 2iit s SER 577 N -2.71 0.86 -0.08 0.00 0.01 -0.92 0.11 113.70 110.96 2iit s SER 577 Ca 0.20 -0.68 -0.04 0.00 1.31 0.00 0.00 55.95 56.74 2iit s SER 577 Cb -0.07 0.06 0.04 0.00 0.21 0.00 0.00 66.02 66.26 2iit s SER 577 CO 0.10 -0.30 0.19 0.12 0.41 0.00 0.00 173.24 173.76 2iit s PHE 578 N -2.07 -0.24 -0.52 2.43 5.36 -1.26 -2.17 117.98 119.52 2iit s PHE 578 Ca -0.04 0.61 -0.15 0.00 -0.96 0.00 0.00 56.93 56.38 2iit s PHE 578 Cb -0.05 -0.01 0.11 0.00 -0.34 0.00 0.00 43.02 42.73 2iit s PHE 578 CO -0.02 -0.19 0.46 -0.51 -1.46 0.00 0.00 175.22 173.51 2iit s ASP 579 N 1.10 6.15 0.00 6.13 1.01 -0.52 -4.84 116.67 125.69 2iit s ASP 579 Ca -0.08 -1.65 0.00 0.00 0.71 0.00 0.00 52.55 51.52 2iit s ASP 579 Cb -0.10 -2.19 0.00 0.00 1.01 0.00 0.00 42.92 41.64 2iit s ASP 579 CO -0.06 -0.78 0.00 0.61 0.21 0.00 0.00 175.17 175.14 2iit n GLY 580 N 5.22 2.04 3.65 0.21 0.00 -1.26 -4.05 105.19 111.00 2iit n GLY 580 Ca -0.13 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 2iit n GLY 580 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iit n ARG 581 N 0.00 1.73 0.00 1.61 1.74 -1.26 -1.40 116.66 119.08 2iit n ARG 581 Ca 0.00 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 2iit n ARG 581 Cb 0.00 -2.15 0.00 0.00 -1.02 0.00 0.00 32.46 29.29 2iit n ARG 581 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2iit n GLY 582 N 0.98 2.23 3.74 -0.13 0.00 0.18 -4.21 105.19 107.99 2iit n GLY 582 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2iit n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2iit s SER 583 N -1.90 3.84 0.47 1.61 1.04 -0.49 -0.81 113.70 117.46 2iit s SER 583 Ca 0.00 1.47 0.07 0.00 0.48 0.00 0.00 55.95 57.97 2iit s SER 583 Cb 0.00 -2.17 0.07 0.00 0.10 0.00 0.00 66.02 64.02 2iit s SER 583 CO 0.00 -2.41 0.57 0.61 0.98 0.00 0.00 173.24 173.00 2iit n GLY 584 N -1.39 2.16 2.52 7.32 0.00 0.38 -3.55 105.19 112.62 2iit n GLY 584 Ca 0.07 -2.22 -0.18 0.00 0.00 0.00 0.00 46.02 43.68 2iit n GLY 584 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2iit n TYR 585 N -1.91 -0.06 -1.53 1.61 4.01 -1.26 -4.83 117.16 113.19 2iit n TYR 585 Ca 0.10 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.86 2iit n TYR 585 Cb 0.49 -3.14 0.03 0.00 -0.31 0.00 0.00 39.34 36.42 2iit n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2iit n GLN 586 N -2.49 0.48 0.00 -0.72 6.02 -1.26 -4.45 117.38 114.96 2iit n GLN 586 Ca -0.18 -1.35 0.00 0.00 -0.01 0.00 0.00 57.00 55.45 2iit n GLN 586 Cb 0.60 -0.77 0.00 0.00 1.02 0.00 0.00 30.24 31.09 2iit n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2iit n GLY 587 N -0.38 2.30 0.25 1.08 0.00 -1.26 -4.66 105.19 102.51 2iit n GLY 587 Ca 0.04 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.37 2iit n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2iit h ASP 588 N 0.00 0.00 -0.69 1.61 3.32 -0.73 -2.33 116.42 117.60 2iit h ASP 588 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2iit h ASP 588 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2iit h ASP 588 CO 0.00 0.13 0.44 0.50 -1.72 0.00 0.00 179.24 178.59 2iit h LYS 589 N 0.00 0.93 0.05 3.56 3.64 -1.86 0.18 116.57 123.06 2iit h LYS 589 Ca -0.00 -0.07 -0.16 0.00 -1.27 0.00 0.00 60.65 59.15 2iit h LYS 589 Cb 0.58 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2iit h LYS 589 CO 0.02 0.63 -0.85 0.82 -2.27 0.00 0.00 179.45 177.80 2iit h ILE 590 N 0.95 1.30 -0.45 2.00 2.04 -1.78 -3.31 117.51 118.26 2iit h ILE 590 Ca 0.25 -2.34 -0.02 0.00 1.00 0.00 0.00 64.86 63.75 2iit h ILE 590 Cb -0.07 2.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 2iit h ILE 590 CO -0.05 0.57 0.19 -0.03 0.00 0.00 0.00 178.15 178.82 2iit h MET 591 N -0.72 0.67 -0.15 2.37 4.05 -1.24 0.52 114.93 120.43 2iit h MET 591 Ca -0.20 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 59.10 2iit h MET 591 Cb 1.38 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 2iit h MET 591 CO -0.02 0.61 0.00 0.72 0.23 0.00 0.00 176.91 178.45 2iit n HIS 592 N -4.61 0.19 0.22 1.39 8.25 0.60 -3.98 115.22 117.29 2iit n HIS 592 Ca 0.01 -0.10 0.07 0.00 -0.26 0.00 0.00 57.72 57.44 2iit n HIS 592 Cb 0.15 0.00 0.51 0.00 1.12 0.00 0.00 29.99 31.76 2iit n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2iit h ALA 593 N 3.35 1.33 -0.22 -1.41 0.00 -1.61 -2.15 119.26 118.56 2iit h ALA 593 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2iit h ALA 593 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2iit h ALA 593 CO 0.00 0.32 0.00 0.44 0.00 0.00 0.00 179.25 180.01 2iit n ILE 594 N -3.88 0.28 -1.62 0.00 -5.35 -1.26 -4.88 119.36 102.66 2iit n ILE 594 Ca -0.02 -0.44 -0.54 0.00 -0.27 0.00 0.00 62.75 61.48 2iit n ILE 594 Cb 0.34 0.52 -0.06 0.00 -1.74 0.00 0.00 39.64 38.70 2iit n ILE 594 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2iit n ASN 595 N 0.61 1.84 0.00 7.28 4.05 -0.81 0.30 115.26 128.53 2iit n ASN 595 Ca 0.17 1.11 0.00 0.00 0.45 0.00 0.00 54.58 56.30 2iit n ASN 595 Cb 0.40 -1.18 0.00 0.00 1.23 0.00 0.00 39.78 40.23 2iit n ASN 595 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2iit n ARG 596 N 3.28 -1.45 -2.72 1.20 1.74 0.32 -4.83 116.66 114.21 2iit n ARG 596 Ca 0.21 0.35 -0.17 0.00 -0.77 0.00 0.00 57.85 57.46 2iit n ARG 596 Cb 0.17 -4.74 0.01 0.00 -1.02 0.00 0.00 32.46 26.88 2iit n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2iit n ARG 597 N 0.17 1.92 -2.17 5.56 3.00 0.15 -4.88 116.66 120.41 2iit n ARG 597 Ca 0.00 -3.76 -0.34 0.00 -0.01 0.00 0.00 57.85 53.74 2iit n ARG 597 Cb 0.35 -1.68 0.01 0.00 0.00 0.00 0.00 32.46 31.14 2iit n ARG 597 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2iit s LEU 598 N -3.16 3.67 0.00 0.55 1.43 -1.22 -3.47 118.68 116.49 2iit s LEU 598 Ca 0.37 2.11 0.00 0.00 -1.03 0.00 0.00 54.13 55.58 2iit s LEU 598 Cb 0.41 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 42.06 2iit s LEU 598 CO -0.06 -1.27 0.00 0.61 0.23 0.00 0.00 176.35 175.86 2iit n GLY 599 N -0.05 0.44 0.00 -3.19 0.00 -1.26 -4.86 105.19 96.27 2iit n GLY 599 Ca 0.11 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2iit n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2iit n THR 600 N -2.98 0.00 -0.34 2.61 -2.24 -1.23 -4.81 114.28 105.29 2iit n THR 600 Ca 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 2iit n THR 600 Cb 0.03 0.00 0.23 0.00 -2.10 0.00 0.00 70.33 68.50 2iit n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2iit h PHE 601 N 0.00 1.06 0.00 4.78 0.04 -1.93 0.93 116.94 121.81 2iit h PHE 601 Ca 0.00 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 2iit h PHE 601 Cb 0.00 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 37.82 2iit h PHE 601 CO 0.00 0.39 -0.13 1.05 -0.60 0.00 0.00 178.31 179.02 2iit h GLU 602 N 0.90 0.00 0.00 1.51 9.09 -1.90 0.18 114.58 124.36 2iit h GLU 602 Ca 0.49 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.88 2iit h GLU 602 Cb 0.52 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.62 2iit h GLU 602 CO -0.28 0.13 -0.10 0.28 0.05 0.00 0.00 179.01 179.09 2iit h VAL 603 N 0.00 1.36 -0.65 -1.06 2.07 -1.24 -3.25 116.25 113.48 2iit h VAL 603 Ca -0.00 -2.06 0.02 0.00 0.82 0.00 0.00 66.70 65.48 2iit h VAL 603 Cb 0.61 2.