#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwf n ARG 40 N 0.00 0.00 -1.99 1.43 3.00 -1.26 -4.02 116.66 113.82 3kwf n ARG 40 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.85 57.44 3kwf n ARG 40 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.46 3kwf n ARG 40 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3kwf s LYS 41 N 0.00 4.04 0.29 5.56 2.20 -1.26 -4.73 119.74 125.85 3kwf s LYS 41 Ca 0.00 2.27 0.06 0.00 -0.36 0.00 0.00 55.97 57.94 3kwf s LYS 41 Cb 0.00 -2.85 -0.02 0.00 -1.51 0.00 0.00 37.83 33.45 3kwf s LYS 41 CO 0.00 -0.47 0.39 -0.08 -0.36 0.00 0.00 175.35 174.83 3kwf s THR 42 N -1.20 4.50 -0.43 3.43 -1.32 -1.26 0.22 115.64 119.58 3kwf s THR 42 Ca 0.55 -1.06 -0.28 0.00 -1.21 0.00 0.00 61.69 59.69 3kwf s THR 42 Cb -0.41 -3.56 0.02 0.00 -1.51 0.00 0.00 72.50 67.05 3kwf s THR 42 CO 0.53 -0.24 1.05 -0.47 -2.21 0.00 0.00 174.62 173.28 3kwf s TYR 43 N -2.11 2.93 0.40 9.09 5.04 -1.26 -4.83 117.35 126.61 3kwf s TYR 43 Ca 0.39 0.73 0.01 0.00 -2.44 0.00 0.00 57.07 55.76 3kwf s TYR 43 Cb -0.09 -4.09 -0.02 0.00 0.35 0.00 0.00 41.96 38.12 3kwf s TYR 43 CO 0.29 -1.08 0.60 0.99 -1.34 0.00 0.00 175.55 175.02 3kwf s THR 44 N 4.01 4.56 0.17 4.34 2.01 -1.26 -3.89 115.64 125.57 3kwf s THR 44 Ca 0.44 -0.49 -0.15 0.00 0.31 0.00 0.00 61.69 61.80 3kwf s THR 44 Cb -0.09 -3.67 0.04 0.00 0.01 0.00 0.00 72.50 68.79 3kwf s THR 44 CO 0.26 -0.45 1.80 0.25 -0.69 0.00 0.00 174.62 175.79 3kwf h LEU 45 N 0.59 0.39 -1.65 4.42 5.85 -1.95 -2.14 115.31 120.82 3kwf h LEU 45 Ca -0.48 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 3kwf h LEU 45 Cb 1.24 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 3kwf h LEU 45 CO 0.59 0.28 -0.15 0.74 -0.34 0.00 0.00 178.44 179.56 3kwf h THR 46 N 0.50 0.55 -0.34 1.05 2.02 -1.97 0.25 112.91 114.97 3kwf h THR 46 Ca 0.18 -0.73 -0.10 0.00 0.77 0.00 0.00 66.41 66.53 3kwf h THR 46 Cb 0.04 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 3kwf h THR 46 CO -0.10 0.15 -0.19 0.44 0.37 0.00 0.00 175.52 176.19 3kwf h ASP 47 N 0.00 0.76 0.40 4.18 3.32 -1.87 -0.33 116.42 122.89 3kwf h ASP 47 Ca -0.00 -0.42 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 3kwf h ASP 47 Cb 0.47 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3kwf h ASP 47 CO 0.02 1.01 -0.19 0.22 -1.72 0.00 0.00 179.24 178.58 3kwf h TYR 48 N 0.50 -0.50 -0.12 4.55 3.20 -0.66 -2.00 116.97 121.94 3kwf h TYR 48 Ca 0.07 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 3kwf h TYR 48 Cb 0.74 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 3kwf h TYR 48 CO 0.06 -0.20 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.17 3kwf h LEU 49 N -0.78 0.18 -2.11 2.82 4.07 -0.58 -3.01 115.31 115.91 3kwf h LEU 49 Ca -0.06 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.87 3kwf h LEU 49 Cb 0.53 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.22 3kwf h LEU 49 CO 0.09 0.35 0.00 0.29 -1.08 0.00 0.00 178.44 178.09 3kwf n LYS 50 N -4.28 2.08 -3.71 1.13 4.76 -0.13 -4.98 118.16 113.04 3kwf n LYS 50 Ca -0.01 -1.94 -0.24 0.00 -2.87 0.00 0.00 58.31 53.25 3kwf n LYS 50 Cb 0.27 -1.41 0.03 0.00 -1.84 0.00 0.00 35.03 32.08 3kwf n LYS 50 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3kwf n ASN 51 N 1.17 -2.48 -0.32 4.39 2.85 -0.81 -4.88 115.26 115.19 3kwf n ASN 51 Ca 0.15 -0.90 -0.02 0.00 -0.11 0.00 0.00 54.58 53.70 3kwf n ASN 51 Cb 0.52 -3.80 0.10 0.00 1.24 0.00 0.00 39.78 37.84 3kwf n ASN 51 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3kwf h THR 52 N -1.81 1.18 -3.50 -0.44 2.02 -1.68 -3.36 112.91 105.33 3kwf h THR 52 Ca -0.63 -0.39 -0.70 0.00 0.77 0.00 0.00 66.41 65.46 3kwf h THR 52 Cb 1.36 -0.05 -0.34 0.00 -1.74 0.00 0.00 68.15 67.38 3kwf h THR 52 CO 0.54 0.21 -0.43 -0.31 0.37 0.00 0.00 175.52 175.90 3kwf s TYR 53 N -6.11 3.50 -0.01 3.16 2.02 -1.26 -5.07 117.35 113.57 3kwf s TYR 53 Ca -0.13 -2.47 -0.24 0.00 -0.37 0.00 0.00 57.07 53.86 3kwf s TYR 53 Cb 0.17 -3.27 -0.04 0.00 -0.40 0.00 0.00 41.96 38.42 3kwf s TYR 53 CO 0.80 -0.92 0.74 1.03 -1.57 0.00 0.00 175.55 175.63 3kwf s ARG 54 N 0.62 4.46 0.10 -0.62 0.52 -1.26 -5.05 118.95 117.72 3kwf s ARG 54 Ca 0.12 0.99 -0.30 0.00 -0.52 0.00 0.00 55.73 56.02 3kwf s ARG 54 Cb -0.22 -3.41 -0.06 0.00 0.52 0.00 0.00 34.95 31.79 3kwf s ARG 54 CO -0.04 0.16 1.08 -0.51 0.02 0.00 0.00 175.30 176.02 3kwf s LEU 55 N 0.41 4.44 0.28 2.53 1.43 -1.26 -4.82 118.68 121.68 3kwf s LEU 55 Ca 0.39 1.93 -0.16 0.00 -1.03 0.00 0.00 54.13 55.26 3kwf s LEU 55 Cb -0.19 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.36 3kwf s LEU 55 CO 0.21 -0.27 0.71 -0.54 0.23 0.00 0.00 176.35 176.68 3kwf s LYS 56 N 0.35 4.05 0.46 1.70 1.02 -1.26 -5.10 119.74 120.96 3kwf s LYS 56 Ca 0.52 0.67 0.03 0.00 0.02 0.00 0.00 55.97 57.21 3kwf s LYS 56 Cb -0.27 -2.59 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 3kwf s LYS 56 CO 0.31 0.25 0.04 -0.51 -0.92 0.00 0.00 175.35 174.53 3kwf s LEU 57 N -2.65 2.27 -0.45 3.17 1.43 -1.26 -4.91 118.68 116.28 3kwf s LEU 57 Ca 0.50 -1.61 0.06 0.00 -1.03 0.00 0.00 54.13 52.05 3kwf s LEU 57 Cb -0.12 -0.55 0.20 0.00 0.03 0.00 0.00 46.19 45.76 3kwf s LEU 57 CO 0.19 -0.81 0.58 0.00 0.23 0.00 0.00 176.35 176.54 3kwf n TYR 58 N -1.09 -2.04 -2.86 0.29 4.19 -1.26 -4.95 117.16 109.45 3kwf n TYR 58 Ca -0.13 -2.56 -0.42 0.00 3.31 0.00 0.00 57.90 58.10 3kwf n TYR 58 Cb 0.66 0.70 -0.04 0.00 0.49 0.00 0.00 39.34 41.15 3kwf n TYR 58 CO 0.00 0.00 0.00 -1.12 0.91 0.00 0.00 176.86 176.65 3kwf s SER 59 N -0.30 6.64 0.20 2.98 0.01 -1.26 -5.04 113.70 116.94 3kwf s SER 59 Ca 0.32 0.51 0.10 0.00 1.31 0.00 0.00 55.95 58.19 3kwf s SER 59 Cb 0.09 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 3kwf s SER 59 CO -0.15 -0.81 -0.16 -1.48 0.41 0.00 0.00 173.24 171.05 3kwf s LEU 60 N 3.34 2.74 -0.32 2.44 -0.00 -1.26 -4.58 118.68 121.04 3kwf s LEU 60 Ca 0.36 -0.75 0.02 0.00 -0.00 0.00 0.00 54.13 53.76 3kwf s LEU 60 Cb -0.12 -1.41 0.08 0.00 -0.00 0.00 0.00 46.19 44.74 3kwf s LEU 60 CO 0.18 0.09 0.02 -0.13 -0.00 0.00 0.00 176.35 176.52 3kwf s ARG 61 N -2.92 1.94 0.13 1.48 0.52 0.24 -4.95 118.95 115.39 3kwf s ARG 61 Ca 0.24 -1.61 -0.33 0.00 -0.52 0.00 0.00 55.73 53.51 3kwf s ARG 61 Cb -0.08 -3.18 -0.13 0.00 0.52 0.00 0.00 34.95 32.09 3kwf s ARG 61 CO 0.13 -0.80 1.68 0.91 0.02 0.00 0.00 175.30 177.24 3kwf n TRP 62 N 4.42 2.40 0.14 -0.53 7.02 -1.26 -0.38 117.44 129.25 3kwf n TRP 62 Ca -0.05 0.14 0.02 0.00 -1.02 0.00 0.00 57.50 56.59 3kwf n TRP 62 Cb 0.42 -2.60 0.02 0.00 -2.42 0.00 0.00 31.31 26.72 3kwf n TRP 62 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 3kwf n ILE 63 N 3.91 0.05 -3.40 -0.99 -5.35 -0.58 -4.90 119.36 108.10 3kwf n ILE 63 Ca 0.18 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 3kwf n ILE 63 Cb 0.31 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.25 3kwf n ILE 63 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3kwf n SER 64 N 0.19 0.00 0.25 7.28 3.41 -1.19 -4.96 113.62 118.59 3kwf n SER 64 Ca 0.02 -0.98 0.10 0.00 -0.26 0.00 0.00 58.87 57.74 3kwf n SER 64 Cb 0.10 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 64.70 3kwf n SER 64 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3kwf h ASP 65 N 0.00 0.00 0.00 4.04 2.03 -1.93 -3.08 116.42 117.47 3kwf h ASP 65 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3kwf h ASP 65 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3kwf h ASP 65 CO 0.00 0.14 0.00 0.00 -1.03 0.00 0.00 179.24 178.35 3kwf n HIS 66 N -3.95 0.00 -4.17 4.15 1.44 -1.26 -4.40 115.22 107.03 3kwf n HIS 66 Ca -0.02 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.51 3kwf n HIS 66 Cb 0.23 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.22 3kwf n HIS 66 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3kwf s GLU 67 N 0.00 0.82 0.06 -1.40 2.02 -1.26 -0.64 118.70 118.30 3kwf s GLU 67 Ca 0.00 -0.96 0.01 0.00 0.02 0.00 0.00 54.97 54.03 3kwf s GLU 67 Cb 0.00 -0.80 -0.03 0.00 0.10 0.00 0.00 34.13 33.39 3kwf s GLU 67 CO 0.00 0.17 -0.05 1.52 0.02 0.00 0.00 175.26 176.93 3kwf s TYR 68 N -1.34 0.62 0.02 1.61 -0.85 -0.76 -1.53 117.35 115.13 3kwf s TYR 68 Ca -0.02 -0.84 -0.02 0.00 -0.52 0.00 0.00 57.07 55.67 3kwf s TYR 68 Cb -0.10 -0.40 -0.04 0.00 0.38 0.00 0.00 41.96 41.80 3kwf s TYR 68 CO 0.02 -0.22 0.21 -0.51 -1.52 0.00 0.00 175.55 173.53 3kwf s LEU 69 N -2.50 4.36 -0.18 -3.49 1.43 0.49 -0.02 118.68 118.77 3kwf s LEU 69 Ca 0.02 0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 53.41 3kwf s LEU 69 Cb 0.01 -2.76 0.08 0.00 0.03 0.00 0.00 46.19 43.55 3kwf s LEU 69 CO -0.05 0.22 0.40 -0.47 0.23 0.00 0.00 176.35 176.69 3kwf s TYR 70 N -1.39 -0.70 -0.06 0.29 5.04 -0.15 -0.60 117.35 119.78 3kwf s TYR 70 Ca 0.30 1.40 -0.14 0.00 -2.44 0.00 0.00 57.07 56.19 3kwf s TYR 70 Cb -0.13 0.26 -0.05 0.00 0.35 0.00 0.00 41.96 42.40 3kwf s TYR 70 CO 0.21 -0.43 0.37 -1.59 -1.34 0.00 0.00 175.55 172.78 3kwf s LYS 71 N 2.20 3.99 -0.04 4.97 -2.85 -1.26 0.81 119.74 127.56 3kwf s LYS 71 Ca -0.04 0.30 -0.02 0.00 -1.00 0.00 0.00 55.97 55.22 3kwf s LYS 71 Cb -0.11 -3.29 0.03 0.00 -2.06 0.00 0.00 37.83 32.40 3kwf s LYS 71 CO -0.12 0.54 0.05 -1.14 0.10 0.00 0.00 175.35 174.77 3kwf s GLN 72 N -0.54 0.03 7.54 1.78 0.74 0.21 -4.95 119.66 124.48 3kwf s GLN 72 Ca 0.22 0.33 0.00 0.00 0.05 0.00 0.00 55.36 55.96 3kwf s GLN 72 Cb -0.15 -0.57 0.00 0.00 1.10 0.00 0.00 33.01 33.38 3kwf s GLN 72 CO 0.10 -0.32 0.00 0.39 -0.55 0.00 0.00 175.29 174.91 3kwf n GLU 73 N 5.23 0.00 -0.20 1.67 1.02 -1.26 -1.30 120.64 125.80 3kwf n GLU 73 Ca -0.05 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.16 3kwf n GLU 73 Cb 0.50 0.00 0.17 0.00 -0.02 0.00 0.00 31.44 32.09 3kwf n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3kwf n ASN 74 N 8.55 3.03 -4.75 1.62 4.13 -1.26 -5.00 115.26 121.58 3kwf n ASN 74 Ca 0.00 -1.97 -0.39 0.00 1.68 0.00 0.00 54.58 53.90 3kwf n ASN 74 Cb 0.00 -0.26 -0.06 0.00 -1.54 0.00 0.00 39.78 37.93 3kwf n ASN 74 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3kwf s ASN 75 N -1.01 6.90 -0.28 6.41 0.01 -0.42 -4.06 114.94 122.49 3kwf s ASN 75 Ca 0.27 1.08 -0.22 0.00 -0.71 0.00 0.00 52.86 53.27 3kwf s ASN 75 Cb 0.14 -2.35 -0.01 0.00 0.41 0.00 0.00 41.25 39.44 3kwf s ASN 75 CO 0.19 0.06 0.72 -0.63 -1.51 0.00 0.00 177.10 175.92 3kwf s ILE 76 N 0.10 4.88 0.08 0.60 1.01 -0.83 0.64 121.20 127.68 3kwf s ILE 76 Ca 0.30 1.16 0.01 0.00 0.00 0.00 0.00 60.65 62.13 3kwf s ILE 76 Cb -0.17 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 3kwf s ILE 76 CO 0.16 -0.13 0.21 -0.76 0.00 0.00 0.00 174.94 174.41 3kwf s LEU 77 N 2.75 4.27 -0.16 2.97 1.43 0.24 -0.01 118.68 130.17 3kwf s LEU 77 Ca 0.30 0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 53.58 3kwf s LEU 77 Cb -0.15 -2.87 -0.02 0.00 0.03 0.00 0.00 46.19 43.18 3kwf s LEU 77 CO 0.10 0.15 -0.07 0.54 0.23 0.00 0.00 176.35 177.30 3kwf s VAL 78 N -1.55 3.52 -0.08 -1.59 0.11 0.72 -0.97 120.40 120.56 3kwf s VAL 78 Ca 0.34 -0.48 0.01 0.00 -2.93 0.00 0.00 61.98 58.92 3kwf s VAL 78 Cb -0.12 -2.53 -0.03 0.00 -1.53 0.00 0.00 36.38 32.17 3kwf s VAL 78 CO 0.27 0.49 -0.10 -0.36 -3.33 0.00 0.00 175.10 172.07 3kwf s PHE 79 N 0.55 2.85 -0.26 1.54 0.40 0.97 -1.98 117.98 122.06 3kwf s PHE 79 Ca -0.05 -0.19 -0.20 0.00 -0.60 0.00 0.00 56.93 55.89 3kwf s PHE 79 Cb -0.15 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.63 3kwf s PHE 79 CO 0.03 0.15 0.60 1.21 0.70 0.00 0.00 175.22 177.91 3kwf s ASN 80 N -0.45 6.53 0.06 1.36 3.84 -0.07 -1.82 114.94 124.40 3kwf s ASN 80 Ca 0.06 0.63 -0.19 0.00 0.21 0.00 0.00 52.86 53.57 3kwf s ASN 80 Cb -0.12 -2.32 -0.12 0.00 -0.55 0.00 0.00 41.25 38.14 3kwf s ASN 80 CO 0.02 -0.36 1.42 0.00 -2.79 0.00 0.00 177.10 175.39 3kwf h ALA 81 N 7.96 0.27 -0.54 1.71 0.00 -1.20 0.14 119.26 127.59 3kwf h ALA 81 Ca -0.27 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 3kwf h ALA 81 Cb 1.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3kwf h ALA 81 CO 0.76 0.09 0.07 1.49 0.00 0.00 0.00 179.25 181.65 3kwf h GLU 82 N 0.09 0.87 0.00 0.00 4.57 -1.95 -3.36 114.58 114.80 3kwf h GLU 82 Ca 0.04 -0.21 -0.21 0.00 -1.18 0.00 0.00 59.36 57.80 3kwf h GLU 82 Cb 0.56 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.00 3kwf h GLU 82 CO 0.03 0.82 -1.80 0.66 -1.18 0.00 0.00 179.01 177.54 3kwf n TYR 83 N -4.23 0.00 0.00 0.92 4.01 -1.23 -5.02 117.16 111.60 3kwf n TYR 83 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 3kwf n TYR 83 Cb 0.27 -0.57 0.00 0.00 -0.31 0.00 0.00 39.34 38.73 3kwf n TYR 83 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kwf n GLY 84 N 2.26 1.29 3.77 2.72 0.00 0.47 -5.06 105.19 110.64 3kwf n GLY 84 Ca -0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 3kwf n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kwf s ASN 85 N -2.12 5.19 -0.04 1.61 4.22 -1.26 -4.69 114.94 117.85 3kwf s ASN 85 Ca 0.00 2.09 -0.16 0.00 -2.14 0.00 0.00 52.86 52.65 3kwf s ASN 85 Cb 0.00 -2.56 0.03 0.00 1.28 0.00 0.00 41.25 40.00 3kwf s ASN 85 CO 0.00 -1.58 0.36 -0.94 -2.04 0.00 0.00 177.10 172.90 3kwf s SER 86 N -2.28 -0.27 0.26 3.54 1.04 -1.26 -0.89 113.70 113.83 3kwf s SER 86 Ca 0.70 0.25 0.05 0.00 0.48 0.00 0.00 55.95 57.43 3kwf s SER 86 Cb -0.23 0.40 -0.05 0.00 0.10 0.00 0.00 66.02 66.24 3kwf s SER 86 CO 0.38 -0.42 -0.02 -0.44 0.98 0.00 0.00 173.24 173.71 3kwf s SER 87 N -1.10 2.25 -0.18 7.02 0.01 -0.83 -4.97 113.70 115.90 3kwf s SER 87 Ca -0.11 -1.21 -0.29 0.00 1.31 0.00 0.00 55.95 55.64 3kwf s SER 87 Cb -0.04 -0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.11 3kwf s SER 87 CO 0.04 -0.45 1.13 0.54 0.41 0.00 0.00 173.24 174.91 3kwf s VAL 88 N -3.24 4.51 -0.10 3.43 0.11 -1.26 -0.20 120.40 123.64 3kwf s VAL 88 Ca 0.29 1.82 -0.23 0.00 -2.93 0.00 0.00 61.98 60.94 3kwf s VAL 88 Cb 0.05 -4.17 -0.19 0.00 -1.53 0.00 0.00 36.38 30.53 3kwf s VAL 88 CO 0.10 -0.12 0.73 0.15 -3.33 0.00 0.00 175.10 172.62 3kwf h PHE 89 N 7.67 -0.04 -3.29 1.54 3.57 -0.72 -3.46 116.94 122.20 3kwf h PHE 89 Ca -0.24 -0.00 -0.44 0.00 3.53 0.00 0.00 57.97 60.82 3kwf h PHE 89 Cb 1.10 0.01 -0.37 0.00 2.79 0.00 0.00 35.95 39.48 3kwf h PHE 89 CO 0.76 0.64 -0.77 -1.17 -2.23 0.00 0.00 178.31 175.54 3kwf s LEU 90 N -8.53 0.79 0.32 0.59 1.98 -0.80 -5.02 118.68 108.00 3kwf s LEU 90 Ca -0.14 -0.11 -0.28 0.00 -2.89 0.00 0.00 54.13 50.71 3kwf s LEU 90 Cb -0.01 -0.47 -0.09 0.00 0.66 0.00 0.00 46.19 46.27 3kwf s LEU 90 CO 0.54 -0.16 1.09 -1.61 -1.89 0.00 0.00 176.35 174.32 3kwf s GLU 91 N 1.73 4.46 0.59 1.98 2.02 -1.26 -1.97 118.70 126.24 3kwf s GLU 91 Ca 0.02 1.73 0.28 0.00 0.02 0.00 0.00 54.97 57.02 3kwf s GLU 91 Cb -0.13 -2.97 1.68 0.00 0.10 0.00 0.00 34.13 32.82 3kwf s GLU 91 CO -0.04 0.07 2.14 -2.95 0.02 0.00 0.00 175.26 174.50 3kwf h ASN 92 N 3.35 0.00 0.76 -0.19 7.08 -1.95 -2.59 115.58 122.04 3kwf h ASN 92 Ca -0.47 0.00 -0.11 0.00 -3.08 0.00 0.00 56.30 52.64 3kwf h ASN 92 Cb 1.21 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.44 3kwf h ASN 92 CO 0.65 0.00 -0.52 0.77 -2.08 0.00 0.00 177.43 176.25 3kwf h SER 93 N 0.00 0.00 -0.99 6.14 4.64 -1.92 -3.37 113.55 118.06 3kwf h SER 93 Ca 0.06 0.00 0.30 0.00 -0.47 0.00 0.00 61.79 61.68 3kwf h SER 93 Cb 0.35 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.25 3kwf h SER 93 CO -0.00 0.52 0.15 0.74 -0.87 0.00 0.00 176.83 177.37 3kwf h THR 94 N 0.00 0.03 -1.87 2.95 2.02 -1.86 -1.97 112.91 112.21 3kwf h THR 94 Ca -0.01 -0.01 -0.65 0.00 0.77 0.00 0.00 66.41 66.52 3kwf h THR 94 Cb 1.05 0.01 -0.37 0.00 -1.74 0.00 0.00 68.15 67.09 3kwf h THR 94 CO 0.07 0.00 -0.15 0.49 0.37 0.00 0.00 175.52 176.30 3kwf n PHE 95 N -5.43 3.41 0.01 3.16 3.72 -1.26 -4.68 117.46 116.40 3kwf n PHE 95 Ca 0.26 -3.10 -0.19 0.00 -0.05 0.00 0.00 57.45 54.38 3kwf n PHE 95 Cb 0.87 -0.52 -0.10 0.00 -0.94 0.00 0.00 39.48 38.79 3kwf n PHE 95 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3kwf h ASP 96 N 2.93 0.81 -0.80 4.37 3.32 -1.62 -3.32 116.42 122.11 3kwf h ASP 96 Ca 0.34 -0.72 -0.44 0.00 0.02 0.00 0.00 57.03 56.24 3kwf h ASP 96 Cb 0.57 -0.24 -0.24 0.00 0.22 0.00 0.00 39.33 39.63 3kwf h ASP 96 CO 1.00 1.41 0.56 -0.62 -1.72 0.00 0.00 179.24 179.87 3kwf n GLU 97 N -3.99 2.07 0.11 3.56 -0.58 -1.26 -4.47 120.64 116.08 3kwf n GLU 97 Ca -0.10 -2.45 -0.23 0.00 -0.42 0.00 0.00 57.16 53.96 3kwf n GLU 97 Cb 0.78 -1.96 -0.15 0.00 -0.57 0.00 0.00 31.44 29.54 3kwf n GLU 97 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 3kwf h PHE 98 N 0.99 0.89 0.00 -0.32 