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.95 2iit h VAL 603 CO 0.02 0.46 0.42 -0.33 0.02 0.00 0.00 177.57 178.16 2iit h GLU 604 N -1.00 0.81 -0.16 1.57 5.08 -0.83 -2.24 114.58 117.82 2iit h GLU 604 Ca -0.02 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2iit h GLU 604 Cb 0.82 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2iit h GLU 604 CO -0.02 0.54 0.04 -0.44 -1.00 0.00 0.00 179.01 178.13 2iit h ASP 605 N 0.83 0.19 -0.35 1.42 5.19 -1.11 0.15 116.42 122.74 2iit h ASP 605 Ca 0.25 -0.01 -0.13 0.00 -0.62 0.00 0.00 57.03 56.52 2iit h ASP 605 Cb -0.04 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.41 2iit h ASP 605 CO -0.08 0.20 -0.27 -0.61 -3.12 0.00 0.00 179.24 175.37 2iit h GLN 606 N 0.22 0.86 -0.36 3.56 5.75 -1.44 0.12 115.11 123.83 2iit h GLN 606 Ca 0.06 -0.38 -0.10 0.00 -0.15 0.00 0.00 58.65 58.07 2iit h GLN 606 Cb 0.09 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 2iit h GLN 606 CO -0.00 1.03 -0.18 0.82 -2.65 0.00 0.00 178.83 177.84 2iit h ILE 607 N 0.74 1.29 -0.76 2.39 2.04 -0.95 -2.72 117.51 119.53 2iit h ILE 607 Ca 0.09 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.64 2iit h ILE 607 Cb 0.82 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 2iit h ILE 607 CO 0.07 0.43 0.47 -0.08 0.00 0.00 0.00 178.15 179.04 2iit h GLU 608 N 0.54 1.01 -1.00 2.37 4.57 -0.50 -2.26 114.58 119.31 2iit h GLU 608 Ca 0.08 -0.08 0.08 0.00 -1.18 0.00 0.00 59.36 58.26 2iit h GLU 608 Cb 0.73 -0.22 -0.07 0.00 -0.16 0.00 0.00 28.75 29.03 2iit h GLU 608 CO 0.05 0.70 0.64 0.00 -1.18 0.00 0.00 179.01 179.23 2iit h ALA 609 N 1.25 1.44 -0.38 2.92 0.00 -0.55 -0.66 119.26 123.28 2iit h ALA 609 Ca 0.27 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 2iit h ALA 609 Cb -0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2iit h ALA 609 CO -0.05 0.39 0.05 0.00 0.00 0.00 0.00 179.25 179.63 2iit h ALA 610 N 1.48 0.51 -0.01 0.00 0.00 -1.12 -0.93 119.26 119.19 2iit h ALA 610 Ca 0.45 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.16 2iit h ALA 610 Cb 0.25 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2iit h ALA 610 CO -0.19 0.23 -0.19 0.00 0.00 0.00 0.00 179.25 179.10 2iit h ARG 611 N 0.48 -0.29 -0.95 0.00 3.08 -0.75 -0.31 114.38 115.64 2iit h ARG 611 Ca 0.11 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.27 2iit h ARG 611 Cb 0.38 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.43 2iit h ARG 611 CO 0.01 -0.20 0.61 1.96 -1.07 0.00 0.00 179.97 181.29 2iit h GLN 612 N -0.30 1.00 -0.14 0.04 1.08 -1.00 -1.33 115.11 114.45 2iit h GLN 612 Ca 0.06 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2iit h GLN 612 Cb 0.38 -0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2iit h GLN 612 CO -0.18 0.66 -0.02 0.74 -0.95 0.00 0.00 178.83 179.07 2iit h PHE 613 N 1.03 0.29 0.00 2.96 0.04 -0.41 -2.54 116.94 118.32 2iit h PHE 613 Ca 0.43 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 61.14 2iit h PHE 613 Cb 0.30 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.37 2iit h PHE 613 CO -0.00 0.53 0.00 0.66 -0.60 0.00 0.00 178.31 178.90 2iit h SER 614 N -0.03 0.00 -0.21 2.17 4.64 -0.66 0.17 113.55 119.63 2iit h SER 614 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2iit h SER 614 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2iit h SER 614 CO 0.01 0.00 0.00 1.17 -0.87 0.00 0.00 176.83 177.14 2iit n LYS 615 N -2.88 1.62 0.00 4.77 4.81 -0.54 -3.49 118.16 122.45 2iit n LYS 615 Ca -0.01 -0.95 0.13 0.00 -0.87 0.00 0.00 58.31 56.61 2iit n LYS 615 Cb 0.16 -1.30 0.30 0.00 0.02 0.00 0.00 35.03 34.21 2iit n LYS 615 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2iit n MET 616 N 0.21 0.80 0.00 1.64 2.81 0.59 -4.98 117.12 118.20 2iit n MET 616 Ca 0.13 -0.52 0.00 0.00 -1.81 0.00 0.00 57.70 55.50 2iit n MET 616 Cb 0.26 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 2iit n MET 616 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2iit n GLY 617 N 1.37 2.69 0.91 3.03 0.00 -1.23 -4.85 105.19 107.11 2iit n GLY 617 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.21 2iit n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2iit n PHE 618 N -2.00 0.87 -4.95 1.61 1.16 -1.26 -4.72 117.46 108.17 2iit n PHE 618 Ca 0.00 -0.72 -0.32 0.00 -1.87 0.00 0.00 57.45 54.54 2iit n PHE 618 Cb 0.00 -0.22 -0.15 0.00 -1.61 0.00 0.00 39.48 37.50 2iit n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2iit s VAL 619 N -2.11 2.71 -0.84 1.97 1.01 -1.26 -0.57 120.40 121.31 2iit s VAL 619 Ca 0.37 -0.80 -0.25 0.00 0.00 0.00 0.00 61.98 61.30 2iit s VAL 619 Cb 0.27 -2.09 0.05 0.00 0.00 0.00 0.00 36.38 34.60 2iit s VAL 619 CO 0.13 0.55 1.30 -0.62 0.00 0.00 0.00 175.10 176.46 2iit s ASP 620 N 0.13 6.30 0.00 3.32 -1.08 -0.44 -4.76 116.67 120.14 2iit s ASP 620 Ca -0.09 -0.91 0.00 0.00 -0.52 0.00 0.00 52.55 51.03 2iit s ASP 620 Cb -0.15 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 2iit s ASP 620 CO 0.05 -1.66 0.83 -0.46 0.52 0.00 0.00 175.17 174.45 2iit n ASN 621 N 8.93 0.00 0.02 -0.34 6.94 -1.26 0.16 115.26 129.72 2iit n ASN 621 Ca 0.13 0.33 0.11 0.00 -0.02 0.00 0.00 54.58 55.14 2iit n ASN 621 Cb 0.49 -0.33 0.08 0.00 -2.36 0.00 0.00 39.78 37.66 2iit n ASN 621 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2iit n LYS 622 N -1.33 0.21 -3.33 -3.83 5.02 -1.26 -4.43 118.16 109.21 2iit n LYS 622 Ca 0.00 0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 56.04 2iit n LYS 622 Cb 0.16 -1.58 -0.07 0.00 -0.02 0.00 0.00 35.03 33.52 2iit n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2iit n ARG 623 N -1.86 2.10 -4.07 1.97 1.74 0.12 -4.81 116.66 111.86 2iit n ARG 623 Ca 0.03 -4.31 -0.33 0.00 -0.77 0.00 0.00 57.85 52.47 2iit n ARG 623 Cb 0.41 -1.99 -0.15 0.00 -1.02 0.00 0.00 32.46 29.70 2iit n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2iit s ILE 624 N -2.28 2.34 0.40 0.55 1.01 -1.26 -0.80 121.20 121.16 2iit s ILE 624 Ca 0.39 -0.93 0.08 0.00 0.00 0.00 0.00 60.65 60.18 2iit s ILE 624 Cb 0.17 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 2iit s ILE 624 CO -0.04 0.45 0.21 0.00 0.00 0.00 0.00 174.94 175.55 2iit s ALA 625 N 1.31 3.66 -0.12 9.38 0.00 0.16 -0.93 121.76 135.21 2iit s ALA 625 Ca 0.04 -2.01 -0.10 0.00 0.00 0.00 0.00 51.96 49.89 2iit s ALA 625 Cb -0.14 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.44 2iit s ALA 625 CO -0.10 -0.14 0.30 -1.50 0.00 0.00 0.00 175.76 174.32 2iit s ILE 626 N -2.54 -0.01 0.07 0.00 2.07 -1.11 -0.45 121.20 119.23 2iit s ILE 626 Ca 0.42 0.02 -0.13 0.00 -1.41 0.00 0.00 60.65 59.55 2iit s ILE 626 Cb 0.01 -0.43 0.02 0.00 0.13 0.00 0.00 42.46 42.19 2iit s ILE 626 CO 0.24 0.01 0.29 -1.66 -1.91 0.00 0.00 174.94 171.91 2iit s TRP 627 N 0.35 -0.06 -0.01 3.50 1.48 -0.56 -1.15 118.94 122.49 2iit s TRP 627 Ca -0.02 -0.18 -0.29 0.00 -1.06 0.00 0.00 56.10 54.55 2iit s TRP 627 Cb -0.03 0.09 0.10 0.00 -1.16 0.00 0.00 33.47 32.47 2iit s TRP 627 CO -0.01 -0.55 1.02 0.20 -4.06 0.00 0.00 176.95 173.55 2iit s GLY 628 N -2.38 -0.37 0.06 3.67 0.00 -0.73 -1.14 107.32 106.43 2iit s GLY 628 Ca -0.01 0.89 0.08 0.00 0.00 0.00 0.00 44.72 45.68 2iit s GLY 628 CO -0.07 0.27 -0.22 0.86 0.00 0.00 0.00 173.10 173.95 2iit s TRP 629 N -2.93 1.89 0.00 1.90 -0.11 -1.26 -1.53 118.94 116.90 2iit s TRP 629 Ca 0.09 -0.39 0.00 0.00 1.22 0.00 0.00 56.10 57.02 2iit s TRP 629 Cb -0.00 -1.10 0.00 0.00 -1.50 0.00 0.00 33.47 30.87 2iit s TRP 629 CO -0.05 0.14 0.00 0.43 -4.62 0.00 0.00 176.95 172.85 2iit n SER 630 N 1.60 0.00 -0.14 5.86 7.64 -0.86 -0.31 113.62 127.42 2iit n SER 630 Ca -0.18 0.00 0.14 0.00 1.01 0.00 0.00 58.87 59.84 2iit n SER 630 Cb 0.53 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 64.22 2iit n SER 630 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2iit h TYR 631 N 0.00 0.49 -0.54 1.43 5.03 -1.86 0.13 116.97 121.64 2iit h TYR 631 Ca 0.00 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.29 2iit h TYR 631 Cb 0.00 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.10 2iit h TYR 631 CO 0.00 0.21 0.21 0.78 -1.32 0.00 0.00 178.16 178.04 2iit h GLY 632 N 0.44 0.84 1.22 1.82 0.00 -0.64 -1.55 103.07 105.20 2iit h GLY 632 Ca 0.33 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 2iit h GLY 632 CO -0.10 0.40 -0.03 -1.33 0.00 0.00 0.00 176.54 175.48 2iit h GLY 633 N 0.91 1.01 0.93 4.60 0.00 -0.66 0.94 103.07 110.80 2iit h GLY 633 Ca 0.18 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 2iit h GLY 633 CO -0.02 0.67 -0.15 -1.82 0.00 0.00 0.00 176.54 175.23 2iit h TYR 634 N 0.85 -0.38 -0.96 5.60 3.20 -0.99 -0.74 116.97 123.55 2iit h TYR 634 Ca 0.15 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2iit h TYR 634 Cb 0.54 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.89 2iit h TYR 634 CO 0.03 -0.19 0.62 0.28 -1.64 0.00 0.00 178.16 177.26 2iit h VAL 635 N -0.49 1.25 -0.39 1.81 2.07 -1.14 0.24 116.25 119.61 2iit h VAL 635 Ca -0.04 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 2iit h VAL 635 Cb 0.37 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 2iit h VAL 635 CO 0.07 0.25 0.23 0.74 0.02 0.00 0.00 177.57 178.89 2iit h THR 636 N 1.31 1.12 -0.36 2.57 2.02 -0.68 -0.07 112.91 118.83 2iit h THR 636 Ca 0.35 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 67.20 2iit h THR 636 Cb -0.12 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 2iit h THR 636 CO -0.07 0.12 0.02 0.28 0.37 0.00 0.00 175.52 176.24 2iit h SER 637 N 0.51 0.60 -0.86 4.18 0.02 -0.37 0.90 113.55 118.52 2iit h SER 637 Ca 0.14 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2iit h SER 637 Cb -0.00 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 2iit h SER 637 CO -0.03 0.75 0.55 0.24 -1.14 0.00 0.00 176.83 177.20 2iit h MET 638 N 0.44 1.15 0.07 3.45 2.86 -0.34 -0.39 114.93 122.16 2iit h MET 638 Ca 0.10 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2iit h MET 638 Cb 0.43 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2iit h MET 638 CO 0.01 0.78 -0.03 0.28 1.06 0.00 0.00 176.91 179.01 2iit h VAL 639 N 1.17 1.08 0.00 -2.22 2.07 -0.76 -1.79 116.25 115.81 2iit h VAL 639 Ca 0.31 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 2iit h VAL 639 Cb -0.11 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2iit h VAL 639 CO -0.06 0.13 -0.00 -0.07 0.02 0.00 0.00 177.57 177.58 2iit h LEU 640 N -0.32 0.00 -1.95 2.57 3.38 -0.53 -1.64 115.31 116.81 2iit h LEU 640 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2iit h LEU 640 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2iit h LEU 640 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2iit n GLY 641 N -1.25 1.26 0.21 0.83 0.00 -0.18 -4.35 105.19 101.71 2iit n GLY 641 Ca -0.03 -0.65 0.10 0.00 0.00 0.00 0.00 46.02 45.44 2iit n GLY 641 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2iit h SER 642 N 3.91 0.00 -0.13 1.61 4.64 -0.43 -3.43 113.55 119.72 2iit h SER 642 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2iit h SER 642 Cb 0.86 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 2iit h SER 642 CO 0.00 0.17 -0.05 0.61 -0.87 0.00 0.00 176.83 176.69 2iit n GLY 643 N 0.69 0.59 0.28 -0.77 0.00 -1.26 -4.93 105.19 99.79 2iit n GLY 643 Ca 0.02 -0.92 0.16 0.00 0.00 0.00 0.00 46.02 45.28 2iit n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2iit h SER 644 N 0.00 0.00 0.00 1.61 4.64 -1.91 -3.46 113.55 114.43 2iit h SER 644 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2iit h SER 644 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2iit h SER 644 CO 0.08 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 2iit n GLY 645 N -0.50 1.66 0.12 -0.77 0.00 -1.26 -4.87 105.19 99.57 2iit n GLY 645 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 2iit n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2iit h VAL 646 N 0.00 1.49 -3.42 1.61 2.07 -1.97 -3.45 116.25 112.58 2iit h VAL 646 Ca 0.00 -2.32 -0.67 0.00 0.82 0.00 0.00 66.70 64.53 2iit h VAL 646 Cb 0.00 2.25 -0.15 0.00 -1.52 0.00 0.00 31.29 31.87 2iit h VAL 646 CO 0.00 0.66 -0.65 -0.36 0.02 0.00 0.00 177.57 177.24 2iit s PHE 647 N -3.48 3.07 -0.06 1.57 0.08 -1.26 -4.66 117.98 113.25 2iit s PHE 647 Ca -0.01 0.10 -0.09 0.00 0.12 0.00 0.00 56.93 57.05 2iit s PHE 647 Cb 0.12 -1.71 -0.30 0.00 -0.57 0.00 0.00 43.02 40.56 2iit s PHE 647 CO 0.77 0.43 0.63 -0.22 -0.10 0.00 0.00 175.22 176.74 2iit h LYS 648 N 4.79 0.36 -3.69 0.44 3.64 -1.35 -3.45 116.57 117.30 2iit h LYS 648 Ca -0.49 -0.61 -0.16 0.00 -1.27 0.00 0.00 60.65 58.12 2iit h LYS 648 Cb 1.18 0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 33.17 