3.57 -1.91 -3.48 116.94 116.68 3kwf h PHE 98 Ca 0.51 -0.63 0.00 0.00 3.53 0.00 0.00 57.97 61.38 3kwf h PHE 98 Cb 2.19 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.88 3kwf h PHE 98 CO 1.26 1.49 0.00 0.41 -2.23 0.00 0.00 178.31 179.24 3kwf n GLY 99 N 1.64 0.60 3.00 2.40 0.00 -1.26 -5.05 105.19 106.52 3kwf n GLY 99 Ca -0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 3kwf n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kwf s HIS 100 N -2.21 -0.03 0.07 1.61 3.76 -1.26 -5.13 115.29 112.10 3kwf s HIS 100 Ca 0.00 0.09 -0.31 0.00 -0.15 0.00 0.00 55.06 54.69 3kwf s HIS 100 Cb 0.00 -0.01 -0.06 0.00 1.11 0.00 0.00 32.58 33.62 3kwf s HIS 100 CO 0.00 -0.12 1.26 -1.54 -0.85 0.00 0.00 174.74 173.50 3kwf s SER 101 N -0.42 6.99 0.14 1.40 1.04 -1.26 -5.01 113.70 116.58 3kwf s SER 101 Ca -0.05 2.10 -0.30 0.00 0.48 0.00 0.00 55.95 58.18 3kwf s SER 101 Cb -0.03 -2.58 -0.07 0.00 0.10 0.00 0.00 66.02 63.44 3kwf s SER 101 CO 0.00 -0.54 0.98 -0.63 0.98 0.00 0.00 173.24 174.03 3kwf s ILE 102 N 1.23 4.32 -0.03 -1.02 1.09 -1.26 -4.53 121.20 120.99 3kwf s ILE 102 Ca 0.60 1.99 -0.02 0.00 -1.10 0.00 0.00 60.65 62.13 3kwf s ILE 102 Cb -0.31 -4.27 -0.27 0.00 -1.06 0.00 0.00 42.46 36.55 3kwf s ILE 102 CO 0.29 0.34 0.71 -1.13 -0.10 0.00 0.00 174.94 175.05 3kwf h ASN 103 N 5.28 0.34 -5.10 3.58 -0.73 0.17 -3.48 115.58 115.65 3kwf h ASN 103 Ca -0.43 -0.56 0.15 0.00 1.87 0.00 0.00 56.30 57.32 3kwf h ASN 103 Cb 1.21 -0.11 -0.10 0.00 0.27 0.00 0.00 38.32 39.58 3kwf h ASN 103 CO 0.71 1.48 0.48 -0.62 -0.37 0.00 0.00 177.43 179.12 3kwf s ASP 104 N -6.87 -0.25 0.10 1.15 -1.08 -1.11 -5.00 116.67 103.61 3kwf s ASP 104 Ca -0.11 -0.26 0.05 0.00 -0.52 0.00 0.00 52.55 51.71 3kwf s ASP 104 Cb 0.07 0.46 -0.03 0.00 -1.46 0.00 0.00 42.92 41.95 3kwf s ASP 104 CO 0.83 -0.81 -0.14 -0.72 0.52 0.00 0.00 175.17 174.85 3kwf s TYR 105 N -3.24 1.31 -0.08 -5.34 -0.85 -1.26 -0.44 117.35 107.45 3kwf s TYR 105 Ca 0.10 -0.54 -0.03 0.00 -0.52 0.00 0.00 57.07 56.08 3kwf s TYR 105 Cb -0.01 -0.71 0.04 0.00 0.38 0.00 0.00 41.96 41.66 3kwf s TYR 105 CO -0.02 0.10 0.08 0.45 -1.52 0.00 0.00 175.55 174.64 3kwf s SER 106 N -2.22 1.39 0.01 -0.18 0.15 0.11 -4.95 113.70 108.01 3kwf s SER 106 Ca 0.05 -0.07 -0.22 0.00 0.70 0.00 0.00 55.95 56.41 3kwf s SER 106 Cb -0.06 -0.13 -0.05 0.00 -1.71 0.00 0.00 66.02 64.07 3kwf s SER 106 CO 0.02 -0.27 0.67 -0.63 1.20 0.00 0.00 173.24 174.23 3kwf s ILE 107 N 2.17 4.85 0.52 6.45 -1.09 -1.26 0.88 121.20 133.73 3kwf s ILE 107 Ca 0.04 1.40 -0.22 0.00 -2.23 0.00 0.00 60.65 59.64 3kwf s ILE 107 Cb -0.13 -4.01 -0.06 0.00 -1.58 0.00 0.00 42.46 36.69 3kwf s ILE 107 CO -0.05 0.39 1.35 -0.94 -1.23 0.00 0.00 174.94 174.46 3kwf s SER 108 N -0.06 5.44 0.17 3.58 1.04 -0.40 -4.90 113.70 118.57 3kwf s SER 108 Ca 0.34 2.74 0.10 0.00 0.48 0.00 0.00 55.95 59.61 3kwf s SER 108 Cb -0.19 -2.64 0.53 0.00 0.10 0.00 0.00 66.02 63.82 3kwf s SER 108 CO 0.19 -1.45 1.23 -2.65 0.98 0.00 0.00 173.24 171.54 3kwf n PRO 109 N -0.86 0.06 0.00 4.02 -0.02 -1.17 -1.04 135.00 135.99 3kwf n PRO 109 Ca 0.09 0.52 0.11 0.00 -2.02 0.00 0.00 63.50 62.21 3kwf n PRO 109 Cb 0.45 -1.81 0.03 0.00 -0.02 0.00 0.00 33.50 32.14 3kwf n PRO 109 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3kwf n ASP 110 N -1.82 2.26 0.00 2.55 5.68 -1.00 -4.66 116.55 119.56 3kwf n ASP 110 Ca -0.01 -1.63 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 3kwf n ASP 110 Cb 0.12 0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 3kwf n ASP 110 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kwf n GLY 111 N 1.40 0.89 0.12 6.12 0.00 -0.21 -4.90 105.19 108.62 3kwf n GLY 111 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3kwf n GLY 111 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3kwf h GLN 112 N 2.66 0.00 -4.15 1.61 4.20 -1.93 -3.45 115.11 114.05 3kwf h GLN 112 Ca 0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 3kwf h GLN 112 Cb 0.00 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 27.60 3kwf h GLN 112 CO 0.00 0.62 -0.69 -0.06 -0.67 0.00 0.00 178.83 178.03 3kwf s PHE 113 N -2.97 0.42 -0.05 2.96 0.08 -1.26 -0.93 117.98 116.23 3kwf s PHE 113 Ca 0.03 -0.78 0.02 0.00 0.12 0.00 0.00 56.93 56.32 3kwf s PHE 113 Cb 0.09 -0.30 0.01 0.00 -0.57 0.00 0.00 43.02 42.25 3kwf s PHE 113 CO 0.76 -0.27 -0.11 -1.50 -0.10 0.00 0.00 175.22 174.00 3kwf s ILE 114 N -2.63 0.99 -0.09 0.64 2.07 -0.53 -1.27 121.20 120.37 3kwf s ILE 114 Ca -0.04 -0.42 -0.25 0.00 -1.41 0.00 0.00 60.65 58.53 3kwf s ILE 114 Cb -0.01 -0.91 -0.03 0.00 0.13 0.00 0.00 42.46 41.64 3kwf s ILE 114 CO -0.05 0.32 0.78 -0.76 -1.91 0.00 0.00 174.94 173.31 3kwf s LEU 115 N 0.56 4.28 -0.28 8.50 1.43 0.25 -1.37 118.68 132.05 3kwf s LEU 115 Ca -0.11 1.24 -0.05 0.00 -1.03 0.00 0.00 54.13 54.17 3kwf s LEU 115 Cb -0.14 -3.19 0.01 0.00 0.03 0.00 0.00 46.19 42.90 3kwf s LEU 115 CO 0.02 -0.23 0.04 -0.76 0.23 0.00 0.00 176.35 175.66 3kwf s LEU 116 N 1.27 3.62 -0.22 1.79 1.43 -0.08 -0.71 118.68 125.78 3kwf s LEU 116 Ca 0.39 -0.70 -0.13 0.00 -1.03 0.00 0.00 54.13 52.67 3kwf s LEU 116 Cb -0.18 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 3kwf s LEU 116 CO 0.18 -0.16 0.25 -0.70 0.23 0.00 0.00 176.35 176.15 3kwf s GLU 117 N 1.46 4.13 0.21 1.70 2.12 0.41 -2.43 118.70 126.30 3kwf s GLU 117 Ca 0.02 -0.07 0.02 0.00 0.36 0.00 0.00 54.97 55.30 3kwf s GLU 117 Cb -0.17 -3.52 -0.01 0.00 0.26 0.00 0.00 34.13 30.69 3kwf s GLU 117 CO 0.01 0.06 0.22 2.48 -0.54 0.00 0.00 175.26 177.49 3kwf n TYR 118 N 4.23 -0.73 -3.12 5.30 4.11 -0.65 0.19 117.16 126.50 3kwf n TYR 118 Ca -0.12 -1.57 -0.20 0.00 -0.00 0.00 0.00 57.90 56.00 3kwf n TYR 118 Cb 0.52 0.24 -0.00 0.00 -0.00 0.00 0.00 39.34 40.10 3kwf n TYR 118 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 3kwf n ASN 119 N -2.05 -3.94 -4.68 9.48 3.02 -1.26 -0.58 115.26 115.26 3kwf n ASN 119 Ca 0.03 -0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 53.92 3kwf n ASN 119 Cb 0.36 -3.27 -0.03 0.00 -0.61 0.00 0.00 39.78 36.23 3kwf n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3kwf s TYR 120 N -2.87 1.92 -0.13 3.10 6.14 -1.26 -4.28 117.35 119.97 3kwf s TYR 120 Ca 0.30 -0.08 0.00 0.00 0.64 0.00 0.00 57.07 57.93 3kwf s TYR 120 Cb -0.15 -4.14 0.02 0.00 0.42 0.00 0.00 41.96 38.10 3kwf s TYR 120 CO 0.37 -4.83 -0.12 0.08 0.64 0.00 0.00 175.55 171.68 3kwf s VAL 121 N 3.33 1.37 0.08 3.14 1.01 0.27 -5.01 120.40 124.59 3kwf s VAL 121 Ca 0.81 -0.52 -0.31 0.00 0.00 0.00 0.00 61.98 61.97 3kwf s VAL 121 Cb -0.43 -1.30 -0.07 0.00 0.00 0.00 0.00 36.38 34.58 3kwf s VAL 121 CO 0.37 0.42 1.29 -0.75 0.00 0.00 0.00 175.10 176.43 3kwf s LYS 122 N 1.46 4.38 0.00 2.72 2.20 -1.26 -1.24 119.74 127.99 3kwf s LYS 122 Ca 0.03 1.91 0.00 0.00 -0.36 0.00 0.00 55.97 57.55 3kwf s LYS 122 Cb -0.13 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 3kwf s LYS 122 CO -0.08 -0.35 0.00 0.94 -0.36 0.00 0.00 175.35 175.50 3kwf n GLN 123 N 4.00 0.00 0.00 4.03 7.27 -0.62 -4.93 117.38 127.13 3kwf n GLN 123 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.17 3kwf n GLN 123 Cb 0.44 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.09 3kwf n GLN 123 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 3kwf n TRP 124 N 0.00 0.00 -0.18 3.69 5.03 -1.20 -4.95 117.44 119.84 3kwf n TRP 124 Ca 0.00 0.00 -0.04 0.00 3.03 0.00 0.00 57.50 60.49 3kwf n TRP 124 Cb 0.00 0.00 0.05 0.00 -1.03 0.00 0.00 31.31 30.33 3kwf n TRP 124 CO 0.00 0.00 0.00 -0.09 -0.03 0.00 0.00 177.69 177.57 3kwf h ARG 125 N 0.00 0.55 0.00 -0.99 2.43 -1.99 -3.34 114.38 111.04 3kwf h ARG 125 Ca 0.00 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.01 3kwf h ARG 125 Cb 0.00 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3kwf h ARG 125 CO 0.00 0.37 -1.46 0.72 -1.51 0.00 0.00 179.97 178.08 3kwf n HIS 126 N -4.84 0.00 -2.10 2.20 8.25 -1.26 -5.06 115.22 112.42 3kwf n HIS 126 Ca 0.05 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.18 3kwf n HIS 126 Cb 0.12 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 30.90 3kwf n HIS 126 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3kwf s SER 127 N -3.89 5.89 -0.03 0.41 1.04 -1.26 -4.61 113.70 111.25 3kwf s SER 127 Ca -0.04 1.80 -0.30 0.00 0.48 0.00 0.00 55.95 57.89 3kwf s SER 127 Cb 0.02 -2.53 0.11 0.00 0.10 0.00 0.00 66.02 63.72 3kwf s SER 127 CO 0.27 -1.09 1.07 -0.72 0.98 0.00 0.00 173.24 173.74 3kwf s TYR 128 N -2.45 -0.19 0.19 5.02 -0.85 -1.26 -1.59 117.35 116.22 3kwf s TYR 128 Ca 0.63 0.05 0.10 0.00 -0.52 0.00 0.00 57.07 57.33 3kwf s TYR 128 Cb -0.15 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 3kwf s TYR 128 CO 0.36 -0.45 -0.12 0.95 -1.52 0.00 0.00 175.55 174.76 3kwf s THR 129 N -2.83 3.02 0.26 -3.49 -4.23 -0.37 -4.59 115.64 103.40 3kwf s THR 129 Ca 0.09 -1.78 -0.21 0.00 -1.18 0.00 0.00 61.69 58.62 3kwf s THR 129 Cb -0.00 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.36 3kwf s THR 129 CO -0.05 -0.14 0.69 0.00 -0.54 0.00 0.00 174.62 174.58 3kwf s ALA 130 N -1.77 -1.19 0.15 3.99 0.00 -0.76 -0.57 121.76 121.61 3kwf s ALA 130 Ca 0.25 -0.26 0.06 0.00 0.00 0.00 0.00 51.96 52.01 3kwf s ALA 130 Cb -0.08 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 3kwf s ALA 130 CO 0.14 -0.99 0.05 -1.12 0.00 0.00 0.00 175.76 173.84 3kwf s SER 131 N -2.91 5.12 -0.02 0.00 0.01 0.25 -1.42 113.70 114.74 3kwf s SER 131 Ca 0.11 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.13 3kwf s SER 131 Cb -0.05 -1.22 0.02 0.00 0.21 0.00 0.00 66.02 64.98 3kwf s SER 131 CO 0.05 0.10 0.01 -0.31 0.41 0.00 0.00 173.24 173.50 3kwf s TYR 132 N -1.64 0.12 0.17 2.43 2.02 -1.26 -1.63 117.35 117.56 3kwf s TYR 132 Ca 0.28 0.06 0.09 0.00 -0.37 0.00 0.00 57.07 57.14 3kwf s TYR 132 Cb -0.10 -0.25 -0.04 0.00 -0.40 0.00 0.00 41.96 41.16 3kwf s TYR 132 CO 0.20 -0.08 -0.10 -0.51 -1.57 0.00 0.00 175.55 173.49 3kwf s ASP 133 N 0.84 4.22 0.03 2.29 1.01 -1.02 -4.31 116.67 119.74 3kwf s ASP 133 Ca -0.08 -0.57 0.04 0.00 0.71 0.00 0.00 52.55 52.65 3kwf s ASP 133 Cb -0.11 -0.70 -0.04 0.00 1.01 0.00 0.00 42.92 43.08 3kwf s ASP 133 CO -0.02 0.11 -0.06 -0.63 0.21 0.00 0.00 175.17 174.78 3kwf s ILE 134 N -1.64 3.65 -0.13 0.77 1.01 -1.26 -0.90 121.20 122.70 3kwf s ILE 134 Ca 0.24 -0.89 -0.00 0.00 0.00 0.00 0.00 60.65 60.00 3kwf s ILE 134 Cb -0.09 -2.63 0.03 0.00 0.01 0.00 0.00 42.46 39.78 3kwf s ILE 134 CO 0.15 0.30 -0.09 -0.47 0.00 0.00 0.00 174.94 174.83 3kwf s TYR 135 N -1.08 1.70 -0.13 3.97 5.04 -0.48 -1.96 117.35 124.41 3kwf s TYR 135 Ca 0.19 -0.93 -0.29 0.00 -2.44 0.00 0.00 57.07 53.60 3kwf s TYR 135 Cb -0.11 -1.34 -0.03 0.00 0.35 0.00 0.00 41.96 40.83 3kwf s TYR 135 CO 0.10 -0.57 1.41 0.34 -1.34 0.00 0.00 175.55 175.49 3kwf s ASP 136 N 1.64 6.83 0.03 4.32 -1.08 -0.36 -1.45 116.67 126.60 3kwf s ASP 136 Ca 0.04 1.88 -0.08 0.00 -0.52 0.00 0.00 52.55 53.86 3kwf s ASP 136 Cb -0.13 -2.54 -0.31 0.00 -1.46 0.00 0.00 42.92 38.48 3kwf s ASP 136 CO -0.09 -0.84 0.98 -0.07 0.52 0.00 0.00 175.17 175.68 3kwf h LEU 137 N 9.97 0.58 -0.38 -1.34 3.38 -1.34 -3.10 115.31 123.09 3kwf h LEU 137 Ca -0.31 -0.67 0.04 0.00 0.09 0.00 0.00 57.88 57.03 3kwf h LEU 137 Cb 1.13 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 3kwf h LEU 137 CO 0.97 1.54 0.14 0.78 0.09 0.00 0.00 178.44 181.95 3kwf h ASN 138 N 0.10 0.16 0.00 -0.43 4.21 -1.87 -3.40 115.58 114.35 3kwf h ASN 138 Ca -0.22 0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.33 3kwf h ASN 138 Cb 2.06 0.02 0.00 0.00 -1.12 0.00 0.00 38.32 39.28 3kwf h ASN 138 CO 0.22 0.13 0.00 0.29 -1.29 0.00 0.00 177.43 176.77 3kwf n LYS 139 N -5.00 3.69 -2.70 0.81 5.02 -1.25 -5.05 118.16 113.68 3kwf n LYS 139 Ca 0.02 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.25 3kwf n LYS 139 Cb 0.13 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.23 3kwf n LYS 139 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kwf n ARG 140 N 0.00 1.28 -4.21 1.97 1.74 -1.23 -4.99 116.66 111.21 3kwf n ARG 140 Ca 0.00 -2.23 -0.16 0.00 -0.77 0.00 0.00 57.85 54.68 3kwf n ARG 140 Cb 0.00 -0.41 -0.13 0.00 -1.02 0.00 0.00 32.46 30.89 3kwf n ARG 140 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3kwf s GLN 141 N -1.06 0.63 0.22 5.56 -0.21 -1.17 -5.02 119.66 118.61 3kwf s GLN 141 Ca 0.21 -0.51 -0.30 0.00 0.02 0.00 0.00 55.36 54.79 3kwf s GLN 141 Cb 0.42 -0.55 -0.09 0.00 1.00 0.00 0.00 33.01 33.79 3kwf s GLN 141 CO -0.06 0.14 1.11 -0.51 -2.12 0.00 0.00 175.29 173.84 3kwf s LEU 142 N -0.79 4.52 -0.09 2.90 1.43 -1.26 -1.23 118.68 124.16 3kwf s LEU 142 Ca -0.01 2.18 -0.29 0.00 -1.03 0.00 0.00 54.13 54.97 3kwf s LEU 142 Cb -0.06 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 3kwf s LEU 142 CO 0.00 -0.19 1.00 -0.63 0.23 0.00 0.00 176.35 176.76 3kwf s ILE 143 N -0.65 4.80 -0.30 -0.59 1.01 -0.83 -4.93 121.20 119.72 3kwf s ILE 143 Ca 0.47 2.03 0.11 0.00 0.00 0.00 0.00 60.65 63.26 3kwf s ILE 143 Cb -0.31 -4.31 -0.14 0.00 0.01 0.00 0.00 42.46 37.72 3kwf s ILE 143 CO 0.38 0.03 0.36 0.35 0.00 0.00 0.00 174.94 176.06 3kwf n THR 144 N 4.44 0.00 -4.32 2.92 -2.24 -1.26 -4.64 114.28 109.18 3kwf n THR 144 Ca 0.08 -0.25 -0.33 0.00 -2.27 0.00 0.00 64.05 61.28 3kwf n THR 144 Cb 0.49 0.69 -0.09 0.00 -2.10 0.00 0.00 70.33 69.32 3kwf n THR 144 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3kwf s GLU 145 N -2.31 2.77 -1.23 -0.78 2.02 -1.26 -4.57 118.70 113.34 3kwf s GLU 145 Ca 0.01 -0.61 -0.00 0.00 0.02 0.00 0.00 54.97 54.38 3kwf s GLU 145 Cb 0.08 -2.66 -0.00 0.00 0.10 0.00 0.00 34.13 31.65 3kwf s GLU 145 CO 0.44 0.63 0.90 0.39 0.02 0.00 0.00 175.26 177.65 3kwf n GLU 146 N 1.48 -6.00 -1.73 1.61 -0.58 -1.26 -4.68 120.64 109.48 3kwf n GLU 146 Ca -0.15 0.78 -0.33 0.00 -0.42 0.00 0.00 57.16 57.03 3kwf n GLU 146 Cb 0.53 -5.65 0.05 0.00 -0.57 0.00 0.00 31.44 25.80 3kwf n GLU 146 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3kwf s ARG 147 N -5.53 2.70 0.16 3.49 0.52 -1.26 -4.84 118.95 114.19 3kwf s ARG 147 Ca 0.01 1.49 -0.31 0.00 -0.52 0.00 0.00 55.73 56.40 3kwf s ARG 147 Cb -0.00 -1.93 -0.09 0.00 0.52 0.00 0.00 34.95 33.45 3kwf s ARG 147 CO 0.76 -1.35 1.43 0.42 0.02 0.00 0.00 175.30 176.58 3kwf s ILE 148 N -2.21 3.01 0.71 1.52 1.01 -1.26 -4.98 121.20 118.99 3kwf s ILE 148 Ca 0.69 0.76 -0.13 0.00 0.00 0.00 0.00 60.65 61.97 3kwf s ILE 148 Cb -0.23 -3.48 0.03 0.00 0.01 0.00 0.00 42.46 38.78 3kwf s ILE 148 CO 0.41 0.08 1.10 -2.16 0.00 0.00 0.00 174.94 174.36 3kwf s PRO 149 N 0.69 2.58 0.86 2.79 0.04 -1.26 -4.54 135.00 136.15 3kwf s PRO 149 Ca 0.64 1.26 -0.12 0.00 0.04 0.00 0.00 61.00 62.82 3kwf s PRO 149 Cb -0.39 -1.93 0.10 0.00 0.04 0.00 0.00 34.50 32.32 3kwf s PRO 149 CO 0.34 -1.41 1.12 0.09 0.04 0.00 0.00 177.00 177.18 3kwf n ASN 150 N -2.95 0.54 -3.29 6.66 3.02 -1.26 -3.44 115.26 114.54 3kwf n ASN 150 Ca 0.10 0.51 -0.23 0.00 -0.03 0.00 0.00 54.58 54.92 3kwf n ASN 150 Cb 0.53 -1.47 0.05 0.00 -0.61 0.00 0.00 39.78 38.27 3kwf n ASN 150 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kwf n ASN 151 N -3.50 -6.14 -4.72 6.41 3.02 -1.16 -4.96 115.26 104.22 3kwf n ASN 151 Ca 0.13 -0.41 -0.42 0.00 -0.03 0.00 0.00 54.58 53.85 3kwf n ASN 151 Cb 0.51 -4.90 -0.03 0.00 -0.61 0.00 0.00 39.78 34.75 3kwf n ASN 151 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kwf s THR 152 N -3.24 3.99 -0.04 3.41 2.01 -0.51 -4.55 115.64 116.72 3kwf s THR 152 Ca 0.43 1.54 0.00 0.00 0.31 0.00 0.00 61.69 63.97 3kwf s THR 152 Cb -0.19 -3.98 -0.26 0.00 0.01 0.00 0.00 72.50 68.07 3kwf s THR 152 CO 0.54 0.18 0.68 1.56 -0.69 0.00 0.00 174.62 176.89 3kwf h GLN 153 N 6.11 0.18 -2.51 4.92 4.20 -1.22 -2.02 115.11 124.78 3kwf h GLN 153 Ca -0.43 -0.32 -0.09 0.00 0.06 0.00 0.00 58.65 57.87 3kwf h GLN 153 Cb 1.21 0.12 -0.22 0.00 0.30 0.00 0.00 27.48 28.89 3kwf h GLN 153 CO 0.77 0.98 -0.09 -0.46 -0.67 0.00 0.00 178.83 179.36 3kwf s TRP 154 N -2.60 -0.51 -0.00 2.96 -0.11 -1.20 -4.62 118.94 112.86 3kwf s TRP 154 Ca -0.11 1.15 0.01 0.00 1.22 0.00 0.00 56.10 58.37 3kwf s TRP 154 Cb 0.07 0.21 -0.00 0.00 -1.50 0.00 0.00 33.47 32.25 3kwf s TRP 154 CO 0.82 -0.34 -0.04 0.08 -4.62 0.00 0.00 176.95 172.84 3kwf s VAL 155 N -0.23 0.35 -0.10 5.86 1.01 -1.26 -1.17 120.40 124.87 3kwf s VAL 155 Ca -0.04 -0.20 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 3kwf s VAL 155 Cb -0.03 -0.30 0.04 0.00 0.00 0.00 0.00 36.38 36.08 3kwf s VAL 155 CO 0.03 0.09 0.24 0.28 0.00 0.00 0.00 175.10 175.74 3kwf s THR 156 N -0.12 -0.03 0.46 3.92 -1.32 -0.39 -5.02 115.64 113.14 3kwf s THR 156 Ca 0.02 0.10 -0.21 0.00 -1.21 0.00 0.00 61.69 60.38 3kwf s THR 156 Cb -0.02 -0.36 -0.09 0.00 -1.51 0.00 0.00 72.50 70.52 3kwf s THR 156 CO -0.00 0.04 1.03 0.26 -2.21 0.00 0.00 174.62 173.74 3kwf s TRP 157 N 0.85 3.09 0.86 9.09 0.52 -1.26 -1.02 118.94 131.07 3kwf s TRP 157 Ca -0.06 1.60 -0.12 0.00 0.02 0.00 0.00 56.10 57.53 3kwf s TRP 157 Cb -0.07 -3.06 0.08 0.00 -1.15 0.00 0.00 33.47 29.27 3kwf s TRP 157 CO -0.05 -0.71 0.97 -1.13 0.02 0.00 0.00 176.95 176.05 3kwf n SER 158 N -0.73 0.00 0.25 2.95 3.41 0.56 -4.91 113.62 115.16 3kwf n SER 158 Ca 0.08 0.49 0.14 0.00 -0.26 0.00 0.00 58.87 59.32 3kwf n SER 158 Cb 0.52 -1.41 0.57 0.00 -0.26 0.00 0.00 64.21 63.63 3kwf n SER 158 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3kwf h PRO 159 N -1.29 0.00 -5.96 4.33 0.11 -1.87 -3.42 132.00 123.90 3kwf h PRO 159 Ca -0.45 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.10 3kwf h PRO 159 Cb 1.29 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.14 3kwf h PRO 159 CO 0.42 0.09 -0.83 0.08 -0.21 0.00 0.00 178.00 177.54 3kwf s VAL 160 N -3.64 1.58 0.00 3.15 1.01 -1.26 -4.78 120.40 116.45 3kwf s VAL 160 Ca 0.01 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.84 3kwf s VAL 160 Cb 0.09 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 35.10 3kwf s VAL 160 CO 0.59 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.48 3kwf n GLY 161 N 1.88 0.62 1.07 4.51 0.00 -1.26 -4.48 105.19 107.53 3kwf n GLY 161 Ca -0.17 -0.72 -0.03 0.00 0.00 0.00 0.00 46.02 45.10 3kwf n GLY 161 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3kwf n HIS 162 N 12.21 0.00 -2.10 1.61 1.44 -1.26 -2.37 115.22 124.75 3kwf n HIS 162 Ca 0.00 -0.42 -0.38 0.00 -2.01 0.00 0.00 57.72 54.90 3kwf n HIS 162 Cb 0.00 0.26 0.00 0.00 0.12 0.00 0.00 29.99 30.37 3kwf n HIS 162 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3kwf s LYS 163 N 0.00 3.74 -0.03 -1.40 1.02 -1.26 -4.58 119.74 117.23 3kwf s LYS 163 Ca 0.10 2.00 0.05 0.00 0.02 0.00 0.00 55.97 58.13 3kwf s LYS 163 Cb 0.11 -2.53 -0.03 0.00 -0.52 0.00 0.00 37.83 34.87 3kwf s LYS 163 CO -0.05 -0.63 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.08 3kwf s LEU 164 N -2.86 2.66 -0.06 3.17 1.43 -0.44 -0.32 118.68 122.26 3kwf s LEU 164 Ca 0.62 -0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.51 3kwf s LEU 164 Cb -0.34 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 3kwf s LEU 164 CO 0.42 0.33 -0.21 0.00 0.23 0.00 0.00 176.35 177.12 3kwf s ALA 165 N -0.76 1.89 0.06 4.21 0.00 -0.19 -1.10 121.76 125.87 3kwf s ALA 165 Ca 0.12 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.21 3kwf s ALA 165 Cb -0.11 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 3kwf s ALA 165 CO 0.01 0.33 -0.05 1.52 0.00 0.00 0.00 175.76 177.58 3kwf s TYR 166 N 0.02 0.66 -0.14 0.00 -0.85 -0.66 -1.26 117.35 115.12 3kwf s TYR 166 Ca -0.06 -0.82 0.01 0.00 -0.52 0.00 0.00 57.07 55.68 3kwf s TYR 166 Cb -0.14 -0.41 -0.00 0.00 0.38 0.00 0.00 41.96 41.79 3kwf s TYR 166 CO 0.04 -0.20 -0.16 0.08 -1.52 0.00 0.00 175.55 173.79 3kwf s VAL 167 N -2.94 2.68 -0.01 -3.49 1.01 -0.31 -0.74 120.40 116.59 3kwf s VAL 167 Ca 0.02 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.23 3kwf s VAL 167 Cb 0.01 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.28 3kwf s VAL 167 CO -0.05 0.52 -0.01 0.86 0.00 0.00 0.00 175.10 176.43 3kwf s TRP 168 N 0.64 0.21 -1.69 5.22 -0.00 -0.07 -0.80 118.94 122.45 3kwf s TRP 168 Ca -0.08 -0.00 -0.13 0.00 -0.00 0.00 0.00 56.10 55.88 3kwf s TRP 168 Cb -0.16 -0.23 0.12 0.00 -0.00 0.00 0.00 33.47 33.20 3kwf s TRP 168 CO 0.02 -0.05 0.45 0.09 -0.00 0.00 0.00 176.95 177.46 3kwf n ASN 169 N 3.53 -1.20 -0.71 5.86 5.03 -1.26 -0.74 115.26 125.76 3kwf n ASN 169 Ca -0.19 -1.17 -0.09 0.00 0.87 0.00 0.00 54.58 54.00 3kwf n ASN 169 Cb 0.55 -2.08 -0.04 0.00 -1.02 0.00 0.00 39.78 37.20 3kwf n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3kwf n ASN 170 N -2.70 -4.99 -4.43 6.41 4.13 -1.26 -4.40 115.26 108.02 3kwf n ASN 170 Ca -0.07 0.23 -0.30 0.00 1.68 0.00 0.00 54.58 56.11 3kwf n ASN 170 Cb 0.56 -3.30 -0.13 0.00 -1.54 0.00 0.00 39.78 35.37 3kwf n ASN 170 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3kwf s ASP 171 N -2.51 3.62 -0.03 6.41 1.01 0.08 -2.76 116.67 122.49 3kwf s ASP 171 Ca 0.00 -0.52 -0.18 0.00 0.71 0.00 0.00 52.55 52.56 3kwf s ASP 171 Cb 0.00 -0.48 -0.05 0.00 1.01 0.00 0.00 42.92 43.39 3kwf s ASP 171 CO 0.00 0.23 0.49 -0.63 0.21 0.00 0.00 175.17 175.47 3kwf s ILE 172 N -0.95 5.01 0.15 0.77 1.01 -1.26 -0.90 121.20 125.03 3kwf s ILE 172 Ca 0.14 1.01 0.08 0.00 0.00 0.00 0.00 60.65 61.88 3kwf s ILE 172 Cb -0.10 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 3kwf s ILE 172 CO 0.05 0.46 -0.17 -0.31 0.00 0.00 0.00 174.94 174.98 3kwf s TYR 173 N -0.35 1.68 -0.03 3.97 1.51 0.08 -0.42 117.35 123.78 3kwf s TYR 173 Ca 0.27 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.85 3kwf s TYR 173 Cb -0.17 -0.85 0.01 0.00 -0.11 0.00 0.00 41.96 40.84 3kwf s TYR 173 CO 0.14 0.27 -0.07 0.08 -1.11 0.00 0.00 175.55 174.85 3kwf s VAL 174 N -2.07 0.68 -0.15 0.71 1.01 -0.18 -1.65 120.40 118.75 3kwf s VAL 174 Ca 0.13 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 3kwf s VAL 174 Cb -0.05 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 3kwf s VAL 174 CO 0.05 0.23 -0.02 -0.54 0.00 0.00 0.00 175.10 174.82 3kwf s LYS 175 N 0.49 3.66 0.06 2.72 1.02 -0.26 0.31 119.74 127.74 3kwf s LYS 175 Ca -0.07 -0.49 -0.03 0.00 0.02 0.00 0.00 55.97 55.40 3kwf s LYS 175 Cb -0.11 -2.94 -0.28 0.00 -0.52 0.00 0.00 37.83 33.98 3kwf s LYS 175 CO 0.01 0.28 1.07 0.82 -0.92 0.00 0.00 175.35 176.61 3kwf h ILE 176 N 5.04 1.41 -3.94 2.17 1.08 -1.86 -1.16 117.51 120.25 3kwf h ILE 176 Ca -0.33 -3.01 -0.42 0.00 -0.39 0.00 0.00 64.86 60.71 3kwf h ILE 176 Cb 1.19 2.89 -0.30 0.00 -3.07 0.00 0.00 36.82 37.53 3kwf h ILE 176 CO 0.63 0.87 -0.79 -1.61 -0.69 0.00 0.00 178.15 176.57 3kwf s GLU 177 N -2.65 0.87 0.42 2.37 0.41 -1.26 -4.26 118.70 114.60 3kwf s GLU 177 Ca -0.05 -0.33 0.18 0.00 -0.41 0.00 0.00 54.97 54.36 3kwf s GLU 177 Cb 0.07 -0.83 1.09 0.00 -1.78 0.00 0.00 34.13 32.68 3kwf s GLU 177 CO 0.87 0.16 1.85 -1.35 -0.49 0.00 0.00 175.26 176.30 3kwf h PRO 178 N 6.14 0.39 -0.00 0.39 0.11 -1.88 -1.73 132.00 135.43 3kwf h PRO 178 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3kwf h PRO 178 Cb 1.17 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3kwf h PRO 178 CO 0.49 0.26 -0.25 0.27 -0.21 0.00 0.00 178.00 178.56 3kwf n ASN 179 N -4.52 0.28 -4.94 -2.05 6.94 -1.26 -4.87 115.26 104.84 3kwf n ASN 179 Ca 0.20 0.06 -0.24 0.00 -0.02 0.00 0.00 54.58 54.57 3kwf n ASN 179 Cb 0.72 -0.10 -0.02 0.00 -2.36 0.00 0.00 39.78 38.01 3kwf n ASN 179 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3kwf s LEU 180 N -2.96 4.15 0.34 -4.53 1.02 -0.65 -4.56 118.68 111.48 3kwf s LEU 180 Ca 0.14 0.36 -0.29 0.00 0.02 0.00 0.00 54.13 54.36 3kwf s LEU 180 Cb 0.18 -3.18 -0.10 0.00 0.02 0.00 0.00 46.19 43.11 3kwf s LEU 180 CO 0.61 -0.17 1.35 -2.84 0.02 0.00 0.00 176.35 175.32 3kwf s PRO 181 N -3.92 4.30 0.47 1.29 0.02 -1.26 -4.83 135.00 131.07 3kwf s PRO 181 Ca 0.38 2.29 -0.20 0.00 0.02 0.00 0.00 61.00 63.50 3kwf s PRO 181 Cb -0.10 -3.05 -0.09 0.00 0.02 0.00 0.00 34.50 31.28 3kwf s PRO 181 CO 0.32 -0.27 0.99 -1.54 -0.33 0.00 0.00 177.00 176.17 3kwf s SER 182 N -0.38 6.65 -0.16 2.53 1.04 -1.26 -4.78 113.70 117.34 3kwf s SER 182 Ca 0.50 1.73 -0.15 0.00 0.48 0.00 0.00 55.95 58.52 3kwf s SER 182 Cb -0.41 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.12 3kwf s SER 182 CO 0.55 -0.56 0.32 -0.31 0.98 0.00 0.00 173.24 174.22 3kwf s TYR 183 N -2.24 3.46 -0.14 5.02 1.51 0.15 -4.87 117.35 120.24 3kwf s TYR 183 Ca 0.63 0.64 -0.29 0.00 -1.01 0.00 0.00 57.07 57.03 3kwf s TYR 183 Cb -0.11 -2.38 -0.01 0.00 -0.11 0.00 0.00 41.96 39.35 3kwf s TYR 183 CO 0.20 0.22 1.03 0.50 -1.11 0.00 0.00 175.55 176.38 3kwf s ARG 184 N 0.53 4.37 -0.22 -0.62 3.52 -1.26 -1.01 118.95 124.25 3kwf s ARG 184 Ca 0.18 1.40 -0.18 0.00 -0.13 0.00 0.00 55.73 57.00 3kwf s ARG 184 Cb -0.13 -3.58 -0.18 0.00 -1.56 0.00 0.00 34.95 29.50 3kwf s ARG 184 CO 0.05 -0.42 0.09 -0.89 -0.81 0.00 0.00 175.30 173.32 3kwf n ILE 185 N 4.80 1.56 -4.57 4.11 2.08 0.44 -4.42 119.36 123.36 3kwf n ILE 185 Ca 0.10 -0.19 -0.31 0.00 0.56 0.00 0.00 62.75 62.91 3kwf n ILE 185 Cb 0.48 -1.95 -0.12 0.00 -0.75 0.00 0.00 39.64 37.30 3kwf n ILE 185 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3kwf s THR 186 N -2.42 3.05 0.00 1.39 -4.23 -1.18 -4.75 115.64 107.50 3kwf s THR 186 Ca -0.31 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 3kwf s THR 186 Cb 0.08 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.61 3kwf s THR 186 CO 0.59 0.33 0.73 0.79 -0.54 0.00 0.00 174.62 176.52 3kwf n TRP 187 N 1.48 0.00 0.82 3.99 7.02 -1.26 -4.49 117.44 125.01 3kwf n TRP 187 Ca -0.16 -0.25 0.09 0.00 -1.02 0.00 0.00 57.50 56.16 3kwf n TRP 187 Cb 0.52 -0.03 -0.05 0.00 -2.42 0.00 0.00 31.31 29.34 3kwf n TRP 187 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 3kwf n THR 188 N -0.25 0.00 -1.62 -0.99 -2.24 -1.26 -5.01 114.28 102.90 3kwf n THR 188 Ca 0.00 -0.20 -0.47 0.00 -2.27 0.00 0.00 64.05 61.11 3kwf n THR 188 Cb 0.16 1.11 -0.04 0.00 -2.10 0.00 0.00 70.33 69.47 3kwf n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kwf n GLY 189 N 1.33 0.44 3.27 3.38 0.00 -1.26 -4.72 105.19 107.63 3kwf n GLY 189 Ca 0.06 0.54 -0.09 0.00 0.00 0.00 0.00 46.02 46.52 3kwf n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kwf s LYS 190 N -0.22 0.35 -0.13 1.61 2.20 -0.92 -4.90 119.74 117.73 3kwf s LYS 190 Ca 0.73 0.94 -0.38 0.00 -0.36 0.00 0.00 55.97 56.90 3kwf s LYS 190 Cb -0.77 0.19 -0.15 0.00 -1.51 0.00 0.00 37.83 35.59 3kwf s LYS 190 CO 0.50 -0.22 1.64 -1.91 -0.36 0.00 0.00 175.35 175.00 3kwf n GLU 191 N 4.96 1.35 -1.16 4.03 2.13 -1.26 -0.74 120.64 129.95 3kwf n GLU 191 Ca -0.14 0.49 -0.06 0.00 0.66 0.00 0.00 57.16 58.12 3kwf n GLU 191 Cb 0.52 -2.19 -0.02 0.00 0.27 0.00 0.00 31.44 30.01 3kwf n GLU 191 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3kwf n ASP 192 N 4.64 -4.84 0.12 4.31 8.00 -1.26 -4.78 116.55 122.74 3kwf n ASP 192 Ca 0.23 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.87 3kwf n ASP 192 Cb 0.18 -2.83 0.00 0.00 -0.02 0.00 0.00 41.12 38.45 3kwf n ASP 192 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3kwf n ILE 193 N -2.45 0.39 -4.77 0.53 5.41 0.08 -4.69 119.36 113.86 3kwf n ILE 193 Ca -0.06 0.13 -0.33 0.00 1.00 0.00 0.00 62.75 63.50 3kwf n ILE 193 Cb 0.38 -0.85 -0.15 0.00 -0.71 0.00 0.00 39.64 38.30 3kwf n ILE 193 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3kwf s ILE 194 N -2.00 2.59 -0.22 1.39 -1.09 -0.37 -0.37 121.20 121.13 3kwf s ILE 194 Ca 0.00 -0.81 0.01 0.00 -2.23 0.00 0.00 60.65 57.61 3kwf s ILE 194 Cb 0.00 -2.06 0.03 0.00 -1.58 0.00 0.00 42.46 38.85 3kwf s ILE 194 CO 0.00 0.53 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.79 3kwf s TYR 195 N 0.57 2.98 -0.32 3.97 1.51 0.45 -2.17 117.35 124.34 3kwf s TYR 195 Ca -0.10 -1.79 -0.06 0.00 -1.01 0.00 0.00 57.07 54.11 3kwf s TYR 195 Cb -0.16 -1.96 0.03 0.00 -0.11 0.00 0.00 41.96 39.76 3kwf s TYR 195 CO 0.04 -0.80 0.09 -0.80 -1.11 0.00 0.00 175.55 172.96 3kwf s ASN 196 N 1.25 5.19 0.00 2.29 0.01 -1.11 -0.17 114.94 122.40 3kwf s ASN 196 Ca 0.00 -0.95 0.00 0.00 -0.71 0.00 0.00 52.86 51.20 3kwf s ASN 196 Cb -0.16 -1.86 0.00 0.00 0.41 0.00 0.00 41.25 39.64 3kwf s ASN 196 CO -0.09 -0.26 0.00 0.61 -1.51 0.00 0.00 177.10 175.85 3kwf n GLY 197 N 4.83 0.66 3.18 0.66 0.00 -0.32 -4.39 105.19 109.80 3kwf n GLY 197 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 3kwf n GLY 197 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kwf s ILE 198 N -2.74 0.89 0.23 -0.61 -4.36 -1.26 -0.37 121.20 112.98 3kwf s ILE 198 Ca 0.00 -1.74 -0.08 0.00 -0.26 0.00 0.00 60.65 58.57 3kwf s ILE 198 Cb 0.00 -1.46 -0.07 0.00 1.25 0.00 0.00 42.46 42.18 3kwf s ILE 198 CO 0.00 -0.65 0.53 0.42 0.24 0.00 0.00 174.94 175.48 3kwf s THR 199 N -2.79 4.98 0.82 8.37 -4.23 0.68 -4.71 115.64 118.76 3kwf s THR 199 Ca 0.08 0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 60.82 3kwf s THR 199 Cb -0.01 -3.64 0.18 0.00 1.34 0.00 0.00 72.50 70.38 3kwf s THR 199 CO -0.01 -0.10 1.12 -0.90 -0.54 0.00 0.00 174.62 174.19 3kwf n ASP 200 N -0.23 0.36 0.02 3.99 5.75 -1.26 -4.75 116.55 120.43 3kwf n ASP 200 Ca -0.00 -1.57 -0.14 0.00 -0.01 0.00 0.00 54.79 53.07 3kwf n ASP 200 Cb 0.53 -0.83 -0.07 0.00 -1.03 0.00 0.00 41.12 39.71 3kwf n ASP 200 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3kwf h TRP 201 N -1.42 -1.33 -0.48 2.11 7.01 -2.00 -1.76 115.95 118.09 3kwf h TRP 201 Ca -0.36 0.05 -0.07 0.00 2.11 0.00 0.00 58.89 60.61 3kwf h TRP 201 Cb 1.07 0.59 -0.02 0.00 -2.10 0.00 0.00 29.16 28.70 3kwf h TRP 201 CO 0.00 -0.51 0.00 -0.39 -2.79 0.00 0.00 178.44 174.75 3kwf h VAL 202 N -0.56 1.24 -0.32 2.65 -1.51 -1.95 -1.57 116.25 114.23 3kwf h VAL 202 Ca 0.05 -0.99 -0.13 0.00 -1.23 0.00 0.00 66.70 64.40 3kwf h VAL 202 Cb 0.66 0.88 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 3kwf h VAL 202 CO -0.38 0.35 -0.33 1.88 -1.23 0.00 0.00 177.57 177.86 3kwf h TYR 203 N 0.73 0.83 0.06 5.19 -1.99 -1.91 0.39 116.97 120.28 3kwf h TYR 203 Ca 0.14 -0.22 -0.00 0.00 2.00 0.00 0.00 58.73 60.65 3kwf h TYR 203 Cb 0.45 -0.19 0.00 0.00 2.00 0.00 0.00 36.73 38.99 3kwf h TYR 203 CO 0.02 0.95 -0.03 1.49 -0.00 0.00 0.00 178.16 180.60 3kwf h GLU 204 N 0.60 -0.07 0.00 4.88 4.81 -1.13 0.19 114.58 123.86 3kwf h GLU 204 Ca 0.06 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3kwf h GLU 204 Cb 0.86 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.25 3kwf h GLU 204 CO 0.07 0.04 -0.01 1.49 -0.73 0.00 0.00 179.01 179.87 3kwf h GLU 205 N -0.17 0.01 0.00 1.92 4.57 -1.23 -2.39 114.58 117.29 3kwf h GLU 205 Ca -0.01 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.05 3kwf h GLU 205 Cb 0.15 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 3kwf h GLU 205 CO 0.01 0.82 -1.70 0.39 -1.18 0.00 0.00 179.01 177.36 3kwf n GLU 206 N -4.69 0.64 0.00 1.92 -0.58 0.14 -4.49 120.64 113.59 3kwf n GLU 206 Ca -0.09 0.02 -0.01 0.00 -0.42 0.00 0.00 57.16 56.65 3kwf n GLU 206 Cb 0.40 -1.66 -0.00 0.00 -0.57 0.00 0.00 31.44 29.61 3kwf n GLU 206 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3kwf n VAL 207 N -2.60 0.58 0.47 2.62 0.31 -0.90 -4.84 118.33 113.96 3kwf n VAL 207 Ca -0.10 0.23 0.12 0.00 -0.01 0.00 0.00 64.34 64.58 3kwf n VAL 207 Cb 0.74 -1.43 0.15 0.00 -0.91 0.00 0.00 33.84 32.39 3kwf n VAL 207 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3kwf h PHE 208 N -0.12 0.00 -6.72 3.52 0.04 -0.83 -3.48 116.94 109.35 3kwf h PHE 208 Ca 0.00 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.23 3kwf h PHE 208 Cb 0.12 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 38.11 3kwf h PHE 208 CO -0.05 0.00 -0.87 0.43 -0.60 0.00 0.00 178.31 177.21 3kwf n SER 209 N -2.28 -1.64 -3.56 2.17 7.64 -0.91 -4.95 113.62 110.09 3kwf n SER 209 Ca 0.03 -1.05 -0.15 0.00 1.01 0.00 0.00 58.87 58.71 3kwf n SER 209 Cb 0.46 -2.67 -0.06 0.00 -1.01 0.00 0.00 64.21 60.93 3kwf n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kwf s ALA 210 N -3.66 -1.82 0.14 -0.43 0.00 -1.15 -4.97 121.76 109.86 3kwf s ALA 210 Ca 0.39 1.55 -0.03 0.00 0.00 0.00 0.00 51.96 53.86 3kwf s ALA 210 Cb -0.21 -0.47 -0.08 0.00 0.00 0.00 0.00 23.12 22.35 3kwf s ALA 210 CO 0.93 -0.34 1.32 -0.92 0.00 0.00 0.00 175.76 176.75 3kwf h TYR 211 N 3.35 0.57 -3.32 0.00 3.20 -1.88 -3.38 116.97 115.50 3kwf h TYR 211 Ca -0.26 -0.31 -0.53 0.00 3.14 0.00 0.00 58.73 60.78 3kwf h TYR 211 Cb 1.15 -0.07 0.08 0.00 1.54 0.00 0.00 36.73 39.44 3kwf h TYR 211 CO 0.36 1.12 0.88 0.45 -1.64 0.00 0.00 178.16 179.33 3kwf s SER 212 N -7.06 6.39 -0.38 -2.11 0.15 -1.26 -0.23 113.70 109.20 3kwf s SER 212 Ca -0.05 2.93 0.12 0.00 0.70 0.00 0.00 55.95 59.64 3kwf s SER 212 Cb 0.09 -2.63 0.43 0.00 -1.71 0.00 0.00 66.02 62.20 3kwf s SER 212 CO 0.86 -0.90 1.00 0.00 1.20 0.00 0.00 173.24 175.40 3kwf n ALA 213 N 2.21 4.04 -2.84 5.45 0.00 0.50 -4.59 120.51 125.28 3kwf n ALA 213 Ca 0.08 -3.68 -0.24 0.00 0.00 0.00 0.00 53.44 49.59 3kwf n ALA 213 Cb 0.38 -0.77 -0.16 0.00 0.00 0.00 0.00 19.45 18.89 3kwf n ALA 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kwf s LEU 214 N -3.26 1.91 -0.31 0.00 1.43 -1.25 -2.47 118.68 114.74 3kwf s LEU 214 Ca 0.37 -0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 53.14 3kwf s LEU 214 Cb 0.42 -0.84 0.11 0.00 0.03 0.00 0.00 46.19 45.90 3kwf s LEU 214 CO -0.06 0.14 0.13 0.26 0.23 0.00 0.00 176.35 177.05 3kwf s TRP 215 N -0.02 0.73 0.41 0.29 0.51 -0.20 -5.00 118.94 115.65 3kwf s TRP 215 Ca -0.01 -1.20 -0.27 0.00 -2.12 0.00 0.00 56.10 52.50 3kwf s TRP 215 Cb -0.10 -1.11 -0.10 0.00 -0.81 0.00 0.00 33.47 31.35 3kwf s TRP 215 CO 0.01 -0.84 1.44 0.91 -0.51 0.00 0.00 176.95 177.96 3kwf n TRP 216 N 4.98 2.79 -1.39 -1.98 7.02 -1.26 -1.19 117.44 126.40 3kwf n TRP 216 Ca -0.03 0.45 -0.31 0.00 -1.02 0.00 0.00 57.50 56.60 3kwf n TRP 216 Cb 0.41 -2.49 0.08 0.00 -2.42 0.00 0.00 31.31 26.90 3kwf n TRP 216 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3kwf s SER 217 N -0.30 4.65 0.54 -0.99 1.04 -0.16 -4.91 113.70 113.57 3kwf s SER 217 Ca 0.57 1.65 0.36 0.00 0.48 0.00 0.00 55.95 59.00 3kwf s SER 217 Cb -0.47 -2.41 1.78 0.00 0.10 0.00 0.00 66.02 65.03 3kwf s SER 217 CO 0.61 -1.92 2.08 -0.65 0.98 0.00 0.00 173.24 174.34 3kwf h PRO 218 N -1.05 0.00 0.04 4.02 0.11 -1.90 0.22 132.00 133.44 3kwf h PRO 218 Ca -0.45 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.44 3kwf h PRO 218 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3kwf h PRO 218 CO 0.54 0.00 -1.00 -0.97 -0.21 0.00 0.00 178.00 176.36 3kwf h ASN 219 N 0.00 0.33 0.00 -2.05 -0.73 -1.91 -3.41 115.58 107.81 3kwf h ASN 219 Ca 0.00 -0.30 0.00 0.00 1.87 0.00 0.00 56.30 57.87 3kwf h ASN 219 Cb 0.18 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.66 3kwf h ASN 219 CO 0.00 1.15 0.00 0.61 -0.37 0.00 0.00 177.43 178.82 3kwf n GLY 220 N 1.11 0.80 0.19 1.57 0.00 0.07 -4.68 105.19 104.25 3kwf n GLY 220 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 3kwf n GLY 220 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kwf h THR 221 N 0.00 0.72 -2.80 2.61 2.02 -1.93 -3.44 112.91 110.10 3kwf h THR 221 Ca 0.00 -0.60 -0.65 0.00 0.77 0.00 0.00 66.41 65.93 3kwf h THR 221 Cb 0.00 1.