2iit h LYS 648 CO 0.55 1.27 -0.02 0.00 -2.27 0.00 0.00 179.45 178.98 2iit s GLY 650 N -3.15 -0.19 -0.12 0.00 0.00 -0.13 -2.74 107.32 100.98 2iit s GLY 650 Ca 0.24 2.05 0.02 0.00 0.00 0.00 0.00 44.72 47.04 2iit s GLY 650 CO 0.16 0.87 -0.20 -0.42 0.00 0.00 0.00 173.10 173.51 2iit s ILE 651 N -1.58 1.85 -0.16 0.90 1.01 -0.30 -2.03 121.20 120.89 2iit s ILE 651 Ca 0.04 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 2iit s ILE 651 Cb -0.01 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 2iit s ILE 651 CO -0.03 0.51 -0.11 0.00 0.00 0.00 0.00 174.94 175.30 2iit s ALA 652 N 0.80 2.64 -0.18 9.38 0.00 -0.50 -1.78 121.76 132.12 2iit s ALA 652 Ca -0.09 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 50.84 2iit s ALA 652 Cb -0.16 -1.35 -0.01 0.00 0.00 0.00 0.00 23.12 21.61 2iit s ALA 652 CO -0.00 -0.01 -0.08 0.08 0.00 0.00 0.00 175.76 175.75 2iit s VAL 653 N 0.78 3.24 -1.22 0.00 1.01 -0.58 -1.70 120.40 121.92 2iit s VAL 653 Ca -0.04 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.11 2iit s VAL 653 Cb -0.15 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.82 2iit s VAL 653 CO 0.01 0.47 0.67 0.00 0.00 0.00 0.00 175.10 176.25 2iit n ALA 654 N 4.25 -2.53 -2.07 5.51 0.00 0.99 -2.02 120.51 124.65 2iit n ALA 654 Ca -0.18 -0.45 -0.29 0.00 0.00 0.00 0.00 53.44 52.51 2iit n ALA 654 Cb 0.52 -2.96 0.00 0.00 0.00 0.00 0.00 19.45 17.01 2iit n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2iit s PRO 655 N -6.92 3.59 0.36 0.00 0.04 -1.26 -3.28 135.00 127.52 2iit s PRO 655 Ca 0.44 0.49 -0.17 0.00 0.04 0.00 0.00 61.00 61.79 2iit s PRO 655 Cb -0.21 -2.23 -0.10 0.00 0.04 0.00 0.00 34.50 32.00 2iit s PRO 655 CO 0.93 -0.37 0.81 0.08 0.04 0.00 0.00 177.00 178.49 2iit s VAL 656 N -2.94 4.58 0.00 -0.36 1.01 -1.26 -4.53 120.40 116.91 2iit s VAL 656 Ca 0.51 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.63 2iit s VAL 656 Cb -0.11 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.67 2iit s VAL 656 CO 0.48 -0.24 0.00 -1.54 0.00 0.00 0.00 175.10 173.80 2iit n SER 657 N -0.49 3.48 -3.69 3.32 3.41 -1.26 -4.23 113.62 114.16 2iit n SER 657 Ca 0.05 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.55 2iit n SER 657 Cb 0.53 0.39 -0.11 0.00 -0.26 0.00 0.00 64.21 64.76 2iit n SER 657 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2iit s ARG 658 N -1.66 0.32 0.59 4.33 1.70 -1.26 -0.95 118.95 122.02 2iit s ARG 658 Ca 0.00 0.77 0.28 0.00 -0.47 0.00 0.00 55.73 56.31 2iit s ARG 658 Cb 0.00 0.01 1.55 0.00 -0.57 0.00 0.00 34.95 35.94 2iit s ARG 658 CO 0.00 -0.18 1.99 -1.49 -1.08 0.00 0.00 175.30 174.54 2iit h TRP 659 N 7.40 0.00 0.00 5.89 4.06 -1.86 -0.33 115.95 131.10 2iit h TRP 659 Ca -0.33 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.62 2iit h TRP 659 Cb 1.16 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.32 2iit h TRP 659 CO 0.28 0.00 0.00 0.39 -3.56 0.00 0.00 178.44 175.55 2iit n GLU 660 N -3.79 0.15 0.08 0.49 1.02 -1.26 -2.23 120.64 115.11 2iit n GLU 660 Ca 0.05 0.43 0.12 0.00 -0.02 0.00 0.00 57.16 57.75 2iit n GLU 660 Cb 0.51 -1.82 0.11 0.00 -0.02 0.00 0.00 31.44 30.21 2iit n GLU 660 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2iit h TYR 661 N 0.00 0.00 -3.34 -0.32 0.05 -1.42 -3.29 116.97 108.65 2iit h TYR 661 Ca 0.00 0.00 -0.45 0.00 0.05 0.00 0.00 58.73 58.33 2iit h TYR 661 Cb 0.28 0.00 0.07 0.00 1.01 0.00 0.00 36.73 38.08 2iit h TYR 661 CO 0.00 0.00 0.14 -0.47 -1.05 0.00 0.00 178.16 176.78 2iit s TYR 662 N -3.24 2.93 0.52 4.88 5.04 -0.95 -4.82 117.35 121.72 2iit s TYR 662 Ca 0.04 0.31 -0.21 0.00 -2.44 0.00 0.00 57.07 54.77 2iit s TYR 662 Cb 0.12 -3.00 -0.06 0.00 0.35 0.00 0.00 41.96 39.37 2iit s TYR 662 CO 0.75 -1.17 1.17 0.16 -1.34 0.00 0.00 175.55 175.12 2iit s ASP 663 N -4.46 5.76 0.10 4.32 1.47 -1.26 -0.77 116.67 121.82 2iit s ASP 663 Ca 0.58 2.30 -0.30 0.00 1.18 0.00 0.00 52.55 56.32 2iit s ASP 663 Cb -0.11 -2.60 -0.11 0.00 -0.34 0.00 0.00 42.92 39.77 2iit s ASP 663 CO 0.43 -1.20 1.61 0.77 0.68 0.00 0.00 175.17 177.46 2iit h SER 664 N 1.47 -0.94 -0.67 2.11 4.64 -0.66 -1.41 113.55 118.08 2iit h SER 664 Ca -0.50 0.10 0.12 0.00 -0.47 0.00 0.00 61.79 61.04 2iit h SER 664 Cb 1.27 0.34 -0.09 0.00 -0.31 0.00 0.00 62.40 63.61 2iit h SER 664 CO 0.58 -0.45 0.22 0.58 -0.87 0.00 0.00 176.83 176.89 2iit h VAL 665 N -0.63 0.67 0.02 0.95 2.07 -1.93 0.23 116.25 117.63 2iit h VAL 665 Ca 0.01 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 2iit h VAL 665 Cb 0.61 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2iit h VAL 665 CO -0.13 0.07 -0.31 0.22 0.02 0.00 0.00 177.57 177.43 2iit h TYR 666 N 0.37 0.27 0.01 1.57 5.03 -1.93 -3.09 116.97 119.20 2iit h TYR 666 Ca 0.36 -0.16 -0.00 0.00 2.58 0.00 0.00 58.73 61.50 2iit h TYR 666 Cb 0.52 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.78 2iit h TYR 666 CO -0.20 1.02 -0.01 1.15 -1.32 0.00 0.00 178.16 178.80 2iit h THR 667 N -0.55 1.15 0.00 1.81 2.02 -1.01 -3.00 112.91 113.33 2iit h THR 667 Ca -0.04 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 2iit h THR 667 Cb 1.12 1.48 -0.00 0.00 -1.74 0.00 0.00 68.15 69.01 2iit h THR 667 CO 0.06 0.12 -0.07 -0.33 0.37 0.00 0.00 175.52 175.68 2iit h GLU 668 N -0.22 0.00 -0.80 6.66 5.08 -0.70 0.14 114.58 124.74 2iit h GLU 668 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2iit h GLU 668 Cb 0.22 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2iit h GLU 668 CO 0.00 0.07 0.45 -0.09 -1.00 0.00 0.00 179.01 178.44 2iit h ARG 669 N 0.00 1.10 0.00 2.33 2.43 -1.43 0.17 114.38 118.97 2iit h ARG 669 Ca -0.00 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 2iit h ARG 669 Cb 0.33 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2iit h ARG 669 CO 0.01 0.79 -1.88 0.66 -1.51 0.00 0.00 179.97 178.04 2iit n TYR 670 N -4.36 0.00 0.36 2.20 4.01 -0.83 -4.62 117.16 113.92 2iit n TYR 670 Ca 0.08 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.86 2iit n TYR 670 Cb 0.08 -0.49 0.02 0.00 -0.31 0.00 0.00 39.34 38.64 2iit n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2iit n MET 671 N -2.22 1.11 0.00 -0.72 2.81 0.44 0.12 117.12 118.65 2iit n MET 671 Ca -0.08 -0.80 0.00 0.00 -1.81 0.00 0.00 57.70 55.01 2iit n MET 671 Cb 0.58 -1.10 0.00 0.00 -0.71 0.00 0.00 33.22 31.99 2iit n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2iit n GLY 672 N 0.63 0.44 3.84 3.03 0.00 0.04 -4.64 105.19 108.53 2iit n GLY 672 Ca 0.04 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 2iit n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2iit s LEU 673 N 0.00 4.30 -0.79 0.99 1.43 -1.26 -4.29 118.68 119.07 2iit s LEU 673 Ca 0.00 1.13 -0.07 0.00 -1.03 0.00 0.00 54.13 54.16 2iit s LEU 673 Cb 0.00 -3.42 -0.12 0.00 0.03 0.00 0.00 46.19 42.68 2iit s LEU 673 CO 0.00 0.05 3.14 -0.81 0.23 0.00 0.00 176.35 178.96 2iit n PRO 674 N 0.61 2.96 -4.44 1.29 -0.04 -1.26 -1.78 135.00 132.34 2iit n PRO 674 Ca -0.04 -1.89 -0.24 0.00 -0.04 0.00 0.00 63.50 61.30 2iit n PRO 674 Cb 0.52 -2.37 -0.10 0.00 -0.04 0.00 0.00 33.50 31.50 2iit n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2iit s THR 675 N 0.73 2.35 0.45 0.52 -4.23 -1.26 -4.63 115.64 109.57 2iit s THR 675 Ca 0.65 -2.29 0.14 0.00 -1.18 0.00 0.00 61.69 59.01 2iit s THR 675 Cb 0.26 -2.22 0.19 0.00 1.34 0.00 0.00 72.50 72.08 2iit s THR 675 CO -0.06 -0.36 2.01 1.55 -0.54 0.00 0.00 174.62 177.22 2iit h PRO 676 N 2.53 0.03 0.00 3.99 0.13 -1.96 -0.96 132.00 135.76 2iit h PRO 676 Ca -0.41 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2iit h PRO 676 Cb 1.24 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2iit h PRO 676 CO 0.57 0.18 0.00 0.39 -0.23 0.00 0.00 178.00 178.91 2iit n GLU 677 N -4.35 0.16 0.00 0.86 4.71 -1.26 -4.69 120.64 116.07 2iit n GLU 677 Ca -0.02 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.39 2iit n GLU 677 Cb 0.22 -1.73 0.00 0.00 -1.01 0.00 0.00 31.44 28.92 2iit n GLU 677 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2iit n ASP 678 N -2.02 0.00 -1.15 1.62 -0.08 -0.48 -5.04 116.55 109.40 2iit n ASP 678 Ca 0.04 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.37 2iit n ASP 678 Cb 0.31 0.00 0.10 0.00 2.34 0.00 0.00 41.12 43.86 2iit n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2iit n ASN 679 N 0.00 1.31 -0.31 1.67 5.15 -0.73 -4.88 115.26 117.47 2iit n ASN 679 Ca 0.00 -2.78 -0.01 0.00 -0.60 0.00 0.00 54.58 51.19 2iit n ASN 679 Cb 0.00 -0.39 0.12 0.00 -0.53 0.00 0.00 39.78 38.97 2iit n ASN 679 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2iit h LEU 680 N 1.02 0.89 -1.01 1.20 5.85 -1.34 -2.61 115.31 119.31 2iit h LEU 680 Ca -0.13 -0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.71 2iit h LEU 680 Cb 1.53 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 42.28 2iit h LEU 680 CO 0.06 0.60 0.63 0.44 -0.34 0.00 0.00 178.44 179.84 2iit h ASP 681 N 1.04 0.93 0.76 1.25 3.32 -1.90 -0.53 116.42 121.29 2iit h ASP 681 Ca 0.35 0.05 -0.16 0.00 0.02 0.00 0.00 57.03 57.28 2iit h ASP 681 Cb 0.05 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2iit h ASP 681 CO -0.13 0.49 -0.78 -0.74 -1.72 0.00 0.00 179.24 176.36 2iit h HIS 682 N 1.00 0.02 -0.97 4.55 2.76 -1.84 -1.40 115.15 119.26 2iit h HIS 682 Ca 0.50 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.66 2iit h HIS 682 Cb 0.49 -0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.41 2iit h HIS 682 CO -0.00 0.78 0.60 1.88 -1.30 0.00 0.00 177.93 179.89 2iit h TYR 683 N 0.01 1.26 0.00 5.26 0.05 -0.90 -1.42 116.97 121.23 2iit h TYR 683 Ca -0.01 0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.68 2iit h TYR 683 Cb 1.37 -0.42 -0.01 0.00 1.01 0.00 0.00 36.73 38.68 2iit h TYR 683 CO 0.00 0.82 -0.50 0.00 -1.05 0.00 0.00 178.16 177.43 2iit h ARG 684 N 1.33 0.00 -0.00 4.88 2.47 -1.05 -3.28 114.38 118.72 2iit h ARG 684 Ca 0.35 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.07 2iit h ARG 684 Cb -0.09 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.23 2iit h ARG 684 CO -0.07 0.47 -0.29 -1.71 0.56 0.00 0.00 179.97 178.93 2iit n ASN 685 N -3.21 0.65 -1.18 7.04 2.85 -0.54 -4.19 115.26 116.69 2iit n ASN 685 Ca 0.02 -0.50 -0.05 0.00 -0.11 0.00 0.00 54.58 53.94 2iit n ASN 685 Cb 0.73 0.08 0.20 0.00 1.24 0.00 0.00 39.78 42.03 2iit n ASN 685 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 2iit n SER 686 N -1.07 2.49 -4.92 1.20 3.41 -0.57 -5.02 113.62 109.13 2iit n SER 686 Ca 0.10 -3.81 -0.26 0.00 -0.26 0.00 0.00 58.87 54.64 2iit n SER 686 Cb 0.33 -0.63 -0.01 0.00 -0.26 0.00 0.00 64.21 63.63 2iit n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2iit s THR 687 N -3.30 5.04 0.05 6.66 -4.23 -1.26 -4.78 115.64 113.82 2iit s THR 687 Ca 0.45 -0.18 -0.16 0.00 -1.18 0.00 0.00 61.69 60.61 2iit s THR 687 Cb 0.41 -3.84 -0.21 0.00 1.34 0.00 0.00 72.50 70.20 2iit s THR 687 CO -0.01 -0.59 1.19 0.58 -0.54 0.00 0.00 174.62 175.25 2iit h VAL 688 N 0.74 1.34 -0.87 2.29 2.07 -1.39 -3.32 116.25 117.11 2iit h VAL 688 Ca -0.49 -2.08 0.20 0.00 0.82 0.00 0.00 66.70 65.15 2iit h VAL 688 Cb 1.21 2.35 -0.06 0.00 -1.52 0.00 0.00 31.29 33.27 2iit h VAL 688 CO 0.62 0.63 0.58 0.24 0.02 0.00 0.00 177.57 179.66 2iit h MET 689 N 0.22 0.36 0.00 1.57 2.86 -1.91 -0.63 114.93 117.41 2iit h MET 689 Ca -0.09 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2iit h MET 689 Cb 1.44 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 33.02 2iit h MET 689 CO 0.16 0.24 0.00 -1.13 1.06 0.00 0.00 176.91 177.24 2iit n SER 690 N -4.49 0.00 -0.50 1.22 3.41 -1.25 -2.07 113.62 109.95 2iit n SER 690 Ca 0.18 -0.23 0.05 0.00 -0.26 0.00 0.00 58.87 58.60 2iit n SER 690 Cb 0.68 -0.18 0.13 0.00 -0.26 0.00 0.00 64.21 64.58 2iit n SER 690 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2iit n ARG 691 N -1.18 2.86 -0.26 4.33 1.74 -0.24 -4.76 116.66 119.16 2iit n ARG 691 Ca 0.12 -2.01 0.06 0.00 -0.77 0.00 0.00 57.85 55.24 2iit n ARG 691 Cb 0.12 -1.26 0.17 0.00 -1.02 0.00 0.00 32.46 30.47 2iit n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2iit h ALA 692 N 1.48 0.85 -0.38 7.54 0.00 -1.46 -0.85 119.26 126.45 2iit h ALA 692 Ca 0.00 0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.22 2iit h ALA 692 Cb 0.75 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2iit h ALA 692 CO 0.02 -0.41 0.27 1.49 0.00 0.00 0.00 179.25 180.61 2iit h GLU 693 N 0.14 0.15 0.00 0.00 4.57 -1.85 -1.41 114.58 116.18 2iit h GLU 693 Ca 0.42 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 2iit h GLU 693 Cb 0.75 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 2iit h GLU 693 CO -0.63 0.10 0.00 0.09 -1.18 0.00 0.00 179.01 177.39 2iit n ASN 694 N -4.46 0.41 0.00 1.04 3.02 -0.32 -3.07 115.26 111.88 2iit n ASN 694 Ca 0.05 0.57 0.08 0.00 -0.03 0.00 0.00 54.58 55.25 2iit n ASN 694 Cb 0.35 -0.66 0.42 0.00 -0.61 0.00 0.00 39.78 39.27 2iit n ASN 694 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2iit n PHE 695 N -1.91 0.00 0.26 3.10 3.72 -0.53 -2.25 117.46 119.85 2iit n PHE 695 Ca 0.05 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.59 2iit n PHE 695 Cb 0.30 -0.22 0.64 0.00 -0.94 0.00 0.00 39.48 39.26 2iit n PHE 695 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2iit