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 3kwf h THR 221 CO 0.00 0.12 -0.50 -0.36 0.37 0.00 0.00 175.52 175.15 3kwf s PHE 222 N -4.67 3.54 -0.28 3.16 0.08 -1.26 0.94 117.98 119.49 3kwf s PHE 222 Ca -0.14 0.38 0.01 0.00 0.12 0.00 0.00 56.93 57.30 3kwf s PHE 222 Cb 0.02 -1.85 0.05 0.00 -0.57 0.00 0.00 43.02 40.68 3kwf s PHE 222 CO 0.55 0.66 -0.06 -1.17 -0.10 0.00 0.00 175.22 175.10 3kwf s LEU 223 N -1.73 3.63 0.35 -0.37 0.20 0.34 -0.99 118.68 120.12 3kwf s LEU 223 Ca 0.24 -1.33 -0.15 0.00 0.69 0.00 0.00 54.13 53.58 3kwf s LEU 223 Cb -0.12 -1.62 -0.09 0.00 -0.43 0.00 0.00 46.19 43.93 3kwf s LEU 223 CO 0.15 -0.22 0.77 0.00 -0.29 0.00 0.00 176.35 176.77 3kwf s ALA 224 N 1.17 3.29 -0.06 5.97 0.00 -0.33 -1.15 121.76 130.65 3kwf s ALA 224 Ca -0.07 0.04 -0.31 0.00 0.00 0.00 0.00 51.96 51.62 3kwf s ALA 224 Cb -0.20 -2.81 0.07 0.00 0.00 0.00 0.00 23.12 20.19 3kwf s ALA 224 CO -0.03 0.23 0.70 1.52 0.00 0.00 0.00 175.76 178.18 3kwf s TYR 225 N -2.10 -0.64 0.20 0.00 -0.85 0.50 -1.04 117.35 113.43 3kwf s TYR 225 Ca 0.55 1.10 -0.01 0.00 -0.52 0.00 0.00 57.07 58.19 3kwf s TYR 225 Cb -0.10 0.41 -0.04 0.00 0.38 0.00 0.00 41.96 42.61 3kwf s TYR 225 CO 0.20 -0.59 0.40 0.00 -1.52 0.00 0.00 175.55 174.03 3kwf s ALA 226 N -1.18 3.82 -0.08 9.51 0.00 -1.03 -1.11 121.76 131.70 3kwf s ALA 226 Ca -0.10 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.07 3kwf s ALA 226 Cb -0.00 -2.01 0.01 0.00 0.00 0.00 0.00 23.12 21.12 3kwf s ALA 226 CO 0.09 0.43 -0.13 -1.14 0.00 0.00 0.00 175.76 175.02 3kwf s GLN 227 N -3.31 1.81 0.00 0.00 0.74 0.68 -1.18 119.66 118.40 3kwf s GLN 227 Ca 0.39 -0.44 0.05 0.00 0.05 0.00 0.00 55.36 55.41 3kwf s GLN 227 Cb -0.11 -1.52 -0.03 0.00 1.10 0.00 0.00 33.01 32.45 3kwf s GLN 227 CO 0.29 -0.00 -0.14 -0.06 -0.55 0.00 0.00 175.29 174.83 3kwf s PHE 228 N 0.77 2.69 -0.25 1.67 0.08 0.76 -1.23 117.98 122.47 3kwf s PHE 228 Ca -0.12 -0.17 0.00 0.00 0.12 0.00 0.00 56.93 56.76 3kwf s PHE 228 Cb -0.16 -1.55 0.07 0.00 -0.57 0.00 0.00 43.02 40.81 3kwf s PHE 228 CO 0.02 0.26 -0.02 1.21 -0.10 0.00 0.00 175.22 176.60 3kwf s ASN 229 N -1.22 3.86 -0.10 1.36 3.84 -0.09 -0.41 114.94 122.17 3kwf s ASN 229 Ca 0.14 -1.29 0.18 0.00 0.21 0.00 0.00 52.86 52.10 3kwf s ASN 229 Cb -0.11 -1.12 0.67 0.00 -0.55 0.00 0.00 41.25 40.14 3kwf s ASN 229 CO 0.05 -0.28 1.58 0.47 -2.79 0.00 0.00 177.10 176.12 3kwf n ASP 230 N 4.69 4.50 -0.35 -4.21 9.92 0.50 -1.74 116.55 129.87 3kwf n ASP 230 Ca -0.09 -2.44 0.05 0.00 -0.53 0.00 0.00 54.79 51.78 3kwf n ASP 230 Cb 0.44 -0.54 0.13 0.00 -0.64 0.00 0.00 41.12 40.51 3kwf n ASP 230 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3kwf h THR 231 N 3.72 0.04 -0.31 -3.53 2.02 -1.84 -0.15 112.91 112.86 3kwf h THR 231 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3kwf h THR 231 Cb 1.37 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3kwf h THR 231 CO 0.20 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 175.47 3kwf n GLU 232 N -5.60 2.45 -2.35 6.66 1.02 -1.26 -4.95 120.64 116.60 3kwf n GLU 232 Ca 0.15 -2.17 -0.42 0.00 -0.02 0.00 0.00 57.16 54.70 3kwf n GLU 232 Cb 0.48 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 3kwf n GLU 232 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kwf s VAL 233 N -1.62 3.83 0.76 2.62 1.01 -0.07 -4.76 120.40 122.17 3kwf s VAL 233 Ca 0.36 1.31 -0.12 0.00 0.00 0.00 0.00 61.98 63.54 3kwf s VAL 233 Cb 0.22 -3.84 0.05 0.00 0.00 0.00 0.00 36.38 32.82 3kwf s VAL 233 CO 0.31 0.10 1.11 -2.84 0.00 0.00 0.00 175.10 173.78 3kwf s PRO 234 N 1.10 2.21 -0.17 2.72 0.02 -1.26 -4.73 135.00 134.88 3kwf s PRO 234 Ca 0.60 1.30 -0.08 0.00 0.02 0.00 0.00 61.00 62.84 3kwf s PRO 234 Cb -0.31 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.28 3kwf s PRO 234 CO 0.29 -1.70 0.11 -0.51 -0.33 0.00 0.00 177.00 174.86 3kwf s LEU 235 N -5.73 4.12 0.07 -5.54 1.43 -1.26 -1.15 118.68 110.62 3kwf s LEU 235 Ca 0.64 0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 53.68 3kwf s LEU 235 Cb -0.19 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 3kwf s LEU 235 CO 0.52 0.23 0.94 -0.51 0.23 0.00 0.00 176.35 177.77 3kwf s ILE 236 N 0.02 4.63 -0.08 -0.59 1.10 0.24 -4.84 121.20 121.68 3kwf s ILE 236 Ca 0.08 2.02 0.03 0.00 -0.51 0.00 0.00 60.65 62.27 3kwf s ILE 236 Cb -0.12 -4.30 0.01 0.00 0.15 0.00 0.00 42.46 38.21 3kwf s ILE 236 CO -0.00 0.28 -0.16 -1.61 -2.11 0.00 0.00 174.94 171.34 3kwf s GLU 237 N 0.27 2.21 0.09 3.50 2.02 -1.26 -0.40 118.70 125.13 3kwf s GLU 237 Ca 0.47 -0.58 -0.10 0.00 0.02 0.00 0.00 54.97 54.78 3kwf s GLU 237 Cb -0.22 -1.77 0.00 0.00 0.10 0.00 0.00 34.13 32.24 3kwf s GLU 237 CO 0.28 0.06 0.21 1.52 0.02 0.00 0.00 175.26 177.36 3kwf s TYR 238 N 0.62 0.11 0.38 1.61 -0.85 -0.59 -4.98 117.35 113.64 3kwf s TYR 238 Ca -0.15 -0.52 -0.24 0.00 -0.52 0.00 0.00 57.07 55.64 3kwf s TYR 238 Cb -0.16 -0.02 -0.09 0.00 0.38 0.00 0.00 41.96 42.06 3kwf s TYR 238 CO 0.04 -0.56 1.01 -1.12 -1.52 0.00 0.00 175.55 173.41 3kwf s SER 239 N -2.82 6.96 -0.09 -0.18 0.01 -1.26 -0.29 113.70 116.02 3kwf s SER 239 Ca 0.04 1.95 0.01 0.00 1.31 0.00 0.00 55.95 59.27 3kwf s SER 239 Cb 0.04 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.71 3kwf s SER 239 CO -0.11 -0.35 -0.10 0.12 0.41 0.00 0.00 173.24 173.21 3kwf s PHE 240 N -1.68 1.50 -0.12 2.43 5.36 0.16 -4.64 117.98 120.98 3kwf s PHE 240 Ca 0.56 -0.66 0.17 0.00 -0.96 0.00 0.00 56.93 56.04 3kwf s PHE 240 Cb -0.20 -1.17 -0.17 0.00 -0.34 0.00 0.00 43.02 41.14 3kwf s PHE 240 CO 0.25 -0.41 0.70 0.66 -1.46 0.00 0.00 175.22 174.97 3kwf n TYR 241 N 4.38 0.79 -4.90 10.12 4.01 -1.26 -0.64 117.16 129.65 3kwf n TYR 241 Ca -0.18 0.26 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 3kwf n TYR 241 Cb 0.51 -1.03 0.00 0.00 -0.31 0.00 0.00 39.34 38.51 3kwf n TYR 241 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3kwf n SER 242 N -2.82 -4.15 -4.61 7.72 2.88 -1.26 -4.73 113.62 106.65 3kwf n SER 242 Ca -0.12 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.10 3kwf n SER 242 Cb 0.86 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.48 3kwf n SER 242 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3kwf n ASP 243 N -2.65 -0.17 0.06 -3.46 8.00 -1.26 -4.88 116.55 112.19 3kwf n ASP 243 Ca 0.00 0.41 0.14 0.00 0.71 0.00 0.00 54.79 56.05 3kwf n ASP 243 Cb 0.00 -1.42 0.63 0.00 -0.02 0.00 0.00 41.12 40.31 3kwf n ASP 243 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3kwf h GLU 244 N -1.76 0.10 0.00 -1.24 4.81 -2.05 -1.95 114.58 112.48 3kwf h GLU 244 Ca -0.43 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.77 3kwf h GLU 244 Cb 1.27 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 3kwf h GLU 244 CO 0.40 0.06 -0.08 0.66 -0.73 0.00 0.00 179.01 179.32 3kwf h SER 245 N 0.10 0.00 -2.74 1.04 4.64 -1.93 -3.43 113.55 111.23 3kwf h SER 245 Ca 0.18 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.94 3kwf h SER 245 Cb 0.58 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 3kwf h SER 245 CO -0.02 0.08 1.03 -0.22 -0.87 0.00 0.00 176.83 176.83 3kwf s LEU 246 N -7.07 4.20 0.00 5.97 0.20 -0.73 -4.92 118.68 116.34 3kwf s LEU 246 Ca -0.03 1.94 -0.23 0.00 0.69 0.00 0.00 54.13 56.51 3kwf s LEU 246 Cb 0.13 -3.53 -0.18 0.00 -0.43 0.00 0.00 46.19 42.17 3kwf s LEU 246 CO 0.55 -0.92 1.25 -0.61 -0.29 0.00 0.00 176.35 176.33 3kwf h GLN 247 N 9.26 0.20 -5.26 1.98 4.15 -1.89 -3.44 115.11 120.11 3kwf h GLN 247 Ca -0.34 -0.13 -0.65 0.00 0.77 0.00 0.00 58.65 58.30 3kwf h GLN 247 Cb 1.15 0.01 -0.26 0.00 0.21 0.00 0.00 27.48 28.59 3kwf h GLN 247 CO 0.97 0.70 -0.74 0.71 -1.93 0.00 0.00 178.83 178.54 3kwf s TYR 248 N -4.03 2.87 0.65 3.99 1.51 -1.26 -5.11 117.35 115.97 3kwf s TYR 248 Ca -0.15 -0.64 -0.18 0.00 -1.01 0.00 0.00 57.07 55.09 3kwf s TYR 248 Cb 0.03 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 39.96 3kwf s TYR 248 CO 0.73 -0.24 1.12 -2.30 -1.11 0.00 0.00 175.55 173.75 3kwf n PRO 249 N 3.73 0.91 -3.04 -1.71 -0.02 -1.26 -5.00 135.00 128.61 3kwf n PRO 249 Ca -0.18 0.36 -0.34 0.00 -2.02 0.00 0.00 63.50 61.33 3kwf n PRO 249 Cb 0.52 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 3kwf n PRO 249 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3kwf s LYS 250 N -3.16 4.15 -0.29 -0.52 1.02 0.18 -4.90 119.74 116.22 3kwf s LYS 250 Ca 0.79 0.86 -0.10 0.00 0.02 0.00 0.00 55.97 57.54 3kwf s LYS 250 Cb -0.39 -2.51 -0.03 0.00 -0.52 0.00 0.00 37.83 34.39 3kwf s LYS 250 CO 0.44 0.18 0.16 0.99 -0.92 0.00 0.00 175.35 176.20 3kwf s THR 251 N -1.90 4.95 0.08 2.17 2.01 -1.26 -0.67 115.64 121.03 3kwf s THR 251 Ca 0.53 -0.07 -0.19 0.00 0.31 0.00 0.00 61.69 62.27 3kwf s THR 251 Cb -0.12 -3.41 -0.07 0.00 0.01 0.00 0.00 72.50 68.91 3kwf s THR 251 CO 0.18 0.20 0.57 -0.69 -0.69 0.00 0.00 174.62 174.19 3kwf s VAL 252 N 1.70 4.74 -0.11 3.82 1.01 0.60 -4.93 120.40 127.23 3kwf s VAL 252 Ca 0.06 1.21 -0.03 0.00 0.00 0.00 0.00 61.98 63.22 3kwf s VAL 252 Cb -0.16 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.37 3kwf s VAL 252 CO 0.08 0.54 0.05 -0.13 0.00 0.00 0.00 175.10 175.64 3kwf s ARG 253 N -1.15 0.29 -0.08 2.72 0.52 -1.26 -1.55 118.95 118.44 3kwf s ARG 253 Ca 0.29 0.03 0.02 0.00 -0.52 0.00 0.00 55.73 55.55 3kwf s ARG 253 Cb -0.19 -1.29 0.02 0.00 0.52 0.00 0.00 34.95 34.00 3kwf s ARG 253 CO 0.19 -0.47 -0.12 0.08 0.02 0.00 0.00 175.30 175.00 3kwf s VAL 254 N 2.05 1.19 -0.02 3.52 1.01 0.46 -4.95 120.40 123.66 3kwf s VAL 254 Ca 0.03 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.24 3kwf s VAL 254 Cb -0.14 -1.11 -0.06 0.00 0.00 0.00 0.00 36.38 35.06 3kwf s VAL 254 CO -0.06 0.38 1.72 -2.84 0.00 0.00 0.00 175.10 174.29 3kwf s PRO 255 N 0.96 4.18 -0.27 2.72 0.02 -1.26 -0.59 135.00 140.76 3kwf s PRO 255 Ca -0.09 2.29 -0.01 0.00 0.02 0.00 0.00 61.00 63.21 3kwf s PRO 255 Cb -0.15 -3.98 0.16 0.00 0.02 0.00 0.00 34.50 30.54 3kwf s PRO 255 CO 0.00 -0.86 0.45 -0.47 -0.33 0.00 0.00 177.00 175.80 3kwf s TYR 256 N 3.98 -1.11 -0.27 6.54 6.14 -0.30 -4.47 117.35 127.86 3kwf s TYR 256 Ca 0.77 1.04 -0.27 0.00 0.64 0.00 0.00 57.07 59.25 3kwf s TYR 256 Cb -0.36 0.17 0.01 0.00 0.42 0.00 0.00 41.96 42.20 3kwf s TYR 256 CO 0.32 -0.81 0.95 -1.25 0.64 0.00 0.00 175.55 175.41 3kwf s PRO 257 N 2.65 4.13 0.86 4.97 0.04 -1.26 -4.52 135.00 141.85 3kwf s PRO 257 Ca 0.15 1.03 -0.12 0.00 0.04 0.00 0.00 61.00 62.09 3kwf s PRO 257 Cb -0.15 -3.69 0.13 0.00 0.04 0.00 0.00 34.50 30.84 3kwf s PRO 257 CO -0.19 -0.69 1.21 0.15 0.04 0.00 0.00 177.00 177.51 3kwf s LYS 258 N 3.20 1.39 0.12 4.56 1.02 -1.26 -0.09 119.74 128.68 3kwf s LYS 258 Ca 0.40 -0.25 -0.31 0.00 0.02 0.00 0.00 55.97 55.83 3kwf s LYS 258 Cb -0.14 -1.96 -0.11 0.00 -0.52 0.00 0.00 37.83 35.10 3kwf s LYS 258 CO 0.10 -1.91 1.83 0.00 -0.92 0.00 0.00 175.35 174.45 3kwf n ALA 259 N -3.44 2.16 -0.63 5.17 0.00 -0.71 -1.63 120.51 121.43 3kwf n ALA 259 Ca 0.12 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3kwf n ALA 259 Cb 0.60 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.47 3kwf n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kwf n GLY 260 N 4.20 0.95 3.96 0.00 0.00 -1.26 -4.85 105.19 108.18 3kwf n GLY 260 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 3kwf n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kwf s ALA 261 N -3.33 3.39 0.04 4.61 0.00 -0.65 -5.02 121.76 120.81 3kwf s ALA 261 Ca 0.00 -1.24 -0.30 0.00 0.00 0.00 0.00 51.96 50.42 3kwf s ALA 261 Cb 0.00 -2.35 -0.08 0.00 0.00 0.00 0.00 23.12 20.69 3kwf s ALA 261 CO 0.00 -1.30 1.67 0.08 0.00 0.00 0.00 175.76 176.21 3kwf s VAL 262 N -3.16 3.14 0.56 0.00 1.01 -1.26 -4.89 120.40 115.80 3kwf s VAL 262 Ca 0.62 0.50 -0.04 0.00 0.00 0.00 0.00 61.98 63.06 3kwf s VAL 262 Cb -0.09 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.98 3kwf s VAL 262 CO 0.44 -0.01 0.85 0.20 0.00 0.00 0.00 175.10 176.57 3kwf s ASN 263 N 2.71 5.58 0.71 3.32 0.02 -1.26 -4.43 114.94 121.59 3kwf s ASN 263 Ca 0.75 0.55 -0.12 0.00 -1.02 0.00 0.00 52.86 53.03 3kwf s ASN 263 Cb -0.39 -1.58 0.02 0.00 0.02 0.00 0.00 41.25 39.33 3kwf s ASN 263 CO 0.32 -1.02 1.08 -2.16 0.02 0.00 0.00 177.10 175.34 3kwf s PRO 264 N -4.89 2.69 0.21 -0.60 0.04 -1.26 -4.74 135.00 126.45 3kwf s PRO 264 Ca 0.53 1.12 0.06 0.00 0.04 0.00 0.00 61.00 62.75 3kwf s PRO 264 Cb -0.10 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 3kwf s PRO 264 CO 0.43 -1.30 0.15 0.95 0.04 0.00 0.00 177.00 177.27 3kwf s THR 265 N -2.84 4.40 0.00 1.26 -4.23 -0.71 -4.91 115.64 108.61 3kwf s THR 265 Ca 0.61 -1.27 0.04 0.00 -1.18 0.00 0.00 61.69 59.88 3kwf s THR 265 Cb -0.16 -3.31 -0.01 0.00 1.34 0.00 0.00 72.50 70.36 3kwf s THR 265 CO 0.52 -0.23 -0.12 0.54 -0.54 0.00 0.00 174.62 174.79 3kwf s VAL 266 N -1.94 0.92 0.07 2.29 0.11 -1.26 -0.91 120.40 119.68 3kwf s VAL 266 Ca 0.32 -0.59 0.06 0.00 -2.93 0.00 0.00 61.98 58.83 3kwf s VAL 266 Cb -0.09 -0.79 -0.03 0.00 -1.53 0.00 0.00 36.38 33.94 3kwf s VAL 266 CO 0.24 0.19 -0.15 -0.54 -3.33 0.00 0.00 175.10 171.50 3kwf s LYS 267 N -0.46 0.89 -0.01 1.54 1.02 -0.37 -4.98 119.74 117.39 3kwf s LYS 267 Ca 0.03 -0.94 0.08 0.00 0.02 0.00 0.00 55.97 55.16 3kwf s LYS 267 Cb -0.05 -0.94 -0.02 0.00 -0.52 0.00 0.00 37.83 36.30 3kwf s LYS 267 CO -0.00 0.22 -0.25 0.12 -0.92 0.00 0.00 175.35 174.52 3kwf s PHE 268 N -1.16 2.37 -0.02 3.18 5.36 -1.26 -0.23 117.98 126.22 3kwf s PHE 268 Ca 0.00 -0.40 -0.02 0.00 -0.96 0.00 0.00 56.93 55.55 3kwf s PHE 268 Cb -0.10 -1.48 0.00 0.00 -0.34 0.00 0.00 43.02 41.10 3kwf s PHE 268 CO 0.02 0.03 0.05 -0.06 -1.46 0.00 0.00 175.22 173.80 3kwf s PHE 269 N -0.68 -0.04 -0.11 10.12 0.40 -0.26 -1.80 117.98 125.61 3kwf s PHE 269 Ca 0.11 0.10 0.03 0.00 -0.60 0.00 0.00 56.93 56.57 3kwf s PHE 269 Cb -0.10 0.01 -0.00 0.00 0.51 0.00 0.00 43.02 43.43 3kwf s PHE 269 CO 0.00 -0.04 -0.21 0.08 0.70 0.00 0.00 175.22 175.75 3kwf s VAL 270 N -0.07 2.29 -0.06 -0.44 1.01 0.25 -0.37 120.40 123.02 3kwf s VAL 270 Ca -0.01 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.06 3kwf s VAL 270 Cb -0.01 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 3kwf s VAL 270 CO 0.00 0.55 -0.12 -0.69 0.00 0.00 0.00 175.10 174.84 3kwf s VAL 271 N 0.39 3.29 -0.24 2.92 1.01 -0.30 -1.09 120.40 126.38 3kwf s VAL 271 Ca -0.16 -0.64 -0.23 0.00 0.00 0.00 0.00 61.98 60.95 3kwf s VAL 271 Cb -0.17 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 3kwf s VAL 271 CO 0.07 0.59 0.76 0.21 0.00 0.00 0.00 