h LYS 696 N 0.00 0.00 -0.01 -1.08 1.57 -1.73 -3.05 116.57 112.27 2iit h LYS 696 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2iit h LYS 696 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2iit h LYS 696 CO 0.00 0.08 -0.07 1.04 -0.57 0.00 0.00 179.45 179.93 2iit n GLN 697 N -3.23 1.21 -4.21 3.15 6.02 -0.96 -4.96 117.38 114.41 2iit n GLN 697 Ca 0.00 -0.59 -0.14 0.00 -0.01 0.00 0.00 57.00 56.27 2iit n GLN 697 Cb 0.33 -1.49 -0.09 0.00 1.02 0.00 0.00 30.24 30.01 2iit n GLN 697 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 2iit s VAL 698 N -2.19 0.00 -0.27 5.09 -7.23 -1.15 -4.92 120.40 109.72 2iit s VAL 698 Ca 0.35 -1.97 -0.09 0.00 -1.81 0.00 0.00 61.98 58.46 2iit s VAL 698 Cb 0.21 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 2iit s VAL 698 CO 0.40 0.00 0.11 -1.61 -0.31 0.00 0.00 175.10 173.70 2iit s GLU 699 N -3.97 3.68 -0.03 4.82 2.02 -0.69 -4.99 118.70 119.55 2iit s GLU 699 Ca 0.39 -0.47 0.06 0.00 0.02 0.00 0.00 54.97 54.96 2iit s GLU 699 Cb 0.06 -3.45 -0.02 0.00 0.10 0.00 0.00 34.13 30.81 2iit s GLU 699 CO 0.16 -0.22 -0.19 -0.47 0.02 0.00 0.00 175.26 174.55 2iit s TYR 700 N 1.65 2.55 -0.14 1.61 5.04 -1.26 -0.96 117.35 125.83 2iit s TYR 700 Ca 0.06 -0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.42 2iit s TYR 700 Cb -0.16 -1.57 0.03 0.00 0.35 0.00 0.00 41.96 40.61 2iit s TYR 700 CO 0.06 0.10 -0.11 -1.17 -1.34 0.00 0.00 175.55 173.09 2iit s LEU 701 N -0.72 1.58 -0.16 6.97 2.96 -0.86 -0.47 118.68 127.97 2iit s LEU 701 Ca 0.11 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2iit s LEU 701 Cb -0.10 -1.05 -0.02 0.00 0.50 0.00 0.00 46.19 45.52 2iit s LEU 701 CO 0.00 -0.10 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.63 2iit s LEU 702 N 1.56 2.88 -0.00 -0.68 2.96 0.07 -1.41 118.68 124.07 2iit s LEU 702 Ca 0.04 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 53.68 2iit s LEU 702 Cb -0.13 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 2iit s LEU 702 CO -0.09 0.12 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.34 2iit s ILE 703 N 0.65 0.68 -0.20 6.68 1.01 -0.69 -1.11 121.20 128.21 2iit s ILE 703 Ca -0.05 -0.39 -0.23 0.00 0.00 0.00 0.00 60.65 59.98 2iit s ILE 703 Cb -0.15 -0.57 0.06 0.00 0.01 0.00 0.00 42.46 41.81 2iit s ILE 703 CO 0.03 0.18 0.64 -2.28 0.00 0.00 0.00 174.94 173.50 2iit s HIS 704 N -0.23 -0.68 0.20 3.97 2.46 -0.90 -0.01 115.29 120.11 2iit s HIS 704 Ca 0.03 1.57 -0.25 0.00 0.47 0.00 0.00 55.06 56.88 2iit s HIS 704 Cb -0.03 0.26 -0.08 0.00 -0.13 0.00 0.00 32.58 32.59 2iit s HIS 704 CO -0.00 -0.39 0.81 0.20 -2.47 0.00 0.00 174.74 172.90 2iit s GLY 705 N 0.03 2.90 0.33 1.59 0.00 -1.26 -1.24 107.32 109.67 2iit s GLY 705 Ca -0.02 0.39 0.15 0.00 0.00 0.00 0.00 44.72 45.24 2iit s GLY 705 CO 0.02 0.88 1.69 -0.91 0.00 0.00 0.00 173.10 174.79 2iit h THR 706 N 3.14 1.11 -0.78 0.90 1.35 -1.11 -3.15 112.91 114.37 2iit h THR 706 Ca -0.47 -1.75 -0.32 0.00 -0.55 0.00 0.00 66.41 63.32 2iit h THR 706 Cb 1.20 2.01 -0.19 0.00 -1.73 0.00 0.00 68.15 69.44 2iit h THR 706 CO 0.66 0.46 0.40 0.00 -0.25 0.00 0.00 175.52 176.79 2iit n ALA 707 N -2.35 4.80 -2.11 6.62 0.00 -0.29 -4.72 120.51 122.47 2iit n ALA 707 Ca -0.01 -2.32 -0.42 0.00 0.00 0.00 0.00 53.44 50.69 2iit n ALA 707 Cb 0.55 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 2iit n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2iit s ASP 708 N -0.95 5.92 0.12 0.00 -1.08 -1.09 -4.39 116.67 115.19 2iit s ASP 708 Ca 0.51 0.99 0.25 0.00 -0.52 0.00 0.00 52.55 53.78 2iit s ASP 708 Cb 0.41 -2.53 0.55 0.00 -1.46 0.00 0.00 42.92 39.89 2iit s ASP 708 CO 0.11 -1.75 1.49 -0.90 0.52 0.00 0.00 175.17 174.65 2iit n ASP 709 N 10.27 0.65 0.00 -0.34 5.75 -1.26 -3.97 116.55 127.65 2iit n ASP 709 Ca 0.20 0.22 0.00 0.00 -0.01 0.00 0.00 54.79 55.20 2iit n ASP 709 Cb 0.48 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 2iit n ASP 709 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2iit n ASN 710 N -2.02 0.00 -4.45 -1.12 2.85 -1.26 -4.74 115.26 104.52 2iit n ASN 710 Ca 0.04 0.19 -0.43 0.00 -0.11 0.00 0.00 54.58 54.27 2iit n ASN 710 Cb 0.42 -0.39 -0.09 0.00 1.24 0.00 0.00 39.78 40.96 2iit n ASN 710 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2iit s VAL 711 N -0.78 5.15 0.43 3.44 1.01 -1.26 -4.82 120.40 123.57 2iit s VAL 711 Ca 0.00 -0.60 -0.25 0.00 0.00 0.00 0.00 61.98 61.13 2iit s VAL 711 Cb 0.00 -4.05 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 2iit s VAL 711 CO 0.00 -0.46 1.30 -1.00 0.00 0.00 0.00 175.10 174.93 2iit s HIS 712 N 1.95 2.74 0.48 5.22 3.76 -1.25 -4.69 115.29 123.49 2iit s HIS 712 Ca 0.09 1.41 0.28 0.00 -0.15 0.00 0.00 55.06 56.69 2iit s HIS 712 Cb -0.19 -3.66 1.35 0.00 1.11 0.00 0.00 32.58 31.19 2iit s HIS 712 CO 0.11 -2.17 1.79 0.35 -0.85 0.00 0.00 174.74 173.98 2iit h PHE 713 N 2.41 0.30 -0.99 1.40 3.57 -1.81 0.14 116.94 121.96 2iit h PHE 713 Ca -0.50 0.01 0.35 0.00 3.53 0.00 0.00 57.97 61.36 2iit h PHE 713 Cb 1.25 -0.09 -0.16 0.00 2.79 0.00 0.00 35.95 39.75 2iit h PHE 713 CO 0.52 0.02 0.52 0.37 -2.23 0.00 0.00 178.31 177.51 2iit h GLN 714 N 0.17 0.18 -0.52 1.11 4.15 -1.94 0.90 115.11 119.16 2iit h GLN 714 Ca 0.57 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.97 2iit h GLN 714 Cb 1.90 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 29.53 2iit h GLN 714 CO -0.14 0.12 0.29 1.96 -1.93 0.00 0.00 178.83 179.13 2iit h GLN 715 N 0.19 0.72 0.00 1.69 4.20 -1.02 0.61 115.11 121.49 2iit h GLN 715 Ca 0.76 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 59.26 2iit h GLN 715 Cb 1.84 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 29.46 2iit h GLN 715 CO -0.68 0.55 -0.60 0.77 -0.67 0.00 0.00 178.83 178.20 2iit h SER 716 N 0.69 0.00 -0.04 1.46 0.02 -1.14 -2.87 113.55 111.67 2iit h SER 716 Ca 0.18 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 2iit h SER 716 Cb 0.04 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2iit h SER 716 CO -0.03 0.60 -0.16 0.00 -1.14 0.00 0.00 176.83 176.10 2iit h ALA 717 N 1.40 1.31 0.00 3.77 0.00 -0.41 -0.72 119.26 124.61 2iit h ALA 717 Ca -0.01 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 2iit h ALA 717 Cb 1.40 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2iit h ALA 717 CO 0.08 0.46 -0.77 1.96 0.00 0.00 0.00 179.25 180.98 2iit h GLN 718 N 0.35 0.00 -0.04 0.00 1.08 -0.81 -2.46 115.11 113.22 2iit h GLN 718 Ca 0.06 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 2iit h GLN 718 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2iit h GLN 718 CO 0.03 0.77 -0.09 0.82 -0.95 