175.10 176.74 3kwf s ASN 272 N -0.76 6.75 0.32 3.32 3.84 -1.26 -0.51 114.94 126.64 3kwf s ASN 272 Ca 0.12 0.93 0.23 0.00 0.21 0.00 0.00 52.86 54.35 3kwf s ASN 272 Cb -0.11 -2.40 0.22 0.00 -0.55 0.00 0.00 41.25 38.41 3kwf s ASN 272 CO 0.01 -0.46 1.37 0.74 -2.79 0.00 0.00 177.10 175.97 3kwf h THR 273 N 5.41 0.00 0.00 -5.21 2.02 0.28 -3.27 112.91 112.13 3kwf h THR 273 Ca -0.25 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 65.98 3kwf h THR 273 Cb 1.10 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 3kwf h THR 273 CO 0.84 0.00 -0.05 0.44 0.37 0.00 0.00 175.52 177.12 3kwf h ASP 274 N 0.00 0.00 -0.66 4.18 3.32 -1.88 -3.34 116.42 118.04 3kwf h ASP 274 Ca 0.00 -0.01 -0.39 0.00 0.02 0.00 0.00 57.03 56.66 3kwf h ASP 274 Cb 0.98 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.30 3kwf h ASP 274 CO 0.00 0.00 0.16 -1.54 -1.72 0.00 0.00 179.24 176.14 3kwf n SER 275 N -2.68 3.86 -4.79 6.45 3.41 -1.23 -5.02 113.62 113.62 3kwf n SER 275 Ca 0.05 -3.75 -0.39 0.00 -0.26 0.00 0.00 58.87 54.52 3kwf n SER 275 Cb 0.48 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.67 3kwf n SER 275 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3kwf s LEU 276 N -3.40 4.52 0.01 1.04 1.43 -1.26 -5.00 118.68 116.03 3kwf s LEU 276 Ca 0.52 1.33 0.08 0.00 -1.03 0.00 0.00 54.13 55.02 3kwf s LEU 276 Cb 0.44 -2.99 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 3kwf s LEU 276 CO 0.03 0.22 -0.23 -0.55 0.23 0.00 0.00 176.35 176.05 3kwf s SER 277 N -0.93 2.72 -0.08 2.29 0.15 -1.26 -5.01 113.70 111.58 3kwf s SER 277 Ca 0.31 -0.47 0.09 0.00 0.70 0.00 0.00 55.95 56.58 3kwf s SER 277 Cb -0.20 -0.27 0.41 0.00 -1.71 0.00 0.00 66.02 64.25 3kwf s SER 277 CO 0.20 0.25 1.21 -1.54 1.20 0.00 0.00 173.24 174.56 3kwf n SER 278 N 2.22 3.05 -0.01 5.45 3.41 -1.26 -3.96 113.62 122.52 3kwf n SER 278 Ca -0.16 -2.33 -0.02 0.00 -0.26 0.00 0.00 58.87 56.10 3kwf n SER 278 Cb 0.52 -0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 63.98 3kwf n SER 278 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3kwf n VAL 279 N 0.45 0.13 -4.09 -3.33 0.31 -1.26 -5.06 118.33 105.48 3kwf n VAL 279 Ca 0.14 -0.04 -0.31 0.00 -0.01 0.00 0.00 64.34 64.12 3kwf n VAL 279 Cb 0.61 -0.96 -0.07 0.00 -0.91 0.00 0.00 33.84 32.51 3kwf n VAL 279 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3kwf s THR 280 N -2.04 4.36 0.58 2.52 2.01 -1.25 -5.11 115.64 116.70 3kwf s THR 280 Ca -0.03 -0.81 -0.21 0.00 0.31 0.00 0.00 61.69 60.95 3kwf s THR 280 Cb 0.01 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 3kwf s THR 280 CO 0.05 0.14 1.32 0.59 -0.69 0.00 0.00 174.62 176.03 3kwf n ASN 281 N 0.57 2.42 -4.76 3.53 3.02 -1.26 -4.45 115.26 114.32 3kwf n ASN 281 Ca -0.10 0.93 -0.34 0.00 -0.03 0.00 0.00 54.58 55.04 3kwf n ASN 281 Cb 0.52 -1.56 0.04 0.00 -0.61 0.00 0.00 39.78 38.16 3kwf n ASN 281 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kwf s ALA 282 N -1.32 2.51 -0.29 5.41 0.00 -1.26 -4.94 121.76 121.86 3kwf s ALA 282 Ca 0.75 0.79 -0.05 0.00 0.00 0.00 0.00 51.96 53.44 3kwf s ALA 282 Cb -0.41 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.35 3kwf s ALA 282 CO 0.47 -1.18 0.05 0.99 0.00 0.00 0.00 175.76 176.09 3kwf s THR 283 N -1.94 3.67 -0.18 0.00 2.01 -1.26 -5.05 115.64 112.89 3kwf s THR 283 Ca 0.72 -0.87 -0.13 0.00 0.31 0.00 0.00 61.69 61.72 3kwf s THR 283 Cb -0.25 -2.93 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 3kwf s THR 283 CO 0.35 0.05 0.26 -0.44 -0.69 0.00 0.00 174.62 174.16 3kwf s SER 284 N 1.44 6.37 -0.28 3.53 0.01 -1.26 -4.48 113.70 119.03 3kwf s SER 284 Ca 0.01 0.43 -0.12 0.00 1.31 0.00 0.00 55.95 57.58 3kwf s SER 284 Cb -0.18 -2.16 -0.05 0.00 0.21 0.00 0.00 66.02 63.84 3kwf s SER 284 CO 0.01 0.10 0.23 -0.63 0.41 0.00 0.00 173.24 173.35 3kwf s ILE 285 N 0.56 5.28 -0.07 1.44 -1.09 -0.25 -4.90 121.20 122.17 3kwf s ILE 285 Ca 0.15 0.25 -0.28 0.00 -2.23 0.00 0.00 60.65 58.53 3kwf s ILE 285 Cb -0.13 -3.56 -0.02 0.00 -1.58 0.00 0.00 42.46 37.17 3kwf s ILE 285 CO 0.03 0.23 0.92 -1.58 -1.23 0.00 0.00 174.94 173.31 3kwf s GLN 286 N 1.82 4.45 -0.34 2.79 0.74 -1.26 -0.58 119.66 127.28 3kwf s GLN 286 Ca 0.09 1.25 -0.13 0.00 0.05 0.00 0.00 55.36 56.61 3kwf s GLN 286 Cb -0.16 -3.50 -0.02 0.00 1.10 0.00 0.00 33.01 30.43 3kwf s GLN 286 CO 0.11 -0.17 0.25 0.42 -0.55 0.00 0.00 175.29 175.35 3kwf s ILE 287 N 1.50 5.28 0.43 -2.34 1.01 -0.74 -4.94 121.20 121.39 3kwf s ILE 287 Ca 0.46 -0.19 -0.09 0.00 0.00 0.00 0.00 60.65 60.83 3kwf s ILE 287 Cb -0.19 -3.72 -0.06 0.00 0.01 0.00 0.00 42.46 38.50 3kwf s ILE 287 CO 0.20 -0.01 0.78 0.42 0.00 0.00 0.00 174.94 176.33 3kwf s THR 288 N 1.75 4.81 0.69 2.92 -4.23 -1.26 -4.05 115.64 116.26 3kwf s THR 288 Ca 0.07 0.54 -0.13 0.00 -1.18 0.00 0.00 61.69 60.98 3kwf s THR 288 Cb -0.17 -3.77 0.01 0.00 1.34 0.00 0.00 72.50 69.91 3kwf s THR 288 CO 0.11 -0.62 1.09 0.00 -0.54 0.00 0.00 174.62 174.66 3kwf s ALA 289 N -2.48 2.48 0.64 3.99 0.00 -1.26 -4.99 121.76 120.13 3kwf s ALA 289 Ca 0.51 0.38 -0.18 0.00 0.00 0.00 0.00 51.96 52.67 3kwf s ALA 289 Cb -0.10 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 3kwf s ALA 289 CO 0.35 -1.33 1.22 -2.14 0.00 0.00 0.00 175.76 173.85 3kwf s PRO 290 N -4.44 2.71 0.44 0.00 0.02 -1.26 -4.73 135.00 127.73 3kwf s PRO 290 Ca 0.64 1.83 0.26 0.00 0.02 0.00 0.00 61.00 63.74 3kwf s PRO 290 Cb -0.18 -1.90 1.29 0.00 0.02 0.00 0.00 34.50 33.73 3kwf s PRO 290 CO 0.47 -1.41 1.73 0.00 -0.33 0.00 0.00 177.00 177.45 3kwf h ALA 291 N 0.52 2.57 0.00 -1.55 0.00 -1.99 0.20 119.26 119.02 3kwf h ALA 291 Ca -0.50 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3kwf h ALA 291 Cb 1.30 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3kwf h ALA 291 CO 0.54 -1.03 0.00 -1.13 0.00 0.00 0.00 179.25 177.62 3kwf n SER 292 N -4.55 0.00 -0.11 0.00 3.41 -1.26 -3.16 113.62 107.94 3kwf n SER 292 Ca 0.29 0.23 -0.15 0.00 -0.26 0.00 0.00 58.87 58.99 3kwf n SER 292 Cb 1.13 -0.40 -0.11 0.00 -0.26 0.00 0.00 64.21 64.57 3kwf n SER 292 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kwf n MET 293 N -1.40 0.66 0.28 4.33 2.00 0.64 -4.51 117.12 119.12 3kwf n MET 293 Ca 0.08 0.11 0.17 0.00 0.00 0.00 0.00 57.70 58.06 3kwf n MET 293 Cb 0.24 -1.46 0.89 0.00 0.00 0.00 0.00 33.22 32.89 3kwf n MET 293 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3kwf h LEU 294 N 0.00 0.00 0.30 4.03 4.07 -1.32 -3.12 115.31 119.27 3kwf h LEU 294 Ca -0.51 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.44 3kwf h LEU 294 Cb 1.85 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.59 3kwf h LEU 294 CO -0.06 0.00 -0.15 0.40 -1.08 0.00 0.00 178.44 177.55 3kwf h ILE 295 N 0.00 0.70 -2.88 1.22 2.04 -1.79 -3.46 117.51 113.34 3kwf h ILE 295 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3kwf h ILE 295 Cb 0.23 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 3kwf h ILE 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 3kwf n GLY 296 N -1.26 5.71 3.72 5.37 0.00 -1.18 -5.12 105.19 112.44 3kwf n GLY 296 Ca -0.10 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 3kwf n GLY 296 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kwf n ASP 297 N -0.74 2.87 -3.19 1.61 9.92 -1.26 -4.95 116.55 120.80 3kwf n ASP 297 Ca 0.00 1.12 -0.11 0.00 -0.53 0.00 0.00 54.79 55.27 3kwf n ASP 297 Cb 0.00 -1.54 -0.01 0.00 -0.64 0.00 0.00 41.12 38.93 3kwf n ASP 297 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 3kwf s HIS 298 N -1.19 0.44 0.10 1.24 -3.43 -1.26 -1.64 115.29 109.54 3kwf s HIS 298 Ca 0.61 -0.92 0.03 0.00 -0.80 0.00 0.00 55.06 53.98 3kwf s HIS 298 Cb -0.49 0.46 -0.04 0.00 -1.43 0.00 0.00 32.58 31.09 3kwf s HIS 298 CO 0.58 -1.35 -0.09 0.71 -2.00 0.00 0.00 174.74 172.59 3kwf s TYR 299 N -2.82 1.01 -0.19 0.38 2.02 0.16 -4.79 117.35 113.12 3kwf s TYR 299 Ca 0.21 -0.71 -0.22 0.00 -0.37 0.00 0.00 57.07 55.98 3kwf s TYR 299 Cb -0.03 -0.56 -0.02 0.00 -0.40 0.00 0.00 41.96 40.95 3kwf s TYR 299 CO 0.14 -0.03 0.69 -1.17 -1.57 0.00 0.00 175.55 173.61 3kwf s LEU 300 N -2.57 4.15 -0.23 -1.29 0.20 -1.26 -1.55 118.68 116.13 3kwf s LEU 300 Ca 0.07 0.93 -0.16 0.00 0.69 0.00 0.00 54.13 55.65 3kwf s LEU 300 Cb -0.01 -2.99 -0.12 0.00 -0.43 0.00 0.00 46.19 42.63 3kwf s LEU 300 CO -0.01 -0.31 -0.17 0.00 -0.29 0.00 0.00 176.35 175.57 3kwf s ASP 302 N -6.93 -0.15 -0.08 0.00 2.15 -1.15 -4.85 116.67 105.66 3kwf s ASP 302 Ca -0.32 0.21 -0.01 0.00 0.43 0.00 0.00 52.55 52.86 3kwf s ASP 302 Cb 0.10 0.36 0.03 0.00 -0.30 0.00 0.00 42.92 43.10 3kwf s ASP 302 CO 0.49 -0.20 -0.03 -0.69 -0.17 0.00 0.00 175.17 174.57 3kwf s VAL 303 N -0.48 0.61 -0.21 1.11 1.01 -1.26 -1.45 120.40 119.73 3kwf s VAL 303 Ca -0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 3kwf s VAL 303 Cb -0.04 -0.71 0.09 0.00 0.00 0.00 0.00 36.38 35.72 3kwf s VAL 303 CO 0.01 0.29 0.18 -0.89 0.00 0.00 0.00 175.10 174.69 3kwf s THR 304 N 1.75 -0.23 0.21 3.92 2.01 -0.81 -5.03 115.64 117.47 3kwf s THR 304 Ca 0.03 -0.24 -0.32 0.00 0.31 0.00 0.00 61.69 61.46 3kwf s THR 304 Cb -0.13 -0.71 -0.13 0.00 0.01 0.00 0.00 72.50 71.54 3kwf s THR 304 CO -0.05 -0.32 1.57 0.79 -0.69 0.00 0.00 174.62 175.92 3kwf n TRP 305 N 5.30 2.45 -0.09 4.92 7.02 -1.26 -1.28 117.44 134.49 3kwf n TRP 305 Ca -0.06 0.26 -0.17 0.00 -1.02 0.00 0.00 57.50 56.52 3kwf n TRP 305 Cb 0.48 -2.56 -0.09 0.00 -2.42 0.00 0.00 31.31 26.72 3kwf n TRP 305 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3kwf h ALA 306 N 5.46 0.18 -3.16 6.99 0.00 -0.20 -3.47 119.26 125.07 3kwf h ALA 306 Ca -0.45 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.49 3kwf h ALA 306 Cb 1.24 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.66 3kwf h ALA 306 CO 0.85 0.60 0.00 0.25 0.00 0.00 0.00 179.25 180.95 3kwf n THR 307 N -4.50 0.00 0.32 0.00 -2.24 -0.93 -4.68 114.28 102.25 3kwf n THR 307 Ca -0.24 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 61.75 3kwf n THR 307 Cb 0.55 0.00 1.06 0.00 -2.10 0.00 0.00 70.33 69.84 3kwf n THR 307 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3kwf h GLN 308 N 0.00 0.00 0.00 -0.78 1.08 -1.97 -3.22 115.11 110.22 3kwf h GLN 308 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3kwf h GLN 308 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3kwf h GLN 308 CO 0.00 0.01 -0.29 0.39 -0.95 0.00 0.00 178.83 177.99 3kwf n GLU 309 N -3.17 0.37 -3.98 1.46 1.02 -1.26 -4.89 120.64 110.19 3kwf n GLU 309 Ca -0.02 -1.17 -0.20 0.00 -0.02 0.00 0.00 57.16 55.75 3kwf n GLU 309 Cb 0.13 -0.69 -0.17 0.00 -0.02 0.00 0.00 31.44 30.70 3kwf n GLU 309 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3kwf s ARG 310 N -0.51 0.61 0.04 3.49 3.52 -1.22 -1.67 118.95 123.23 3kwf s ARG 310 Ca 0.05 0.01 0.08 0.00 -0.13 0.00 0.00 55.73 55.73 3kwf s ARG 310 Cb 0.04 -0.78 -0.03 0.00 -1.56 0.00 0.00 34.95 32.62 3kwf s ARG 310 CO 0.00 -0.16 -0.20 0.42 -0.81 0.00 0.00 175.30 174.56 3kwf s ILE 311 N 1.26 2.67 -0.09 4.11 1.01 -0.43 0.57 121.20 130.31 3kwf s ILE 311 Ca -0.06 -1.23 -0.00 0.00 0.00 0.00 0.00 60.65 59.36 3kwf s ILE 311 Cb -0.13 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 3kwf s ILE 311 CO -0.02 0.33 -0.08 -0.55 0.00 0.00 0.00 174.94 174.63 3kwf s SER 312 N -1.42 4.54 -0.04 3.58 0.15 -0.40 -0.93 113.70 119.17 3kwf s SER 312 Ca 0.14 -0.10 0.02 0.00 0.70 0.00 0.00 55.95 56.71 3kwf s SER 312 Cb -0.10 -1.34 0.01 0.00 -1.71 0.00 0.00 66.02 62.87 3kwf s SER 312 CO 0.05 0.29 -0.09 -0.76 1.20 0.00 0.00 173.24 173.92 3kwf s LEU 313 N -0.37 1.69 -0.06 3.45 1.43 -0.30 -1.92 118.68 122.60 3kwf s LEU 313 Ca 0.05 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 3kwf s LEU 313 Cb -0.12 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.45 3kwf s LEU 313 CO 0.02 0.04 -0.10 -1.10 0.23 0.00 0.00 176.35 175.45 3kwf s GLN 314 N 0.40 2.63 0.13 1.70 -0.21 -0.53 -0.09 119.66 123.70 3kwf s GLN 314 Ca -0.07 -0.62 0.06 0.00 0.02 0.00 0.00 55.36 54.75 3kwf s GLN 314 Cb -0.11 -2.49 -0.04 0.00 1.00 0.00 0.00 33.01 31.36 3kwf s GLN 314 CO 0.01 0.64 -0.14 -1.58 -2.12 0.00 0.00 175.29 172.11 3kwf s TRP 315 N -0.79 1.42 -0.01 0.91 0.52 -0.32 0.31 118.94 120.98 3kwf s TRP 315 Ca 0.12 -0.57 -0.00 0.00 0.02 0.00 0.00 56.10 55.67 3kwf s TRP 315 Cb -0.11 -0.73 0.02 0.00 -1.15 0.00 0.00 33.47 31.50 3kwf s TRP 315 CO 0.01 0.16 0.02 -1.17 0.02 0.00 0.00 176.95 175.99 3kwf s LEU 316 N -2.57 1.43 0.57 2.99 0.20 -0.60 -1.38 118.68 119.33 3kwf s LEU 316 Ca 0.11 0.03 -0.18 0.00 0.69 0.00 0.00 54.13 54.78 3kwf s LEU 316 Cb -0.04 -0.02 -0.04 0.00 -0.43 0.00 0.00 46.19 45.65 3kwf s LEU 316 CO 0.03 -0.08 1.12 -0.13 -0.29 0.00 0.00 176.35 177.00 3kwf s ARG 317 N 0.64 3.22 0.39 1.98 0.52 -1.05 0.38 118.95 125.03 3kwf s ARG 317 Ca -0.05 1.53 0.14 0.00 -0.52 0.00 0.00 55.73 56.83 3kwf s ARG 317 Cb -0.08 -1.99 0.99 0.00 0.52 0.00 0.00 34.95 34.39 3kwf s ARG 317 CO -0.02 -0.94 1.85 -0.09 0.02 0.00 0.00 175.30 176.12 3kwf h ARG 318 N 0.87 0.49 -6.03 3.54 2.43 -1.62 -3.10 114.38 110.96 3kwf h ARG 318 Ca -0.49 -0.03 -0.58 0.00 -0.81 0.00 0.00 59.98 58.07 3kwf h ARG 318 Cb 1.26 -0.11 -0.11 0.00 -0.42 0.00 0.00 29.97 30.59 3kwf h ARG 318 CO 0.56 0.32 0.81 0.42 -1.51 0.00 0.00 179.97 180.58 3kwf s ILE 319 N -5.53 4.05 -0.32 1.20 1.01 -1.26 -4.81 121.20 115.54 3kwf s ILE 319 Ca -0.09 0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.76 3kwf s ILE 319 Cb 0.23 -4.76 0.12 0.00 0.01 0.00 0.00 42.46 38.06 3kwf s ILE 319 CO 0.79 -1.55 2.38 0.00 0.00 0.00 0.00 174.94 176.55 3kwf n GLN 320 N 8.44 1.97 -0.19 2.79 6.02 -1.17 -3.81 117.38 131.44 3kwf n GLN 320 Ca 0.01 -1.70 0.05 0.00 -0.01 0.00 0.00 57.00 55.36 3kwf n GLN 320 Cb 0.48 -1.78 0.14 0.00 1.02 0.00 0.00 30.24 30.09 3kwf n GLN 320 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3kwf n ASN 321 N 0.73 2.89 -3.68 1.08 0.23 -1.26 -1.76 115.26 113.48 3kwf n ASN 321 Ca 0.36 -2.29 -0.14 0.00 -0.53 0.00 0.00 54.58 51.98 3kwf n ASN 321 Cb 0.59 -0.26 -0.14 0.00 -2.08 0.00 0.00 39.78 37.89 3kwf n ASN 321 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3kwf s TYR 322 N -1.51 -0.34 0.05 -2.53 6.14 -1.25 -1.03 117.35 116.89 3kwf s TYR 322 Ca 0.23 0.84 0.01 0.00 0.64 0.00 0.00 57.07 58.78 3kwf s TYR 322 Cb 0.15 -0.07 -0.03 0.00 0.42 0.00 0.00 41.96 42.43 3kwf s TYR 322 CO 0.10 -0.30 -0.05 -1.54 0.64 0.00 0.00 175.55 174.40 3kwf s SER 323 N 2.08 0.67 -0.06 4.32 1.04 0.52 -2.54 113.70 119.74 3kwf s SER 323 Ca -0.01 -0.75 0.01 0.00 0.48 0.00 0.00 55.95 55.68 3kwf s SER 323 Cb -0.12 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.13 3kwf s SER 323 CO -0.08 -0.38 -0.06 -0.69 0.98 0.00 0.00 173.24 173.01 3kwf s VAL 324 N -2.52 0.72 -0.23 5.02 1.01 -0.48 -1.23 120.40 122.69 3kwf s VAL 324 Ca -0.02 -0.20 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 3kwf s VAL 324 Cb -0.02 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.58 3kwf s VAL 324 CO -0.04 0.28 0.24 -0.32 0.00 0.00 0.00 175.10 175.26 3kwf s MET 325 N 1.05 4.08 -0.11 2.72 1.75 -0.01 -1.17 119.30 127.62 3kwf s MET 325 Ca -0.08 -0.13 -0.03 0.00 -1.25 0.00 0.00 55.69 54.19 3kwf s MET 325 Cb -0.14 -3.56 -0.03 0.00 2.84 0.00 0.00 34.83 33.94 3kwf s MET 325 CO -0.01 -0.01 0.02 0.34 -0.65 0.00 0.00 175.02 174.72 3kwf s ASP 326 N 1.14 5.32 -0.27 1.11 -1.08 0.88 -1.75 116.67 122.02 3kwf s ASP 326 Ca 0.11 0.12 -0.02 0.00 -0.52 0.00 0.00 52.55 52.24 3kwf s ASP 326 Cb -0.14 -1.63 0.03 0.00 -1.46 0.00 0.00 42.92 39.71 3kwf s ASP 326 CO 0.06 0.32 -0.03 -0.63 0.52 0.00 0.00 175.17 175.42 3kwf s ILE 327 N -0.54 3.05 -0.13 4.11 1.01 -1.26 -1.15 121.20 126.30 3kwf s ILE 327 Ca 0.09 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 3kwf s ILE 327 Cb -0.12 -2.60 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 3kwf s ILE 327 CO 0.02 0.11 -0.11 0.00 0.00 0.00 0.00 174.94 174.96 3kwf s ASP 329 N 0.23 3.98 0.09 0.00 1.01 0.00 -1.31 116.67 120.68 3kwf s ASP 329 Ca -0.07 -0.38 -0.30 0.00 0.71 0.00 0.00 52.55 52.50 3kwf s ASP 329 Cb -0.15 -0.70 -0.06 0.00 1.01 0.00 0.00 42.92 43.02 3kwf s ASP 329 CO 0.05 0.25 1.05 -0.47 0.21 0.00 0.00 175.17 176.26 3kwf s TYR 330 N -0.96 3.64 -0.54 4.23 5.04 -0.67 -1.13 117.35 126.96 3kwf s TYR 330 Ca 0.16 1.62 -0.16 0.00 -2.44 0.00 0.00 57.07 56.25 3kwf s TYR 330 Cb -0.11 -3.20 0.13 0.00 0.35 0.00 0.00 41.96 39.13 3kwf s TYR 330 CO 0.06 -0.36 0.50 0.34 -1.34 0.00 0.00 175.55 174.76 3kwf s ASP 331 N 0.43 6.19 0.38 4.32 -1.08 0.71 -4.95 116.67 122.67 3kwf s ASP 331 Ca 0.51 -1.78 0.13 0.00 -0.52 0.00 0.00 52.55 50.89 3kwf s ASP 331 Cb -0.26 -2.21 0.94 0.00 -1.46 0.00 0.00 42.92 39.93 3kwf s ASP 331 CO 0.31 -0.86 1.87 -0.08 0.52 0.00 0.00 175.17 176.92 3kwf h GLU 332 N 8.89 0.54 -0.02 4.34 4.81 -1.96 0.25 114.58 131.44 3kwf h GLU 332 Ca -0.30 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 58.84 3kwf h GLU 332 Cb 1.10 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.36 3kwf h GLU 332 CO 1.04 0.36 -0.22 0.66 -0.73 0.00 0.00 179.01 180.12 3kwf h SER 333 N 0.56 0.22 0.95 1.04 4.64 -1.97 -3.35 113.55 115.65 3kwf h SER 333 Ca 0.45 -0.72 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 3kwf h SER 333 Cb 0.90 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3kwf h SER 333 CO -0.19 0.91 -1.05 -1.54 -0.87 0.00 0.00 176.83 174.09 3kwf n SER 334 N -4.54 0.83 0.00 4.97 3.41 -1.12 -4.98 113.62 112.19 3kwf n SER 334 Ca -0.09 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 3kwf n SER 334 Cb 0.47 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 3kwf n SER 334 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kwf n GLY 335 N 1.19 0.49 3.13 5.00 0.00 0.85 -5.06 105.19 110.79 3kwf n GLY 335 Ca -0.01 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 3kwf n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kwf n ARG 336 N -2.86 0.82 -4.36 1.61 5.12 -1.19 -4.88 116.66 110.92 3kwf n ARG 336 Ca 0.00 -2.84 -0.23 0.00 -1.93 0.00 0.00 57.85 52.86 3kwf n ARG 336 Cb 0.00 0.31 -0.16 0.00 -1.16 0.00 0.00 32.46 31.45 3kwf n ARG 336 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3kwf s TRP 337 N -2.25 1.13 -0.06 -1.55 0.52 -1.26 -0.21 118.94 115.26 3kwf s TRP 337 Ca 0.25 -0.39 0.06 0.00 0.02 0.00 0.00 56.10 56.04 3kwf s TRP 337 Cb -0.02 -0.89 -0.01 0.00 -1.15 0.00 0.00 33.47 31.40 3kwf s TRP 337 CO 0.16 -0.25 -0.24 -0.80 0.02 0.00 0.00 176.95 175.85 3kwf s ASN 338 N 0.82 2.90 -0.37 2.95 0.01 -0.28 -4.90 114.94 116.07 3kwf s ASN 338 Ca -0.12 -0.49 0.00 0.00 -0.71 0.00 0.00 52.86 51.55 3kwf s ASN 338 Cb -0.15 -0.83 0.10 0.00 0.41 0.00 0.00 41.25 40.78 3kwf s ASN 338 CO 0.02 0.22 0.12 0.00 -1.51 0.00 0.00 177.10 175.95 3kwf s LEU 340 N 1.04 4.45 0.61 0.00 1.02 -1.25 -4.93 118.68 119.62 3kwf s LEU 340 Ca 0.09 2.19 0.34 0.00 0.02 0.00 0.00 54.13 56.76 3kwf s LEU 340 Cb -0.21 -3.60 1.98 0.00 0.02 0.00 0.00 46.19 44.38 3kwf s LEU 340 CO -0.06 -0.35 2.28 0.58 0.02 0.00 0.00 176.35 178.83 3kwf h VAL 341 N 3.80 0.38 -0.24 -1.59 2.07 -1.97 -2.21 116.25 116.49 3kwf h VAL 341 Ca -0.44 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3kwf h VAL 341 Cb 1.21 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3kwf h VAL 341 CO 0.74 0.00 0.16 0.00 0.02 0.00 0.00 177.57 178.50 3kwf h ALA 342 N 2.00 1.83 -0.23 1.67 0.00 -1.96 -2.49 119.26 120.07 3kwf h ALA 342 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kwf h ALA 342 Cb 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3kwf h ALA 342 CO 0.00 0.16 0.00 2.89 0.00 0.00 0.00 179.25 182.30 3kwf n ARG 343 N -4.50 2.42 -1.96 0.00 0.00 -0.83 -4.73 116.66 107.05 3kwf n ARG 343 Ca 0.01 -2.11 -0.41 0.00 -0.00 0.00 0.00 57.85 55.33 3kwf n ARG 343 Cb 0.07 -1.49 -0.02 0.00 -0.00 0.00 0.00 32.46 31.02 3kwf n ARG 343 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3kwf s GLN 344 N -1.72 4.24 0.01 2.89 -0.21 -0.94 -4.48 119.66 119.45 3kwf s GLN 344 Ca 0.34 2.35 0.08 0.00 0.02 0.00 0.00 55.36 58.15 3kwf s GLN 344 Cb 0.22 -3.11 -0.03 0.00 1.00 0.00 0.00 33.01 31.09 3kwf s GLN 344 CO 0.31 -0.48 -0.24 -1.01 -2.12 0.00 0.00 175.29 171.75 3kwf s HIS 345 N 0.21 2.39 -0.17 0.91 3.76 -0.72 -4.96 115.29 116.72 3kwf s HIS 345 Ca 0.62 -0.38 -0.06 0.00 -0.15 0.00 0.00 55.06 55.09 3kwf s HIS 345 Cb -0.43 -1.46 -0.04 0.00 1.11 0.00 0.00 32.58 31.76 3kwf s HIS 345 CO 0.42 0.09 0.03 0.42 -0.85 0.00 0.00 174.74 174.84 3kwf s ILE 346 N -0.74 4.50 -0.23 0.60 1.01 -1.26 -0.83 121.20 124.24 3kwf s ILE 346 Ca 0.11 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.63 3kwf s ILE 346 Cb -0.10 -3.00 0.04 0.00 0.01 0.00 0.00 42.46 39.41 3kwf s ILE 346 CO 0.01 0.48 -0.12 -0.70 0.00 0.00 0.00 174.94 174.62 3kwf s GLU 347 N 0.26 2.65 0.25 2.79 2.12 -0.36 -5.01 118.70 121.40 3kwf s GLU 347 Ca 0.02 -1.08 0.04 0.00 0.36 0.00 0.00 54.97 54.31 3kwf s GLU 347 Cb -0.13 -2.84 -0.05 0.00 0.26 0.00 0.00 34.13 31.37 3kwf s GLU 347 CO 0.01 -0.41 -0.01 0.00 -0.54 0.00 0.00 175.26 174.31 3kwf s MET 348 N 1.23 1.43 -0.03 4.30 0.23 -1.26 -0.35 119.30 124.84 3kwf s MET 348 Ca -0.02 -1.73 0.01 0.00 -1.03 0.00 0.00 55.69 52.92 3kwf s MET 348 Cb -0.17 -0.77 0.02 0.00 -1.53 0.00 0.00 34.83 32.38 3kwf s MET 348 CO -0.07 -0.08 -0.02 0.45 -2.03 0.00 0.00 175.02 173.27 3kwf s SER 349 N -3.36 0.60 0.00 -1.18 0.15 -0.19 -4.97 113.70 104.74 3kwf s SER 349 Ca 0.30 -0.07 -0.05 0.00 0.70 0.00 0.00 55.95 56.83 3kwf s SER 349 Cb 0.06 -0.26 -0.29 0.00 -1.71 0.00 0.00 66.02 63.82 3kwf s SER 349 CO 0.10 -0.05 0.86 0.74 1.20 0.00 0.00 173.24 176.09 3kwf h THR 350 N 5.96 1.15 0.00 6.45 2.02 -1.93 -3.39 112.91 123.17 3kwf h THR 350 Ca -0.38 -2.76 0.00 0.00 0.77 0.00 0.00 66.41 64.03 3kwf h THR 350 Cb 1.15 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 70.35 3kwf h THR 350 CO 0.48 0.83 -1.03 0.35 0.37 0.00 0.00 175.52 176.53 3kwf n THR 351 N -3.50 0.27 0.00 3.16 -2.24 -1.26 -5.03 114.28 105.68 3kwf n THR 351 Ca -0.17 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3kwf n THR 351 Cb 1.05 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 3kwf n THR 351 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kwf n GLY 352 N 1.32 2.37 3.98 3.38 0.00 -1.26 -4.84 105.19 110.15 3kwf n GLY 352 Ca 0.01 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 3kwf n GLY 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3kwf s TRP 353 N 0.92 1.54 -0.22 1.61 -2.14 -1.26 -4.60 118.94 114.79 3kwf s TRP 353 Ca 0.00 -0.76 -0.09 0.00 2.66 0.00 0.00 56.10 57.91 3kwf s TRP 353 Cb 0.00 -2.10 -0.05 0.00 -3.10 0.00 0.00 33.47 28.23 3kwf s TRP 353 CO 0.00 -0.86 0.12 0.08 -2.66 0.00 0.00 176.95 173.63 3kwf s VAL 354 N -2.70 5.16 0.00 -0.66 1.01 -0.73 -4.74 120.40 117.75 3kwf s VAL 354 Ca 0.51 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.59 3kwf s VAL 354 Cb -0.04 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.96 3kwf s VAL 354 CO 0.32 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.43 3kwf n GLY 355 N 3.94 -0.92 0.07 4.51 0.00 -1.26 -3.48 105.19 108.05 3kwf n GLY 355 Ca -0.16 -1.66 -0.07 0.00 0.00 0.00 0.00 46.02 44.13 3kwf n GLY 355 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kwf h ARG 356 N 0.00 -0.02 0.00 1.61 3.08 -1.95 -3.42 114.38 113.68 3kwf h ARG 356 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kwf h ARG 356 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3kwf h ARG 356 CO 0.00 0.47 -0.72 1.19 -1.07 0.00 0.00 179.97 179.84 3kwf n PHE 357 N -4.72 0.00 -3.52 3.04 3.72 -1.26 -4.90 117.46 109.82 3kwf n PHE 357 Ca -0.05 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.26 3kwf n PHE 357 Cb 0.24 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.76 3kwf n PHE 357 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3kwf s ARG 358 N -1.70 0.95 0.27 -1.08 1.70 -1.26 -5.01 118.95 112.83 3kwf s ARG 358 Ca 0.00 -0.38 -0.30 0.00 -0.47 0.00 0.00 55.73 54.58 3kwf s ARG 358 Cb 0.00 0.42 -0.13 0.00 -0.57 0.00 0.00 34.95 34.67 3kwf s ARG 358 CO 0.00 -0.42 1.28 -2.30 -1.08 0.00 0.00 175.30 172.78 3kwf n PRO 359 N -0.29 1.85 -1.92 3.89 -0.02 -1.23 -4.24 135.00 133.04 3kwf n PRO 359 Ca -0.10 0.66 -0.35 0.00 -2.02 0.00 0.00 63.50 61.69 3kwf n PRO 359 Cb 0.62 -2.22 0.04 0.00 -0.02 0.00 0.00 33.50 31.91 3kwf n PRO 359 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kwf s SER 360 N -0.06 5.16 0.28 2.55 1.04 -1.26 -4.92 113.70 116.49 3kwf s SER 360 Ca 0.63 2.22 -0.29 0.00 0.48 0.00 0.00 55.95 59.00 3kwf s SER 360 Cb -0.66 -2.58 -0.09 0.00 0.10 0.00 0.00 66.02 62.79 3kwf s SER 360 CO 0.55 -1.61 1.01 -0.70 0.98 0.00 0.00 173.24 173.48 3kwf s GLU 361 N -3.61 4.67 0.37 4.02 2.12 -1.26 -4.92 118.70 120.08 3kwf s GLU 361 Ca 0.73 1.59 -0.23 0.00 0.36 0.00 0.00 54.97 57.41 3kwf s GLU 361 Cb -0.26 -3.11 -0.10 0.00 0.26 0.00 0.00 34.13 30.92 3kwf s GLU 361 CO 0.35 0.31 0.93 -1.25 -0.54 0.00 0.00 175.26 175.06 3kwf s PRO 362 N -1.53 4.40 -0.29 4.30 0.04 -1.26 -4.62 135.00 136.04 3kwf s PRO 362 Ca 0.45 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.70 3kwf s PRO 362 Cb -0.27 -2.52 0.06 0.00 0.04 0.00 0.00 34.50 31.81 3kwf s PRO 362 CO 0.34 0.15 -0.04 -1.01 0.04 0.00 0.00 177.00 176.47 3kwf s HIS 363 N -1.87 3.29 0.29 0.56 3.76 0.34 -4.94 115.29 116.72 3kwf s HIS 363 Ca 0.55 -2.11 -0.20 0.00 -0.15 0.00 0.00 55.06 53.16 3kwf s HIS 363 Cb -0.14 -2.08 -0.09 0.00 1.11 0.00 0.00 32.58 31.38 3kwf s HIS 363 CO 0.19 -0.84 0.79 -0.06 -0.85 0.00 0.00 174.74 173.96 3kwf s PHE 364 N 1.18 3.54 0.61 1.40 0.08 -1.26 -0.24 117.98 123.29 3kwf s PHE 364 Ca -0.06 1.43 -0.16 0.00 0.12 0.00 0.00 56.93 58.26 3kwf s PHE 364 Cb -0.20 -2.67 -0.03 0.00 -0.57 0.00 0.00 43.02 39.56 3kwf s PHE 364 CO -0.03 0.20 1.07 0.95 -0.10 0.00 0.00 175.22 177.32 3kwf s THR 365 N -1.73 3.64 0.31 0.64 -4.23 -0.45 -4.93 115.64 108.90 3kwf s THR 365 Ca 0.49 0.78 0.08 0.00 -1.18 0.00 0.00 61.69 61.86 3kwf s THR 365 Cb -0.14 -3.30 0.31 0.00 1.34 0.00 0.00 72.50 70.70 3kwf s THR 365 CO 0.20 -0.46 1.75 0.25 -0.54 0.00 0.00 174.62 175.82 3kwf h LEU 366 N 0.34 0.72 -0.19 4.79 6.46 -1.92 0.14 115.31 125.65 3kwf h LEU 366 Ca -0.47 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.41 3kwf h LEU 366 Cb 1.23 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.16 3kwf h LEU 366 CO 0.56 0.17 0.00 -0.90 -0.62 0.00 0.00 178.44 177.66 3kwf n ASP 367 N -4.83 0.43 0.00 1.25 5.68 -1.26 -4.88 116.55 112.94 3kwf n ASP 367 Ca 0.25 0.57 0.00 0.00 -0.50 0.00 0.00 54.79 55.11 3kwf n ASP 367 Cb 0.68 -0.67 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3kwf n ASP 367 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kwf n GLY 368 N 0.73 0.74 0.18 6.12 0.00 0.51 -4.87 105.19 108.60 3kwf n GLY 368 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 3kwf n GLY 368 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kwf n ASN 369 N -0.02 0.90 -3.67 1.61 3.02 -1.26 -4.93 115.26 110.92 3kwf n ASN 369 Ca 0.00 -0.73 -0.10 0.00 -0.03 0.00 0.00 54.58 53.71 3kwf n ASN 369 Cb 0.01 0.18 -0.04 0.00 -0.61 0.00 0.00 39.78 39.32 3kwf n ASN 369 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kwf s SER 370 N -2.64 -0.26 0.19 6.41 1.04 -1.26 -1.49 113.70 115.69 3kwf s SER 370 Ca 0.20 -0.37 -0.13 0.00 0.48 0.00 0.00 55.95 56.13 3kwf s SER 370 Cb 0.19 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.83 3kwf s SER 370 CO 0.57 -0.94 0.41 0.72 0.98 0.00 0.00 173.24 174.99 3kwf s PHE 371 N -3.83 0.20 0.08 5.02 -0.12 -0.19 -1.34 117.98 117.80 3kwf s PHE 371 Ca 0.06 -0.56 0.10 0.00 -0.05 0.00 0.00 56.93 56.48 3kwf s PHE 371 Cb 0.01 0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.52 3kwf s PHE 371 CO -0.08 -0.85 -0.26 0.71 -0.05 0.00 0.00 175.22 174.69 3kwf s TYR 372 N -3.94 2.28 -0.22 3.49 1.51 0.66 -0.65 117.35 120.48 3kwf s TYR 372 Ca 0.15 -0.40 -0.18 0.00 -1.01 0.00 0.00 57.07 55.63 3kwf s TYR 372 Cb 0.01 -1.31 0.06 0.00 -0.11 0.00 0.00 41.96 40.60 3kwf s TYR 372 CO 0.01 0.20 0.57 0.21 -1.11 0.00 0.00 175.55 175.43 3kwf s LYS 373 N -1.55 0.64 -0.06 -0.62 2.20 -0.74 -0.50 119.74 119.11 3kwf s LYS 373 Ca 0.12 0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 56.29 3kwf s LYS 373 Cb -0.10 0.26 -0.02 0.00 -1.51 0.00 0.00 37.83 36.46 3kwf s LYS 373 CO 0.04 -0.10 1.03 0.42 -0.36 0.00 0.00 175.35 176.37 3kwf s ILE 374 N 0.62 4.72 0.01 5.43 1.01 -1.26 -0.48 121.20 131.25 3kwf s ILE 374 Ca -0.03 1.97 0.00 0.00 0.00 0.00 0.00 60.65 62.60 3kwf s ILE 374 Cb -0.05 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.15 3kwf s ILE 374 CO -0.04 0.06 -0.02 -0.63 0.00 0.00 0.00 174.94 174.31 3kwf s ILE 375 N 1.66 0.07 -0.01 2.92 -1.09 -0.13 -4.61 121.20 120.02 3kwf s ILE 375 Ca 0.51 -0.54 -0.30 0.00 -2.23 0.00 0.00 60.65 58.09 3kwf s ILE 375 Cb -0.20 -0.16 -0.05 0.00 -1.58 0.00 0.00 42.46 40.47 3kwf s ILE 375 CO 0.22 -0.30 1.26 -0.55 -1.23 0.00 0.00 174.94 174.35 3kwf s SER 376 N -0.86 6.99 0.90 3.58 0.15 -1.26 -0.73 113.70 122.47 3kwf s SER 376 Ca -0.09 1.97 -0.01 0.00 0.70 0.00 0.00 55.95 58.51 3kwf s SER 376 Cb -0.06 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.71 3kwf s SER 376 CO -0.01 -0.60 0.12 -0.46 1.20 0.00 0.00 173.24 173.50 3kwf n ASN 377 N 4.90 0.03 0.11 5.45 2.04 0.15 -4.85 115.26 123.08 3kwf n ASN 377 Ca 0.11 -1.06 0.05 0.00 -0.44 0.00 0.00 54.58 53.24 3kwf n ASN 377 Cb 0.45 -0.09 0.48 0.00 -2.53 0.00 0.00 39.78 38.09 3kwf n ASN 377 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 3kwf h GLU 378 N 0.00 0.31 -0.21 -3.83 4.11 -1.96 -1.40 114.58 111.60 3kwf h GLU 378 Ca -0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.36 3kwf h GLU 378 Cb 0.12 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3kwf h GLU 378 CO 0.03 0.26 0.00 0.39 0.07 0.00 0.00 179.01 179.76 3kwf n GLU 379 N -4.44 1.94 -0.71 1.06 1.02 -1.26 -4.94 120.64 113.31 3kwf n GLU 379 Ca 0.00 -1.42 0.00 0.00 -0.02 0.00 0.00 57.16 55.73 3kwf n GLU 379 Cb 0.12 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 3kwf n GLU 379 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kwf n GLY 380 N 1.23 0.60 3.85 0.62 0.00 -0.53 -4.77 105.19 106.19 3kwf n GLY 380 Ca 0.17 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 3kwf n GLY 380 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kwf s TYR 381 N -2.00 3.50 -0.34 1.61 1.51 -1.26 0.45 117.35 120.82 3kwf s TYR 381 Ca 0.00 0.42 -0.23 0.00 -1.01 0.00 0.00 57.07 56.25 3kwf s TYR 381 Cb 0.00 -1.88 0.01 0.00 -0.11 0.00 0.00 41.96 39.98 3kwf s TYR 381 CO 0.00 0.67 0.79 1.03 -1.11 0.00 0.00 175.55 176.93 3kwf s ARG 382 N -1.23 3.85 0.14 -0.62 0.52 -1.26 0.31 118.95 120.66 3kwf s ARG 382 Ca 0.18 0.44 0.01 0.00 -0.52 0.00 0.00 55.73 55.83 3kwf s ARG 382 Cb -0.12 -3.77 -0.04 0.00 0.52 0.00 0.00 34.95 31.53 3kwf s ARG 382 CO 0.07 -0.78 0.01 -1.01 0.02 0.00 0.00 175.30 173.60 3kwf s HIS 383 N 3.06 1.00 -0.09 -0.53 3.76 0.10 -1.31 115.29 121.28 3kwf s HIS 383 Ca 0.32 -1.08 -0.30 0.00 -0.15 0.00 0.00 55.06 53.86 3kwf s HIS 383 Cb -0.13 -0.58 -0.03 0.00 1.11 0.00 0.00 32.58 32.95 3kwf s HIS 383 CO 0.15 -0.32 1.23 0.42 -0.85 0.00 0.00 174.74 175.37 3kwf s ILE 384 N -3.80 4.25 0.03 0.60 1.01 -1.26 -0.95 121.20 121.08 3kwf s ILE 384 Ca 0.21 1.55 0.01 0.00 0.00 0.00 0.00 60.65 62.42 3kwf s ILE 384 Cb 0.07 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 3kwf s ILE 384 CO 0.01 -0.05 0.08 0.00 0.00 0.00 0.00 174.94 174.98 3kwf s TYR 386 N -1.29 3.06 -0.12 0.00 5.04 0.20 -1.79 117.35 122.45 3kwf s TYR 386 Ca 0.26 -0.39 0.02 0.00 -2.44 0.00 0.00 57.07 54.52 3kwf s TYR 386 Cb -0.12 -2.07 -0.01 0.00 0.35 0.00 0.00 41.96 40.11 3kwf s TYR 386 CO 0.18 -0.19 -0.18 -0.06 -1.34 0.00 0.00 175.55 173.96 3kwf s PHE 387 N 0.90 2.69 -0.10 4.97 0.40 0.17 -0.40 117.98 126.61 3kwf s PHE 387 Ca 0.01 -0.89 -0.04 0.00 -0.60 0.00 0.00 56.93 55.41 3kwf s PHE 387 Cb -0.14 -1.79 -0.04 0.00 0.51 0.00 0.00 43.02 41.56 3kwf s PHE 387 CO 0.02 -0.34 0.06 -0.65 0.70 0.00 0.00 175.22 175.00 3kwf s GLN 388 N 0.41 3.18 0.19 0.44 -0.21 -1.26 -1.02 119.66 121.40 3kwf s GLN 388 Ca -0.14 -0.29 -0.08 0.00 0.02 0.00 0.00 55.36 54.87 3kwf s GLN 388 Cb -0.17 -2.96 0.10 0.00 1.00 0.00 0.00 33.01 30.99 3kwf s GLN 388 CO 0.06 0.73 1.65 0.82 -2.12 0.00 0.00 175.29 176.43 3kwf h ILE 389 N 4.10 1.26 -0.64 1.08 2.04 -1.65 -2.51 117.51 121.19 3kwf h ILE 389 Ca -0.52 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.18 3kwf h ILE 389 Cb 1.21 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 3kwf h ILE 389 CO 0.56 0.42 0.00 0.47 0.00 0.00 0.00 178.15 179.60 3kwf n ASP 390 N -4.18 3.62 -4.71 1.72 8.00 -1.26 -4.34 116.55 115.41 3kwf n ASP 390 Ca 0.03 -1.99 -0.33 0.00 0.71 0.00 0.00 54.79 53.20 3kwf n ASP 390 Cb 0.35 -0.43 -0.08 0.00 -0.02 0.00 0.00 41.12 40.94 3kwf n ASP 390 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3kwf s LYS 391 N -1.15 2.88 0.84 -1.24 -0.14 -0.95 -4.93 119.74 115.06 3kwf s LYS 391 Ca 0.45 -0.55 -0.11 0.00 -1.36 0.00 0.00 55.97 54.40 3kwf s LYS 391 Cb 0.24 -2.73 0.09 0.00 -1.68 0.00 0.00 37.83 33.75 3kwf