0.00 0.00 178.83 179.41 2iit h ILE 719 N 0.00 1.43 -0.73 2.54 2.04 -1.23 -2.14 117.51 119.41 2iit h ILE 719 Ca -0.01 -1.40 0.02 0.00 1.00 0.00 0.00 64.86 64.47 2iit h ILE 719 Cb 1.52 2.25 -0.04 0.00 -0.74 0.00 0.00 36.82 39.81 2iit h ILE 719 CO 0.10 0.38 0.48 0.77 0.00 0.00 0.00 178.15 179.88 2iit h SER 720 N -0.37 0.81 -0.76 1.72 4.64 -1.20 -0.72 113.55 117.67 2iit h SER 720 Ca 0.00 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 2iit h SER 720 Cb 0.66 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.53 2iit h SER 720 CO 0.02 0.57 0.37 0.50 -0.87 0.00 0.00 176.83 177.42 2iit h LYS 721 N 0.95 1.09 -0.72 4.77 3.64 -1.44 0.53 116.57 125.40 2iit h LYS 721 Ca 0.28 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 2iit h LYS 721 Cb -0.05 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.54 2iit h LYS 721 CO -0.08 0.85 0.35 0.00 -2.27 0.00 0.00 179.45 178.29 2iit h ALA 722 N 1.19 0.93 -0.33 5.00 0.00 -0.76 0.75 119.26 126.03 2iit h ALA 722 Ca 0.26 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2iit h ALA 722 Cb 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2iit h ALA 722 CO -0.03 0.49 -0.11 -0.07 0.00 0.00 0.00 179.25 179.53 2iit h LEU 723 N 1.01 0.66 -0.37 0.00 3.38 -0.63 -2.71 115.31 116.66 2iit h LEU 723 Ca 0.25 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2iit h LEU 723 Cb 0.12 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2iit h LEU 723 CO -0.03 0.89 0.23 0.58 0.09 0.00 0.00 178.44 180.20 2iit h VAL 724 N 0.43 1.12 -0.68 1.22 2.07 -0.64 -0.06 116.25 119.70 2iit h VAL 724 Ca 0.08 -0.26 0.15 0.00 0.82 0.00 0.00 66.70 67.49 2iit h VAL 724 Cb 0.62 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 2iit h VAL 724 CO 0.04 0.12 0.46 0.44 0.02 0.00 0.00 177.57 178.65 2iit h ASP 725 N 0.48 0.26 -0.67 0.57 5.19 -0.65 0.40 116.42 122.00 2iit h ASP 725 Ca 0.13 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 2iit h ASP 725 Cb -0.01 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.46 2iit h ASP 725 CO -0.03 0.14 0.00 1.33 -3.12 0.00 0.00 179.24 177.56 2iit n VAL 726 N -4.44 1.10 -2.94 -1.35 0.24 -1.04 -4.97 118.33 104.93 2iit n VAL 726 Ca 0.13 -1.03 -0.10 0.00 -2.04 0.00 0.00 64.34 61.30 2iit n VAL 726 Cb 0.55 0.45 0.03 0.00 -1.47 0.00 0.00 33.84 33.41 2iit n VAL 726 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2iit n GLY 727 N 1.42 0.32 3.60 7.63 0.00 0.13 -4.99 105.19 113.30 2iit n GLY 727 Ca 0.23 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 2iit n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2iit s VAL 728 N -3.14 4.84 0.25 1.61 1.01 -0.08 -5.03 120.40 119.87 2iit s VAL 728 Ca 0.24 -0.01 -0.18 0.00 0.00 0.00 0.00 61.98 62.03 2iit s VAL 728 Cb -0.10 -3.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.97 2iit s VAL 728 CO 0.31 0.41 0.72 -0.62 0.00 0.00 0.00 175.10 175.92 2iit s ASP 729 N 0.79 6.97 0.29 3.32 2.15 -1.26 -4.45 116.67 124.49 2iit s ASP 729 Ca 0.05 1.37 -0.19 0.00 0.43 0.00 0.00 52.55 54.21 2iit s ASP 729 Cb -0.13 -2.40 0.06 0.00 -0.30 0.00 0.00 42.92 40.14 2iit s ASP 729 CO 0.02 -0.03 0.87 0.72 -0.17 0.00 0.00 175.17 176.57 2iit s PHE 730 N -1.65 0.04 0.00 -5.34 -0.71 -1.26 -4.77 117.98 104.29 2iit s PHE 730 Ca 0.46 -0.58 0.02 0.00 -1.04 0.00 0.00 56.93 55.80 2iit s PHE 730 Cb -0.15 0.77 -0.03 0.00 -1.21 0.00 0.00 43.02 42.39 2iit s PHE 730 CO 0.20 -1.28 -0.03 -0.65 -1.34 0.00 0.00 175.22 172.12 2iit s GLN 731 N -2.58 2.67 0.05 1.99 -1.52 0.38 -5.02 119.66 115.62 2iit s GLN 731 Ca 0.16 -0.67 -0.00 0.00 -1.95 0.00 0.00 55.36 52.90 2iit s GLN 731 Cb -0.04 -2.59 -0.03 0.00 -0.22 0.00 0.00 33.01 30.12 2iit s GLN 731 CO 0.08 0.61 -0.04 0.00 -0.25 0.00 0.00 175.29 175.70 2iit s ALA 732 N -1.05 0.48 -0.26 6.09 0.00 -1.26 -0.75 121.76 125.02 2iit s ALA 732 Ca 0.18 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 50.97 2iit s ALA 732 Cb -0.11 0.22 0.10 0.00 0.00 0.00 0.00 23.12 23.32 2iit s ALA 732 CO 0.09 -0.29 0.58 1.41 0.00 0.00 0.00 175.76 177.55 2iit s MET 733 N -3.24 0.54 0.12 0.00 0.00 -0.27 -4.93 119.30 111.53 2iit s MET 733 Ca 0.02 1.22 0.05 0.00 0.00 0.00 0.00 55.69 56.97 2iit s MET 733 Cb 0.03 0.44 -0.04 0.00 0.00 0.00 0.00 34.83 35.25 2iit s MET 733 CO -0.07 -0.19 0.08 1.67 0.00 0.00 0.00 175.02 176.51 2iit s TRP 734 N 2.28 3.11 -0.26 4.11 -2.14 -1.26 -2.12 118.94 122.65 2iit s TRP 734 Ca -0.07 0.00 0.02 0.00 2.66 0.00 0.00 56.10 58.72 2iit s TRP 734 Cb -0.09 -1.54 0.07 0.00 -3.10 0.00 0.00 33.47 28.80 2iit s TRP 734 CO -0.17 0.51 -0.07 0.71 -2.66 0.00 0.00 176.95 175.27 2iit s TYR 735 N -1.55 3.03 0.07 1.66 2.02 -0.37 -4.93 117.35 117.28 2iit s TYR 735 Ca 0.29 -2.23 -0.33 0.00 -0.37 0.00 0.00 57.07 54.43 2iit s TYR 735 Cb -0.11 -1.95 -0.13 0.00 -0.40 0.00 0.00 41.96 39.38 2iit s TYR 735 CO 0.22 -0.86 1.73 2.41 -1.57 0.00 0.00 175.55 177.48 2iit n THR 736 N 4.49 0.27 -1.34 -0.71 -1.04 -1.26 -1.14 114.28 113.55 2iit n THR 736 Ca -0.11 -0.05 -0.12 0.00 -2.04 0.00 0.00 64.05 61.74 2iit n THR 736 Cb 0.43 -1.77 -0.05 0.00 -1.82 0.00 0.00 70.33 67.12 2iit n THR 736 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2iit n ASP 737 N 4.96 -5.67 -4.88 8.00 8.00 -1.26 -4.87 116.55 120.83 2iit n ASP 737 Ca 0.19 0.29 -0.32 0.00 0.71 0.00 0.00 54.79 55.66 2iit n ASP 737 Cb 0.31 -4.19 -0.05 0.00 -0.02 0.00 0.00 41.12 37.17 2iit n ASP 737 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2iit s GLU 738 N -2.96 3.71 0.00 -1.24 0.41 -1.04 -4.63 118.70 112.95 2iit s GLU 738 Ca 0.00 0.09 0.00 0.00 -0.41 0.00 0.00 54.97 54.65 2iit s GLU 738 Cb 0.00 -2.77 0.00 0.00 -1.78 0.00 0.00 34.13 29.58 2iit s GLU 738 CO 0.00 0.41 0.00 -0.40 -0.49 0.00 0.00 175.26 174.78 2iit n ASP 739 N 0.06 0.40 0.06 -0.19 5.68 -1.26 -1.13 116.55 120.17 2iit n ASP 739 Ca -0.02 -0.32 0.20 0.00 -0.50 0.00 0.00 54.79 54.16 2iit n ASP 739 Cb 0.52 0.00 0.74 0.00 -1.14 0.00 0.00 41.12 41.24 2iit n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 2iit h HIS 740 N 0.06 0.00 0.00 2.11 -0.00 -1.91 -1.53 115.15 113.89 2iit h HIS 740 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2iit h HIS 740 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2iit h HIS 740 CO 0.00 0.00 -0.60 0.41 -0.00 0.00 0.00 177.93 177.74 2iit n GLY 741 N -1.55 -1.42 3.89 5.26 0.00 -1.26 -4.94 105.19 105.17 2iit n GLY 741 Ca 0.08 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 2iit n GLY 741 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2iit n ILE 742 N -2.11 -0.95 0.82 -0.61 5.41 -0.58 -4.80 119.36 116.56 2iit n ILE 742 Ca 0.03 -0.39 0.10 0.00 1.00 