s LYS 391 CO 0.31 0.64 1.09 -1.59 -0.76 0.00 0.00 175.35 175.05 3kwf s LYS 392 N -1.50 1.73 2.04 1.68 -2.85 -1.26 -4.69 119.74 114.89 3kwf s LYS 392 Ca 0.19 1.07 0.00 0.00 -1.00 0.00 0.00 55.97 56.23 3kwf s LYS 392 Cb -0.12 -1.84 0.00 0.00 -2.06 0.00 0.00 37.83 33.81 3kwf s LYS 392 CO 0.10 -1.99 0.00 -0.25 0.10 0.00 0.00 175.35 173.31 3kwf n ASP 393 N -3.74 -4.81 -3.78 0.03 8.00 -1.26 -4.93 116.55 106.06 3kwf n ASP 393 Ca 0.08 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.49 3kwf n ASP 393 Cb 0.54 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 3kwf n ASP 393 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kwf s THR 395 N -3.89 3.37 -0.03 0.00 2.01 0.47 -4.83 115.64 112.74 3kwf s THR 395 Ca 0.11 -0.59 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 3kwf s THR 395 Cb -0.02 -2.59 -0.06 0.00 0.01 0.00 0.00 72.50 69.84 3kwf s THR 395 CO 0.01 0.35 1.67 -0.36 -0.69 0.00 0.00 174.62 175.60 3kwf s PHE 396 N 1.46 1.99 -0.56 4.92 0.08 -1.26 0.61 117.98 125.22 3kwf s PHE 396 Ca 0.05 0.17 0.22 0.00 0.12 0.00 0.00 56.93 57.48 3kwf s PHE 396 Cb -0.15 -3.94 -0.12 0.00 -0.57 0.00 0.00 43.02 38.24 3kwf s PHE 396 CO -0.03 -3.97 0.86 0.44 -0.10 0.00 0.00 175.22 172.42 3kwf n ILE 397 N 5.37 0.09 -4.27 0.64 -5.35 -0.06 -4.92 119.36 110.85 3kwf n ILE 397 Ca 0.17 -0.25 -0.21 0.00 -0.27 0.00 0.00 62.75 62.20 3kwf n ILE 397 Cb 0.42 0.35 -0.11 0.00 -1.74 0.00 0.00 39.64 38.56 3kwf n ILE 397 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3kwf s THR 398 N -3.23 1.55 0.28 7.28 -4.23 -1.24 -4.82 115.64 111.23 3kwf s THR 398 Ca 0.02 -1.71 -0.14 0.00 -1.18 0.00 0.00 61.69 58.68 3kwf s THR 398 Cb 0.15 -1.60 0.01 0.00 1.34 0.00 0.00 72.50 72.39 3kwf s THR 398 CO 0.84 -0.29 0.57 -1.59 -0.54 0.00 0.00 174.62 173.62 3kwf s LYS 399 N -2.47 1.72 0.00 3.99 -2.85 -1.26 -4.58 119.74 114.29 3kwf s LYS 399 Ca 0.10 -1.25 0.00 0.00 -1.00 0.00 0.00 55.97 53.81 3kwf s LYS 399 Cb -0.07 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.22 3kwf s LYS 399 CO 0.04 -0.74 0.00 0.41 0.10 0.00 0.00 175.35 175.16 3kwf n GLY 400 N -0.43 2.75 2.50 0.59 0.00 -1.26 -4.90 105.19 104.43 3kwf n GLY 400 Ca -0.03 -1.98 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 3kwf n GLY 400 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kwf n THR 401 N -1.43 4.90 -3.86 2.61 -1.04 -1.26 -4.78 114.28 109.42 3kwf n THR 401 Ca 0.00 -3.95 -0.04 0.00 -2.04 0.00 0.00 64.05 58.01 3kwf n THR 401 Cb 0.00 -2.23 0.02 0.00 -1.82 0.00 0.00 70.33 66.30 3kwf n THR 401 CO 0.00 0.00 0.00 -1.66 -0.64 0.00 0.00 175.07 172.77 3kwf s TRP 402 N -0.19 0.07 -0.01 -1.42 1.48 -1.26 -5.05 118.94 112.56 3kwf s TRP 402 Ca 0.55 -0.52 0.03 0.00 -1.06 0.00 0.00 56.10 55.09 3kwf s TRP 402 Cb 0.17 0.73 -0.01 0.00 -1.16 0.00 0.00 33.47 33.20 3kwf s TRP 402 CO -0.08 -1.06 -0.09 -1.21 -4.06 0.00 0.00 176.95 170.46 3kwf s GLU 403 N -2.27 0.69 -0.00 3.25 2.02 -1.26 -4.40 118.70 116.73 3kwf s GLU 403 Ca 0.20 -0.32 -0.30 0.00 0.02 0.00 0.00 54.97 54.57 3kwf s GLU 403 Cb -0.03 -0.67 -0.04 0.00 0.10 0.00 0.00 34.13 33.49 3kwf s GLU 403 CO 0.06 0.18 1.21 0.08 0.02 0.00 0.00 175.26 176.81 3kwf s VAL 404 N -0.22 4.15 -0.05 2.63 1.01 -0.42 -2.60 120.40 124.89 3kwf s VAL 404 Ca 0.03 1.51 -0.19 0.00 0.00 0.00 0.00 61.98 63.33 3kwf s VAL 404 Cb -0.03 -3.97 -0.31 0.00 0.00 0.00 0.00 36.38 32.07 3kwf s VAL 404 CO -0.00 0.05 0.81 0.40 0.00 0.00 0.00 175.10 176.36 3kwf h ILE 405 N 4.79 1.34 -2.30 2.22 1.08 0.55 -3.45 117.51 121.74 3kwf h ILE 405 Ca -0.38 -2.52 -0.01 0.00 -0.39 0.00 0.00 64.86 61.56 3kwf h ILE 405 Cb 1.19 3.04 -0.17 0.00 -3.07 0.00 0.00 36.82 37.81 3kwf h ILE 405 CO 0.85 0.73 0.27 -0.83 -0.69 0.00 0.00 178.15 178.47 3kwf s GLY 406 N -4.61 -0.55 -0.11 5.37 0.00 -1.08 -4.99 107.32 101.36 3kwf s GLY 406 Ca -0.15 1.10 -0.17 0.00 0.00 0.00 0.00 44.72 45.50 3kwf s GLY 406 CO 0.83 0.65 0.44 -0.42 0.00 0.00 0.00 173.10 174.60 3kwf s ILE 407 N -2.20 5.18 -0.04 0.90 1.01 -1.26 -0.56 121.20 124.24 3kwf s ILE 407 Ca -0.05 0.88 0.08 0.00 0.00 0.00 0.00 60.65 61.57 3kwf s ILE 407 Cb -0.00 -3.78 -0.12 0.00 0.01 0.00 0.00 42.46 38.57 3kwf s ILE 407 CO -0.00 0.37 0.13 -0.62 0.00 0.00 0.00 174.94 174.81 3kwf n GLU 408 N 3.42 1.19 -3.60 2.79 -0.58 0.16 -4.96 120.64 119.06 3kwf n GLU 408 Ca -0.09 -0.05 -0.09 0.00 -0.42 0.00 0.00 57.16 56.51 3kwf n GLU 408 Cb 0.52 -1.20 -0.06 0.00 -0.57 0.00 0.00 31.44 30.13 3kwf n GLU 408 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kwf s ALA 409 N -2.44 -1.97 -0.07 0.62 0.00 -1.07 -4.80 121.76 112.03 3kwf s ALA 409 Ca -0.03 1.70 0.01 0.00 0.00 0.00 0.00 51.96 53.63 3kwf s ALA 409 Cb 0.04 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 22.15 3kwf s ALA 409 CO 0.34 -0.27 -0.07 -1.17 0.00 0.00 0.00 175.76 174.59 3kwf s LEU 410 N -0.62 1.30 0.51 0.00 0.20 -1.26 0.25 118.68 119.06 3kwf s LEU 410 Ca 0.01 -0.22 0.01 0.00 0.69 0.00 0.00 54.13 54.61 3kwf s LEU 410 Cb -0.02 -0.67 -0.01 0.00 -0.43 0.00 0.00 46.19 45.06 3kwf s LEU 410 CO -0.02 -0.06 0.02 0.42 -0.29 0.00 0.00 176.35 176.42 3kwf s THR 411 N 1.17 0.96 0.38 3.68 -4.23 0.84 -4.97 115.64 113.47 3kwf s THR 411 Ca -0.06 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.55 3kwf s THR 411 Cb -0.14 -2.09 0.14 0.00 1.34 0.00 0.00 72.50 71.75 3kwf s THR 411 CO -0.02 0.00 1.89 0.77 -0.54 0.00 0.00 174.62 176.73 3kwf h SER 412 N 1.37 0.20 0.00 3.99 4.64 -2.01 -3.28 113.55 118.46 3kwf h SER 412 Ca -0.42 -0.05 -0.18 0.00 -0.47 0.00 0.00 61.79 60.67 3kwf h SER 412 Cb 1.32 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.32 3kwf h SER 412 CO 0.70 0.40 -2.15 0.47 -0.87 0.00 0.00 176.83 175.38 3kwf n ASP 413 N -4.24 0.22 -3.91 4.97 8.00 -1.26 -4.88 116.55 115.46 3kwf n ASP 413 Ca -0.01 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.38 3kwf n ASP 413 Cb 0.30 1.44 -0.12 0.00 -0.02 0.00 0.00 41.12 42.72 3kwf n ASP 413 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kwf s TYR 414 N -2.94 0.08 -0.14 1.24 1.51 -1.24 -1.47 117.35 114.39 3kwf s TYR 414 Ca -0.09 -0.16 -0.04 0.00 -1.01 0.00 0.00 57.07 55.77 3kwf s TYR 414 Cb 0.09 -0.07 -0.03 0.00 -0.11 0.00 0.00 41.96 41.84 3kwf s TYR 414 CO 0.83 -0.12 -0.02 -1.17 -1.11 0.00 0.00 175.55 173.96 3kwf s LEU 415 N -0.70 3.37 -0.16 -1.29 0.20 -0.91 -0.12 118.68 119.07 3kwf s LEU 415 Ca -0.08 -0.05 -0.04 0.00 0.69 0.00 0.00 54.13 54.66 3kwf s LEU 415 Cb -0.05 -1.81 -0.03 0.00 -0.43 0.00 0.00 46.19 43.88 3kwf s LEU 415 CO -0.00 0.22 -0.04 -0.31 -0.29 0.00 0.00 176.35 175.93 3kwf s TYR 416 N 0.09 3.01 0.12 5.38 1.51 0.14 -1.41 117.35 126.19 3kwf s TYR 416 Ca 0.01 -0.36 -0.03 0.00 -1.01 0.00 0.00 57.07 55.68 3kwf s TYR 416 Cb -0.13 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 39.71 3kwf s TYR 416 CO 0.02 -0.09 0.08 1.52 -1.11 0.00 0.00 175.55 175.97 3kwf s TYR 417 N 0.50 0.70 -0.13 2.71 1.13 -1.07 0.39 117.35 121.58 3kwf s TYR 417 Ca -0.03 -1.11 -0.01 0.00 -1.41 0.00 0.00 57.07 54.51 3kwf s TYR 417 Cb -0.14 -0.38 -0.02 0.00 -1.10 0.00 0.00 41.96 40.31 3kwf s TYR 417 CO 0.03 -0.53 -0.09 0.42 -2.51 0.00 0.00 175.55 172.87 3kwf s ILE 418 N -4.01 3.40 0.23 -3.49 1.01 0.28 -0.61 121.20 118.02 3kwf s ILE 418 Ca 0.19 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.31 3kwf s ILE 418 Cb 0.07 -2.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 3kwf s ILE 418 CO -0.01 0.52 0.08 -0.94 0.00 0.00 0.00 174.94 174.59 3kwf s SER 419 N 0.24 1.05 -0.39 3.58 1.04 -0.89 0.12 113.70 118.45 3kwf s SER 419 Ca -0.06 -1.34 0.06 0.00 0.48 0.00 0.00 55.95 55.09 3kwf s SER 419 Cb -0.15 0.18 0.64 0.00 0.10 0.00 0.00 66.02 66.79 3kwf s SER 419 CO 0.04 -0.71 1.78 -0.46 0.98 0.00 0.00 173.24 174.87 3kwf n ASN 420 N -0.38 3.56 -0.27 7.02 2.04 -1.07 -1.63 115.26 124.52 3kwf n ASN 420 Ca -0.01 -3.60 -0.06 0.00 -0.44 0.00 0.00 54.58 50.47 3kwf n ASN 420 Cb 0.66 -0.77 0.06 0.00 -2.53 0.00 0.00 39.78 37.19 3kwf n ASN 420 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 3kwf h GLU 421 N 1.23 1.12 -6.54 -3.83 4.81 -1.84 -3.33 114.58 106.19 3kwf h GLU 421 Ca 0.47 -0.20 -0.54 0.00 -0.13 0.00 0.00 59.36 58.97 3kwf h GLU 421 Cb 2.47 -0.18 0.05 0.00 0.63 0.00 0.00 28.75 31.71 3kwf h GLU 421 CO 0.86 0.91 1.06 0.98 -0.73 0.00 0.00 179.01 182.09 3kwf n TYR 422 N -4.33 2.62 -1.85 0.92 9.36 -1.26 -1.58 117.16 121.04 3kwf n TYR 422 Ca 0.06 -0.06 -0.18 0.00 3.32 0.00 0.00 57.90 61.05 3kwf n TYR 422 Cb 0.18 -2.70 -0.05 0.00 -0.63 0.00 0.00 39.34 36.14 3kwf n TYR 422 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3kwf n LYS 423 N 5.01 -1.58 -2.58 2.98 5.02 -1.26 -2.28 118.16 123.48 3kwf n LYS 423 Ca 0.18 0.97 -0.14 0.00 -2.02 0.00 0.00 58.31 57.30 3kwf n LYS 423 Cb 0.36 -5.41 -0.00 0.00 -0.02 0.00 0.00 35.03 29.95 3kwf n LYS 423 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kwf n GLY 424 N -0.56 -0.50 3.39 0.72 0.00 -0.62 -4.95 105.19 102.68 3kwf n GLY 424 Ca -0.19 0.02 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 3kwf n GLY 424 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kwf s MET 425 N -5.17 2.97 0.65 1.61 -1.94 -0.97 -4.97 119.30 111.48 3kwf s MET 425 Ca 0.06 -1.31 0.43 0.00 -1.71 0.00 0.00 55.69 53.16 3kwf s MET 425 Cb -0.03 -4.10 2.30 0.00 2.01 0.00 0.00 34.83 35.01 3kwf s MET 425 CO 0.07 -0.99 2.33 -1.35 -0.01 0.00 0.00 175.02 175.08 3kwf h PRO 426 N 8.73 0.00 -0.68 2.03 0.11 -1.89 -2.05 132.00 138.24 3kwf h PRO 426 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3kwf h PRO 426 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3kwf h PRO 426 CO 0.85 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.06 3kwf n GLY 427 N -0.96 2.32 3.75 -0.55 0.00 -1.26 -4.90 105.19 103.58 3kwf n GLY 427 Ca -0.03 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 3kwf n GLY 427 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kwf s GLY 428 N -0.96 1.64 -0.07 -0.02 0.00 -0.77 -1.41 107.32 105.73 3kwf s GLY 428 Ca 0.47 -1.36 -0.03 0.00 0.00 0.00 0.00 44.72 43.80 3kwf s GLY 428 CO 0.29 -1.39 0.14 0.50 0.00 0.00 0.00 173.10 172.64 3kwf s ARG 429 N -3.31 0.03 0.03 2.90 0.52 0.39 -4.14 118.95 115.37 3kwf s ARG 429 Ca 0.30 0.47 0.03 0.00 -0.52 0.00 0.00 55.73 56.01 3kwf s ARG 429 Cb -0.09 -0.27 -0.02 0.00 0.52 0.00 0.00 34.95 35.10 3kwf s ARG 429 CO 0.22 -0.26 -0.08 -0.80 0.02 0.00 0.00 175.30 174.39 3kwf s ASN 430 N 1.91 0.94 0.18 0.23 0.01 -0.64 -0.23 114.94 117.34 3kwf s ASN 430 Ca -0.01 -0.42 -0.30 0.00 -0.71 0.00 0.00 52.86 51.42 3kwf s ASN 430 Cb -0.12 -0.01 -0.07 0.00 0.41 0.00 0.00 41.25 41.45 3kwf s ASN 430 CO -0.05 -0.10 1.06 -0.22 -1.51 0.00 0.00 177.10 176.28 3kwf s LEU 431 N -1.15 4.51 0.29 0.60 0.20 -1.26 -2.09 118.68 119.78 3kwf s LEU 431 Ca -0.05 2.03 0.05 0.00 0.69 0.00 0.00 54.13 56.85 3kwf s LEU 431 Cb -0.08 -3.60 -0.06 0.00 -0.43 0.00 0.00 46.19 42.02 3kwf s LEU 431 CO 0.00 -0.15 -0.00 -0.31 -0.29 0.00 0.00 176.35 175.60 3kwf s TYR 432 N -0.33 1.87 -0.04 5.38 1.51 0.22 -1.39 117.35 124.57 3kwf s TYR 432 Ca 0.48 -0.84 -0.01 0.00 -1.01 0.00 0.00 57.07 55.69 3kwf s TYR 432 Cb -0.28 -1.14 0.03 0.00 -0.11 0.00 0.00 41.96 40.47 3kwf s TYR 432 CO 0.34 0.11 0.07 0.21 -1.11 0.00 0.00 175.55 175.17 3kwf s LYS 433 N -3.82 0.01 -0.12 -0.62 2.20 -0.36 -2.60 119.74 114.43 3kwf s LYS 433 Ca 0.32 0.26 0.02 0.00 -0.36 0.00 0.00 55.97 56.20 3kwf s LYS 433 Cb 0.06 -0.23 -0.00 0.00 -1.51 0.00 0.00 37.83 36.15 3kwf s LYS 433 CO 0.12 -0.17 -0.19 0.42 -0.36 0.00 0.00 175.35 175.18 3kwf s ILE 434 N 1.12 2.47 -0.32 5.43 1.01 -0.50 -1.23 121.20 129.17 3kwf s ILE 434 Ca -0.09 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.40 3kwf s ILE 434 Cb -0.12 -1.99 0.01 0.00 0.01 0.00 0.00 42.46 40.37 3kwf s ILE 434 CO -0.04 0.54 1.12 -1.58 0.00 0.00 0.00 174.94 174.98 3kwf s GLN 435 N 0.44 4.02 0.56 2.79 0.74 -1.06 -2.15 119.66 125.01 3kwf s GLN 435 Ca -0.14 1.09 0.34 0.00 0.05 0.00 0.00 55.36 56.70 3kwf s GLN 435 Cb -0.17 -3.77 1.57 0.00 1.10 0.00 0.00 33.01 31.74 3kwf s GLN 435 CO 0.06 -0.96 2.07 -0.07 -0.55 0.00 0.00 175.29 175.83 3kwf h LEU 436 N 10.29 0.00 -0.46 3.68 3.38 -1.60 -1.56 115.31 129.04 3kwf h LEU 436 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3kwf h LEU 436 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3kwf h LEU 436 CO 1.04 0.04 0.00 0.77 0.09 0.00 0.00 178.44 180.38 3kwf h SER 437 N 0.00 0.00 -1.27 -0.43 4.64 -1.91 -3.40 113.55 111.18 3kwf h SER 437 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3kwf h SER 437 Cb 0.40 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.26 3kwf h SER 437 CO 0.01 0.00 -0.48 -0.62 -0.87 0.00 0.00 176.83 174.86 3kwf s ASP 438 N -4.58 -0.82 0.50 4.97 -1.08 -0.59 -5.05 116.67 110.02 3kwf s ASP 438 Ca 0.07 -0.57 0.24 0.00 -0.52 0.00 0.00 52.55 51.77 3kwf s ASP 438 Cb 0.10 1.63 1.32 0.00 -1.46 0.00 0.00 42.92 44.51 3kwf s ASP 438 CO 0.50 -0.25 1.95 1.88 0.52 0.00 0.00 175.17 179.76 3kwf h TYR 439 N 7.49 0.14 0.00 -5.34 0.05 -1.79 -1.51 116.97 116.01 3kwf h TYR 439 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3kwf h TYR 439 Cb 1.15 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.85 3kwf h TYR 439 CO 0.23 0.05 0.00 0.25 -1.05 0.00 0.00 178.16 177.64 3kwf n THR 440 N -4.39 0.31 -3.34 -2.88 -2.24 -1.26 -4.36 114.28 96.13 3kwf n THR 440 Ca 0.13 0.08 -0.46 0.00 -2.27 0.00 0.00 64.05 61.53 3kwf n THR 440 Cb 0.67 -0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 68.10 3kwf n THR 440 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3kwf s LYS 441 N -2.37 3.84 -0.18 -0.78 1.02 -0.57 -5.02 119.74 115.68 3kwf s LYS 441 Ca 0.20 -2.79 -0.03 0.00 0.02 0.00 0.00 55.97 53.37 3kwf s LYS 441 Cb 0.12 -4.47 -0.02 0.00 -0.52 0.00 0.00 37.83 32.94 3kwf s LYS 441 CO 0.25 -1.27 -0.04 0.08 -0.92 0.00 0.00 175.35 173.44 3kwf s VAL 442 N -0.45 3.61 -0.18 3.17 1.01 -1.26 -2.55 120.40 123.75 3kwf s VAL 442 Ca 0.23 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 3kwf s VAL 442 Cb -0.10 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 3kwf s VAL 442 CO -0.09 0.46 0.09 -0.89 0.00 0.00 0.00 175.10 174.67 3kwf s THR 443 N 0.87 5.03 -0.15 3.92 2.01 -0.37 -4.94 115.64 122.01 3kwf s THR 443 Ca -0.01 0.05 -0.26 0.00 0.31 0.00 0.00 61.69 61.78 3kwf s THR 443 Cb -0.15 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 3kwf s THR 443 CO 0.01 0.48 0.86 0.00 -0.69 0.00 0.00 174.62 175.28 3kwf n LEU 445 N 5.09 0.63 0.00 0.00 4.77 -0.49 -4.52 117.00 122.49 3kwf n LEU 445 Ca 0.05 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3kwf n LEU 445 Cb 0.49 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3kwf n LEU 445 CO 0.49 -0.05 -0.37 -1.54 -1.33 0.00 0.00 177.39 174.59 3kwf n SER 446 N -2.26 3.67 -0.31 -1.43 3.41 -1.25 -4.80 113.62 110.65 3kwf n SER 446 Ca 0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.53 3kwf n SER 446 Cb 0.49 0.65 -0.08 0.00 -0.26 0.00 0.00 64.21 65.01 3kwf n SER 446 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kwf n GLU 448 N -4.77 1.82 -0.34 0.00 -0.58 -1.26 -4.20 120.64 111.31 3kwf n GLU 448 Ca 0.01 -1.23 -0.01 0.00 -0.42 0.00 0.00 57.16 55.51 3kwf n GLU 448 Cb 0.21 -1.43 0.12 0.00 -0.57 0.00 0.00 31.44 29.77 3kwf n GLU 448 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3kwf h LEU 449 N 2.59 1.01 -5.00 -4.62 3.38 -1.74 -3.39 115.31 107.54 3kwf h LEU 449 Ca 0.00 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 3kwf h LEU 449 Cb 0.56 -0.23 -0.14 0.00 0.09 0.00 0.00 40.66 40.94 3kwf h LEU 449 CO 0.00 0.70 -0.32 -3.20 0.09 0.00 0.00 178.44 175.72 3kwf n ASN 450 N -4.49 -2.32 0.23 -0.43 2.85 -1.26 -5.08 115.26 104.76 3kwf n ASN 450 Ca 0.12 -2.61 0.07 0.00 -0.11 0.00 0.00 54.58 52.05 3kwf n ASN 450 Cb 0.08 1.38 0.54 0.00 1.24 0.00 0.00 39.78 43.01 3kwf n ASN 450 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3kwf h PRO 451 N 3.81 0.00 0.07 1.20 0.13 -1.77 0.20 132.00 135.65 3kwf h PRO 451 Ca -0.15 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.73 3kwf h PRO 451 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3kwf h PRO 451 CO 0.10 0.22 -1.11 0.93 -0.23 0.00 0.00 178.00 177.91 3kwf h GLU 452 N 0.00 0.32 0.00 0.86 3.07 -1.97 -3.34 114.58 113.51 3kwf h GLU 452 Ca -0.00 -0.44 -0.22 0.00 -0.50 0.00 0.00 59.36 58.19 3kwf h GLU 452 Cb 0.44 0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 28.46 3kwf h GLU 452 CO 0.03 1.16 -1.49 -0.09 -1.40 0.00 0.00 179.01 177.22 3kwf h ARG 453 N 0.13 0.00 -3.97 