0.00 0.00 62.75 63.50 2iit n ILE 742 Cb 0.44 -0.90 0.08 0.00 -0.71 0.00 0.00 39.64 38.55 2iit n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2iit n ALA 743 N -3.77 2.47 -1.72 -1.39 0.00 -1.26 -3.83 120.51 111.01 2iit n ALA 743 Ca -0.22 -0.66 -0.39 0.00 0.00 0.00 0.00 53.44 52.17 2iit n ALA 743 Cb 0.51 -0.67 0.04 0.00 0.00 0.00 0.00 19.45 19.33 2iit n ALA 743 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2iit n SER 744 N 1.12 2.40 -0.15 0.00 3.41 -1.26 -4.73 113.62 114.40 2iit n SER 744 Ca 0.12 0.96 -0.04 0.00 -0.26 0.00 0.00 58.87 59.65 2iit n SER 744 Cb 0.50 -1.55 0.03 0.00 -0.26 0.00 0.00 64.21 62.93 2iit n SER 744 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2iit h SER 745 N 1.30 -0.47 -0.38 4.04 0.87 -1.99 0.67 113.55 117.59 2iit h SER 745 Ca -0.50 0.14 -0.13 0.00 -1.23 0.00 0.00 61.79 60.07 2iit h SER 745 Cb 1.31 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 63.57 2iit h SER 745 CO 0.56 -0.17 -0.29 0.71 -0.53 0.00 0.00 176.83 177.12 2iit h THR 746 N -0.01 1.28 -0.36 2.23 1.35 -1.98 -2.81 112.91 112.59 2iit h THR 746 Ca 0.23 -1.45 -0.13 0.00 -0.55 0.00 0.00 66.41 64.51 2iit h THR 746 Cb 0.36 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 2iit h THR 746 CO -0.49 0.48 -0.29 0.00 -0.25 0.00 0.00 175.52 174.97 2iit h ALA 747 N 0.78 0.80 -0.54 6.62 0.00 -1.85 0.38 119.26 125.46 2iit h ALA 747 Ca 0.07 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.61 2iit h ALA 747 Cb 0.86 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2iit h ALA 747 CO 0.08 0.65 0.30 1.25 0.00 0.00 0.00 179.25 181.52 2iit h HIS 748 N 0.66 0.55 -0.10 0.00 2.76 -0.85 0.21 115.15 118.38 2iit h HIS 748 Ca 0.08 0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 58.09 2iit h HIS 748 Cb 0.83 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.61 2iit h HIS 748 CO 0.04 0.29 -0.68 1.96 -1.30 0.00 0.00 177.93 178.24 2iit h GLN 749 N 0.58 0.42 -0.25 5.26 4.20 -1.24 -3.00 115.11 121.08 2iit h GLN 749 Ca 0.23 -0.32 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 2iit h GLN 749 Cb 0.09 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2iit h GLN 749 CO -0.13 0.94 -0.08 1.25 -0.67 0.00 0.00 178.83 180.14 2iit h HIS 750 N 0.29 0.56 -0.55 2.96 2.76 -0.28 -2.25 115.15 118.64 2iit h HIS 750 Ca -0.02 -0.13 -0.08 0.00 -2.20 0.00 0.00 60.37 57.94 2iit h HIS 750 Cb 1.24 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 30.04 2iit h HIS 750 CO 0.04 0.73 0.01 0.97 -1.30 0.00 0.00 177.93 178.39 2iit h ILE 751 N 0.23 1.26 -0.09 6.26 2.10 -0.63 -0.79 117.51 125.85 2iit h ILE 751 Ca 0.06 -1.09 -0.13 0.00 1.08 0.00 0.00 64.86 64.78 2iit h ILE 751 Cb 0.56 0.87 -0.01 0.00 -1.09 0.00 0.00 36.82 37.15 2iit h ILE 751 CO 0.03 0.39 -0.51 1.88 -1.08 0.00 0.00 178.15 178.86 2iit h TYR 752 N 0.85 0.30 -0.44 2.19 0.05 -1.57 0.16 116.97 118.51 2iit h TYR 752 Ca 0.16 -0.10 -0.04 0.00 0.05 0.00 0.00 58.73 58.80 2iit h TYR 752 Cb 0.52 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.18 2iit h TYR 752 CO 0.04 0.71 0.12 1.15 -1.05 0.00 0.00 178.16 179.13 2iit h THR 753 N 0.20 1.23 -0.49 -2.88 2.02 -1.21 -0.30 112.91 111.48 2iit h THR 753 Ca 0.01 -0.78 -0.07 0.00 0.77 0.00 0.00 66.41 66.34 2iit h THR 753 Cb 0.97 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 2iit h THR 753 CO 0.08 0.28 0.05 -0.74 0.37 0.00 0.00 175.52 175.56 2iit h HIS 754 N 0.58 0.90 -0.11 3.16 -0.00 -0.79 -2.53 115.15 116.36 2iit h HIS 754 Ca 0.14 -0.14 -0.09 0.00 -0.00 0.00 0.00 60.37 60.29 2iit h HIS 754 Cb 0.30 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.45 2iit h HIS 754 CO 0.02 0.83 -0.34 0.52 -0.00 0.00 0.00 177.93 178.96 2iit h MET 755 N 0.71 0.21 -0.41 5.26 2.07 -0.84 -2.61 114.93 119.32 2iit h MET 755 Ca 0.15 -0.08 -0.03 0.00 -2.07 0.00 0.00 59.70 57.66 2iit h MET 755 Cb 0.44 -0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 30.14 2iit h MET 755 CO 0.01 0.53 0.14 0.77 1.07 0.00 0.00 176.91 179.43 2iit h SER 756 N 0.18 0.58 -0.33 1.22 0.02 -0.77 -0.76 113.55 113.69 2iit h SER 756 Ca 0.02 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 2iit h SER 756 Cb 0.69 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 2iit h SER 756 CO 0.05 0.62 0.18 0.45 -1.14 0.00 0.00 176.83 176.99 2iit h HIS 757 N 0.51 0.45 -0.58 3.45 3.86 -1.31 -0.24 115.15 121.30 2iit h HIS 757 Ca 0.13 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2iit h HIS 757 Cb 0.23 -0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 2iit h HIS 757 CO 0.01 0.37 0.38 0.35 0.86 0.00 0.00 177.93 179.89 2iit h PHE 758 N 0.41 0.74 -0.24 2.45 3.57 -1.31 0.19 116.94 122.75 2iit h PHE 758 Ca 0.12 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 2iit h PHE 758 Cb 0.07 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2iit h PHE 758 CO -0.03 0.48 0.07 0.82 -2.23 0.00 0.00 178.31 177.42 2iit h ILE 759 N 0.79 1.20 -0.78 1.41 1.08 -0.91 -0.99 117.51 119.31 2iit h ILE 759 Ca 0.21 -0.66 -0.03 0.00 -0.39 0.00 0.00 64.86 63.99 2iit h ILE 759 Cb -0.07 1.18 -0.04 0.00 -3.07 0.00 0.00 36.82 34.82 2iit h ILE 759 CO -0.04 0.21 0.38 0.11 -0.69 0.00 0.00 178.15 178.12 2iit h LYS 760 N 0.22 1.11 0.03 2.37 1.57 -0.85 -1.14 116.57 119.90 2iit h LYS 760 Ca 0.08 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2iit h LYS 760 Cb 0.26 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2iit h LYS 760 CO -0.00 0.85 -0.02 0.37 -0.57 0.00 0.00 179.45 180.08 2iit h GLN 761 N 1.11 -0.04 -0.57 3.15 -0.00 -0.85 0.56 115.11 118.46 2iit h GLN 761 Ca 0.27 0.00 0.07 0.00 -0.00 0.00 0.00 58.65 58.99 2iit h GLN 761 Cb 0.10 0.01 -0.03 0.00 0.00 0.00 0.00 27.48 27.55 2iit h GLN 761 CO -0.04 0.32 0.38 0.00 0.00 0.00 0.00 178.83 179.49 2iit n PHE 763 N -4.47 0.00 -3.43 0.00 3.72 -0.45 -4.95 117.46 107.88 2iit n PHE 763 Ca 0.08 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.31 2iit n PHE 763 Cb 0.25 -0.03 0.09 0.00 -0.94 0.00 0.00 39.48 38.86 2iit n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2iit n SER 764 N 0.03 -2.17 -4.68 4.37 7.64 0.02 -4.99 113.62 113.84 2iit n SER 764 Ca 0.17 -0.62 -0.35 0.00 1.01 0.00 0.00 58.87 59.08 2iit n SER 764 Cb 0.37 -5.13 -0.09 0.00 -1.01 0.00 0.00 64.21 58.35 2iit n SER 764 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2iit s LEU 765 N -6.39 3.74 0.00 -3.43 1.43 0.17 -5.02 118.68 109.19 2iit s LEU 765 Ca 0.02 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 2iit s LEU 765 Cb -0.01 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.32 2iit s LEU 765 CO 0.73 0.31 0.36 -2.65 0.23 0.00 0.00 176.35 175.32