2.33 2.43 -1.82 -3.42 114.38 110.06 3kwf h ARG 453 Ca -0.11 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.49 3kwf h ARG 453 Cb 1.79 0.00 -0.39 0.00 -0.42 0.00 0.00 29.97 30.95 3kwf h ARG 453 CO 0.18 0.43 -0.77 0.00 -1.51 0.00 0.00 179.97 178.30 3kwf n GLN 455 N 4.83 0.59 -3.73 0.00 6.02 0.22 -4.43 117.38 120.88 3kwf n GLN 455 Ca -0.09 -0.14 -0.28 0.00 -0.01 0.00 0.00 57.00 56.47 3kwf n GLN 455 Cb 0.45 -0.55 -0.16 0.00 1.02 0.00 0.00 30.24 30.99 3kwf n GLN 455 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3kwf s TYR 456 N -0.12 1.07 0.13 1.08 6.14 -1.13 -0.46 117.35 124.06 3kwf s TYR 456 Ca 0.00 -0.93 0.10 0.00 0.64 0.00 0.00 57.07 56.88 3kwf s TYR 456 Cb 0.00 -1.08 -0.04 0.00 0.42 0.00 0.00 41.96 41.26 3kwf s TYR 456 CO 0.00 -0.64 -0.20 0.71 0.64 0.00 0.00 175.55 176.06 3kwf s TYR 457 N 1.84 2.46 0.27 4.97 2.02 0.68 -1.22 117.35 128.39 3kwf s TYR 457 Ca 0.00 -0.30 0.03 0.00 -0.37 0.00 0.00 57.07 56.43 3kwf s TYR 457 Cb -0.17 -1.29 -0.06 0.00 -0.40 0.00 0.00 41.96 40.04 3kwf s TYR 457 CO -0.10 0.40 0.04 -1.54 -1.57 0.00 0.00 175.55 172.78 3kwf s SER 458 N -2.25 1.87 0.01 2.29 1.04 -0.20 -4.67 113.70 111.78 3kwf s SER 458 Ca 0.18 -1.32 -0.05 0.00 0.48 0.00 0.00 55.95 55.24 3kwf s SER 458 Cb -0.10 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 3kwf s SER 458 CO 0.09 -0.60 0.08 0.54 0.98 0.00 0.00 173.24 174.34 3kwf s VAL 459 N -3.46 0.09 -0.19 5.02 0.11 -1.26 -1.20 120.40 119.51 3kwf s VAL 459 Ca 0.34 -0.75 -0.02 0.00 -2.93 0.00 0.00 61.98 58.62 3kwf s VAL 459 Cb 0.07 -0.37 0.06 0.00 -1.53 0.00 0.00 36.38 34.61 3kwf s VAL 459 CO 0.13 -0.41 0.01 -0.55 -3.33 0.00 0.00 175.10 170.95 3kwf s SER 460 N -1.39 2.95 0.18 3.54 0.15 -0.66 -4.99 113.70 113.49 3kwf s SER 460 Ca -0.15 -0.81 -0.14 0.00 0.70 0.00 0.00 55.95 55.55 3kwf s SER 460 Cb -0.08 -0.70 -0.07 0.00 -1.71 0.00 0.00 66.02 63.45 3kwf s SER 460 CO 0.01 -0.28 0.58 -0.36 1.20 0.00 0.00 173.24 174.39 3kwf s PHE 461 N 1.77 3.57 0.92 3.44 0.08 -1.26 -0.88 117.98 125.62 3kwf s PHE 461 Ca -0.01 1.08 -0.11 0.00 0.12 0.00 0.00 56.93 58.01 3kwf s PHE 461 Cb -0.17 -2.39 0.14 0.00 -0.57 0.00 0.00 43.02 40.03 3kwf s PHE 461 CO -0.07 0.38 1.09 -1.54 -0.10 0.00 0.00 175.22 174.98 3kwf s SER 462 N -1.83 3.19 0.35 1.36 1.04 -0.51 -4.88 113.70 112.42 3kwf s SER 462 Ca 0.41 1.68 -0.27 0.00 0.48 0.00 0.00 55.95 58.24 3kwf s SER 462 Cb -0.14 -2.32 -0.12 0.00 0.10 0.00 0.00 66.02 63.53 3kwf s SER 462 CO 0.20 -2.84 1.09 0.29 0.98 0.00 0.00 173.24 172.95 3kwf n LYS 463 N -4.03 1.58 -0.45 4.02 4.01 -1.16 -0.08 118.16 122.04 3kwf n LYS 463 Ca 0.08 0.56 0.00 0.00 -0.51 0.00 0.00 58.31 58.43 3kwf n LYS 463 Cb 0.54 -2.05 0.00 0.00 -0.51 0.00 0.00 35.03 33.01 3kwf n LYS 463 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3kwf n GLU 464 N 0.49 0.00 -2.31 1.97 1.02 -1.26 -3.94 120.64 116.60 3kwf n GLU 464 Ca 0.08 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 57.02 3kwf n GLU 464 Cb 0.35 -4.37 -0.02 0.00 -0.02 0.00 0.00 31.44 27.39 3kwf n GLU 464 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kwf n ALA 465 N 1.00 -0.56 0.21 0.62 0.00 0.88 -4.88 120.51 117.78 3kwf n ALA 465 Ca 0.00 0.17 0.07 0.00 0.00 0.00 0.00 53.44 53.68 3kwf n ALA 465 Cb 0.00 -2.10 0.57 0.00 0.00 0.00 0.00 19.45 17.92 3kwf n ALA 465 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kwf h LYS 466 N 0.00 0.08 -4.87 0.00 1.79 -1.77 -3.42 116.57 108.37 3kwf h LYS 466 Ca -0.46 -0.01 -0.30 0.00 -2.18 0.00 0.00 60.65 57.70 3kwf h LYS 466 Cb 1.34 -0.02 -0.17 0.00 -1.58 0.00 0.00 32.23 31.81 3kwf h LYS 466 CO 0.56 0.10 -0.72 0.71 -1.08 0.00 0.00 179.45 179.02 3kwf s TYR 467 N -5.01 1.01 0.00 -1.35 2.02 -1.26 -0.46 117.35 112.30 3kwf s TYR 467 Ca -0.05 -0.70 0.01 0.00 -0.37 0.00 0.00 57.07 55.95 3kwf s TYR 467 Cb 0.17 -0.56 -0.01 0.00 -0.40 0.00 0.00 41.96 41.17 3kwf s TYR 467 CO 0.69 -0.03 -0.03 1.52 -1.57 0.00 0.00 175.55 176.13 3kwf s TYR 468 N -2.66 0.23 -0.27 2.71 1.13 -0.53 -1.43 117.35 116.54 3kwf s TYR 468 Ca 0.06 -0.12 -0.19 0.00 -1.41 0.00 0.00 57.07 55.41 3kwf s TYR 468 Cb -0.01 -0.15 -0.02 0.00 -1.10 0.00 0.00 41.96 40.67 3kwf s TYR 468 CO -0.01 -0.03 0.56 -1.14 -2.51 0.00 0.00 175.55 172.43 3kwf s GLN 469 N -0.30 4.03 -0.06 -3.49 0.74 -0.06 -0.75 119.66 119.76 3kwf s GLN 469 Ca -0.02 0.35 -0.16 0.00 0.05 0.00 0.00 55.36 55.59 3kwf s GLN 469 Cb -0.02 -3.67 -0.05 0.00 1.10 0.00 0.00 33.01 30.36 3kwf s GLN 469 CO -0.00 -0.42 0.41 -0.51 -0.55 0.00 0.00 175.29 174.22 3kwf s LEU 470 N 2.42 4.37 -0.12 3.68 1.43 0.27 -1.65 118.68 129.08 3kwf s LEU 470 Ca 0.23 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.17 3kwf s LEU 470 Cb -0.15 -2.58 0.02 0.00 0.03 0.00 0.00 46.19 43.51 3kwf s LEU 470 CO 0.10 0.19 -0.11 0.00 0.23 0.00 0.00 176.35 176.75 3kwf s ARG 471 N -0.29 1.92 -0.03 1.70 1.70 -0.34 -1.01 118.95 122.59 3kwf s ARG 471 Ca 0.23 -0.42 -0.03 0.00 -0.47 0.00 0.00 55.73 55.04 3kwf s ARG 471 Cb -0.16 -1.81 -0.04 0.00 -0.57 0.00 0.00 34.95 32.37 3kwf s ARG 471 CO 0.11 -0.22 0.15 0.00 -1.08 0.00 0.00 175.30 174.26 3kwf n SER 473 N 1.22 0.97 0.00 0.00 7.64 -0.35 -1.94 113.62 121.16 3kwf n SER 473 Ca -0.13 -0.98 0.00 0.00 1.01 0.00 0.00 58.87 58.76 3kwf n SER 473 Cb 0.53 0.41 0.00 0.00 -1.01 0.00 0.00 64.21 64.14 3kwf n SER 473 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kwf n GLY 474 N 0.65 0.38 0.22 0.23 0.00 -1.26 -0.36 105.19 105.05 3kwf n GLY 474 Ca 0.02 -1.15 0.08 0.00 0.00 0.00 0.00 46.02 44.98 3kwf n GLY 474 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kwf h PRO 475 N 0.00 0.00 0.00 1.61 0.11 -1.00 0.64 132.00 133.37 3kwf h PRO 475 Ca 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 3kwf h PRO 475 Cb 0.00 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.14 3kwf h PRO 475 CO 0.00 0.24 0.07 0.41 -0.21 0.00 0.00 178.00 178.51 3kwf n GLY 476 N -0.36 -1.29 3.77 -0.55 0.00 -0.18 -4.36 105.19 102.22 3kwf n GLY 476 Ca -0.01 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 3kwf n GLY 476 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kwf s LEU 477 N 0.00 4.25 0.35 0.99 1.43 -1.26 -4.58 118.68 119.86 3kwf s LEU 477 Ca 0.14 2.90 -0.26 0.00 -1.03 0.00 0.00 54.13 55.87 3kwf s LEU 477 Cb -0.00 -3.79 -0.12 0.00 0.03 0.00 0.00 46.19 42.31 3kwf s LEU 477 CO 0.10 -0.92 1.06 -2.65 0.23 0.00 0.00 176.35 174.17 3kwf n PRO 478 N 0.25 1.49 -3.80 1.29 -0.02 -1.26 -4.75 135.00 128.20 3kwf n PRO 478 Ca 0.03 0.53 -0.18 0.00 -2.02 0.00 0.00 63.50 61.85 3kwf n PRO 478 Cb 0.41 -2.01 -0.17 0.00 -0.02 0.00 0.00 33.50 31.71 3kwf n PRO 478 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kwf s LEU 479 N -0.20 0.78 -0.19 2.45 0.20 -0.82 -4.18 118.68 116.72 3kwf s LEU 479 Ca 0.60 0.01 -0.03 0.00 0.69 0.00 0.00 54.13 55.40 3kwf s LEU 479 Cb -0.62 -0.19 -0.01 0.00 -0.43 0.00 0.00 46.19 44.94 3kwf s LEU 479 CO 0.59 -0.16 -0.06 -0.31 -0.29 0.00 0.00 176.35 176.12 3kwf s TYR 480 N 1.47 2.94 0.06 5.38 1.51 -0.04 -1.52 117.35 127.15 3kwf s TYR 480 Ca -0.04 -0.78 0.02 0.00 -1.01 0.00 0.00 57.07 55.27 3kwf s TYR 480 Cb -0.13 -2.04 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 3kwf s TYR 480 CO -0.03 -0.41 -0.08 0.95 -1.11 0.00 0.00 175.55 174.88 3kwf s THR 481 N 1.10 0.62 -0.07 -0.71 -4.23 -0.18 0.32 115.64 112.49 3kwf s THR 481 Ca 0.01 -1.32 0.01 0.00 -1.18 0.00 0.00 61.69 59.21 3kwf s THR 481 Cb -0.15 -0.92 -0.03 0.00 1.34 0.00 0.00 72.50 72.74 3kwf s THR 481 CO -0.01 -0.50 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.26 3kwf s LEU 482 N -1.98 3.04 0.10 4.79 0.20 -0.44 -0.56 118.68 123.83 3kwf s LEU 482 Ca -0.04 -0.09 0.03 0.00 0.69 0.00 0.00 54.13 54.73 3kwf s LEU 482 Cb -0.06 -1.66 -0.04 0.00 -0.43 0.00 0.00 46.19 44.00 3kwf s LEU 482 CO -0.01 0.33 -0.09 -1.00 -0.29 0.00 0.00 176.35 175.29 3kwf s HIS 483 N -0.63 1.03 -0.07 5.38 3.76 0.07 -0.50 115.29 124.33 3kwf s HIS 483 Ca 0.09 -0.71 0.00 0.00 -0.15 0.00 0.00 55.06 54.30 3kwf s HIS 483 Cb -0.11 -0.56 -0.03 0.00 1.11 0.00 0.00 32.58 32.98 3kwf s HIS 483 CO 0.02 -0.02 -0.06 -1.54 -0.85 0.00 0.00 174.74 172.28 3kwf s SER 484 N -2.59 4.74 0.41 1.40 1.04 -0.59 -1.45 113.70 116.66 3kwf s SER 484 Ca 0.07 -0.00 0.22 0.00 0.48 0.00 0.00 55.95 56.72 3kwf s SER 484 Cb -0.01 -1.24 0.65 0.00 0.10 0.00 0.00 66.02 65.51 3kwf s SER 484 CO -0.01 0.36 1.71 0.28 0.98 0.00 0.00 173.24 176.56 3kwf h SER 485 N 5.30 0.00 -0.14 7.02 0.02 -1.01 -1.59 113.55 123.15 3kwf h SER 485 Ca -0.48 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.49 3kwf h SER 485 Cb 1.18 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 3kwf h SER 485 CO 0.53 0.25 -0.26 0.58 -1.14 0.00 0.00 176.83 176.79 3kwf h VAL 486 N 0.00 0.00 -0.11 2.27 2.07 -1.92 -3.27 116.25 115.30 3kwf h VAL 486 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3kwf h VAL 486 Cb 0.93 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3kwf h VAL 486 CO 0.03 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.21 3kwf n ASN 487 N -3.95 2.36 -3.61 0.57 4.13 -1.25 -4.97 115.26 108.54 3kwf n ASN 487 Ca -0.02 -2.14 -0.26 0.00 1.68 0.00 0.00 54.58 53.84 3kwf n ASN 487 Cb 0.17 -0.12 0.06 0.00 -1.54 0.00 0.00 39.78 38.34 3kwf n ASN 487 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3kwf n ASP 488 N -0.30 -5.87 -4.74 6.41 10.43 -0.61 -4.97 116.55 116.90 3kwf n ASP 488 Ca 0.05 -0.57 -0.40 0.00 2.57 0.00 0.00 54.79 56.44 3kwf n ASP 488 Cb 0.36 -4.65 -0.05 0.00 1.84 0.00 0.00 41.12 38.62 3kwf n ASP 488 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 3kwf s LYS 489 N -6.32 4.50 0.18 -1.24 2.20 -1.12 -4.84 119.74 113.10 3kwf s LYS 489 Ca 0.57 1.07 -0.30 0.00 -0.36 0.00 0.00 55.97 56.95 3kwf s LYS 489 Cb -0.26 -3.38 -0.09 0.00 -1.51 0.00 0.00 37.83 32.59 3kwf s LYS 489 CO 0.71 0.25 1.38 0.20 -0.36 0.00 0.00 175.35 177.53 3kwf s GLY 490 N 0.07 2.22 -0.25 5.54 0.00 -1.26 -1.54 107.32 112.10 3kwf s GLY 490 Ca 0.39 1.18 -0.01 0.00 0.00 0.00 0.00 44.72 46.28 3kwf s GLY 490 CO 0.23 2.24 -0.25 1.04 0.00 0.00 0.00 173.10 176.36 3kwf n LEU 491 N 3.03 2.75 -3.64 0.66 4.77 0.35 -4.94 117.00 119.98 3kwf n LEU 491 Ca 0.08 -0.04 -0.06 0.00 -0.03 0.00 0.00 56.01 55.96 3kwf n LEU 491 Cb 0.42 -0.85 -0.07 0.00 -2.33 0.00 0.00 43.42 40.59 3kwf n LEU 491 CO 0.59 0.84 0.82 -0.60 -1.33 0.00 0.00 177.39 177.71 3kwf s ARG 492 N -2.49 0.38 0.02 3.23 3.52 -1.21 -5.03 118.95 117.36 3kwf s ARG 492 Ca -0.34 0.49 -0.20 0.00 -0.13 0.00 0.00 55.73 55.54 3kwf s ARG 492 Cb 0.10 0.16 -0.06 0.00 -1.56 0.00 0.00 34.95 33.59 3kwf s ARG 492 CO 0.55 -0.05 0.59 0.08 -0.81 0.00 0.00 175.30 175.66 3kwf s VAL 493 N 0.43 4.85 -0.26 7.11 1.01 -1.26 -1.32 120.40 130.95 3kwf s VAL 493 Ca 0.01 1.24 -0.08 0.00 0.00 0.00 0.00 61.98 63.16 3kwf s VAL 493 Cb -0.05 -3.92 -0.13 0.00 0.00 0.00 0.00 36.38 32.28 3kwf s VAL 493 CO -0.10 0.46 -0.29 0.18 0.00 0.00 0.00 175.10 175.35 3kwf n LEU 494 N 2.39 2.26 -3.67 3.92 4.77 0.15 -4.94 117.00 121.88 3kwf n LEU 494 Ca -0.08 0.16 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 3kwf n LEU 494 Cb 0.51 -0.80 -0.10 0.00 -2.33 0.00 0.00 43.42 40.69 3kwf n LEU 494 CO 0.43 0.68 0.02 -0.70 -1.33 0.00 0.00 177.39 176.48 3kwf s GLU 495 N -2.48 0.32 0.00 3.23 2.56 -1.10 -4.99 118.70 116.24 3kwf s GLU 495 Ca -0.35 0.93 0.06 0.00 0.00 0.00 0.00 54.97 55.61 3kwf s GLU 495 Cb 0.12 0.18 0.16 0.00 2.00 0.00 0.00 34.13 36.60 3kwf s GLU 495 CO 0.50 -0.23 1.10 -0.40 -0.56 0.00 0.00 175.26 175.68 3kwf n ASP 496 N 5.04 2.44 -4.19 -1.70 5.75 -1.26 -0.86 116.55 121.76 3kwf n ASP 496 Ca -0.13 -1.93 -0.36 0.00 -0.01 0.00 0.00 54.79 52.36 3kwf n ASP 496 Cb 0.51 -0.12 -0.02 0.00 -1.03 0.00 0.00 41.12 40.46 3kwf n ASP 496 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3kwf n ASN 497 N 0.11 -3.52 0.09 -1.12 3.02 -1.26 -4.87 115.26 107.71 3kwf n ASN 497 Ca 0.06 -0.99 -0.05 0.00 -0.03 0.00 0.00 54.58 53.58 3kwf n ASN 497 Cb 0.33 -2.89 0.11 0.00 -0.61 0.00 0.00 39.78 36.73 3kwf n ASN 497 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3kwf h SER 498 N -1.56 0.26 -0.64 6.41 4.64 -1.94 -1.81 113.55 118.90 3kwf h SER 498 Ca -0.59 -0.15 0.06 0.00 -0.47 0.00 0.00 61.79 60.64 3kwf h SER 498 Cb 1.38 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 63.34 3kwf h SER 498 CO 0.77 0.82 0.34 0.00 -0.87 0.00 0.00 176.83 177.89 3kwf h ALA 499 N 1.19 0.86 -0.11 5.18 0.00 -2.00 -2.51 119.26 121.86 3kwf h ALA 499 Ca -0.01 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3kwf h ALA 499 Cb 1.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3kwf h ALA 499 CO 0.10 -0.00 -0.64 1.25 0.00 0.00 0.00 179.25 179.95 3kwf h LEU 500 N 0.62 0.49 -0.28 0.00 6.46 -1.83 -3.18 115.31 117.58 3kwf h LEU 500 Ca 0.29 -0.29 0.02 0.00 -0.12 0.00 0.00 57.88 57.78 3kwf h LEU 500 Cb 0.22 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 3kwf h LEU 500 CO -0.20 1.00 0.15 -0.78 -0.62 0.00 0.00 178.44 177.99 3kwf h ASP 501 N 0.31 0.24 -0.16 1.25 3.58 -1.02 -1.77 116.42 118.84 3kwf h ASP 501 Ca -0.01 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 3kwf h ASP 501 Cb 1.19 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.19 3kwf h ASP 501 CO 0.11 0.18 0.10 0.07 -2.88 0.00 0.00 179.24 176.82 3kwf h LYS 502 N 0.32 0.22 -0.26 0.28 2.10 -1.50 -1.63 116.57 116.10 3kwf h LYS 502 Ca 0.11 -0.02 0.06 0.00 -2.00 0.00 0.00 60.65 58.80 3kwf h LYS 502 Cb 0.02 -0.05 -0.06 0.00 -0.90 0.00 0.00 32.23 31.24 3kwf h LYS 502 CO -0.07 0.18 -0.11 0.52 -2.00 0.00 0.00 179.45 177.98 3kwf h MET 503 N 0.19 -0.07 0.00 0.07 2.86 -1.51 -2.44 114.93 114.03 3kwf h MET 503 Ca 0.06 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 3kwf h MET 503 Cb 0.02 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 3kwf h MET 503 CO -0.01 -0.05 -0.14 -0.07 1.06 0.00 0.00 176.91 177.70 3kwf h LEU 504 N -0.07 0.00 -2.08 1.22 3.38 -1.19 -1.05 115.31 115.52 3kwf h LEU 504 Ca 0.13 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.18 3kwf h LEU 504 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3kwf h LEU 504 CO -0.31 0.14 0.20 1.56 0.09 0.00 0.00 178.44 180.12 3kwf h GLN 505 N 0.00 0.00 -0.59 1.13 4.20 -0.79 -2.39 115.11 116.67 3kwf h GLN 505 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3kwf h GLN 505 Cb 0.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 3kwf h GLN 505 CO 0.02 0.00 0.01 -1.71 -0.67 0.00 0.00 178.83 176.48 3kwf n ASN 506 N -4.26 5.73 -4.07 1.46 5.15 -0.40 -4.84 115.26 114.04 3kwf n ASN 506 Ca 0.03 -2.95 -0.20 0.00 -0.60 0.00 0.00 54.58 50.86 3kwf n ASN 506 Cb 0.35 -0.69 -0.15 0.00 -0.53 0.00 0.00 39.78 38.76 3kwf n ASN 506 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3kwf s VAL 507 N -2.78 0.90 -1.09 3.44 1.01 -0.90 -4.08 120.40 116.90 3kwf s VAL 507 Ca 0.55 -0.53 -0.23 0.00 0.00 0.00 0.00 61.98 61.78 3kwf s VAL 507 Cb 0.42 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 3kwf s VAL 507 CO 0.16 0.23 1.85 -1.10 0.00 0.00 0.00 175.10 176.23 3kwf s GLN 508 N -0.34 2.88 0.22 2.72 -0.21 0.13 -4.71 119.66 120.36 3kwf s GLN 508 Ca 0.04 -1.00 -0.24 0.00 0.02 0.00 0.00 55.36 54.18 3kwf s GLN 508 Cb -0.05 -5.24 -0.09 0.00 1.00 0.00 0.00 33.01 28.63 3kwf s GLN 508 CO -0.00 -3.30 0.81 -1.64 -2.12 0.00 0.00 175.29 169.04 3kwf s MET 509 N 6.12 4.51 0.85 2.91 -1.94 -1.26 -4.27 119.30 126.21 3kwf s MET 509 Ca 0.64 1.15 -0.12 0.00 -1.71 0.00 0.00 55.69 55.64 3kwf s MET 509 Cb -0.02 -3.05 0.10 0.00 2.01 0.00 0.00 34.83 33.87 3kwf s MET 509 CO 0.05 0.45 1.13 -1.25 -0.01 0.00 0.00 175.02 175.39 3kwf s PRO 510 N -1.58 1.68 0.33 2.03 0.04 -1.26 -4.30 135.00 131.93 3kwf s PRO 510 Ca 0.41 0.37 0.08 0.00 0.04 0.00 0.00 61.00 61.90 3kwf s PRO 510 Cb -0.21 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 3kwf s PRO 510 CO 0.25 -1.84 0.14 -1.54 0.04 0.00 0.00 177.00 174.04 3kwf s SER 511 N -4.12 4.70 -0.16 6.66 1.04 -0.43 -4.93 113.70 116.47 3kwf s SER 511 Ca 0.62 -0.75 0.02 0.00 0.48 0.00 0.00 55.95 56.32 3kwf s SER 511 Cb -0.14 -0.75 0.01 0.00 0.10 0.00 0.00 66.02 65.24 3kwf s SER 511 CO 0.53 -0.28 -0.21 -0.75 0.98 0.00 0.00 173.24 173.51 3kwf s LYS 512 N -3.84 3.02 -0.22 4.02 2.20 -1.26 -0.23 119.74 123.43 3kwf s LYS 512 Ca 0.37 -0.84 -0.10 0.00 -0.36 0.00 0.00 55.97 55.05 3kwf s LYS 512 Cb -0.03 -2.51 -0.05 0.00 -1.51 0.00 0.00 37.83 33.74 3kwf s LYS 512 CO 0.23 -0.10 0.14 0.21 -0.36 0.00 0.00 175.35 175.47 3kwf s LYS 513 N 1.02 4.08 -0.25 4.03 2.20 0.22 -4.96 119.74 126.09 3kwf s LYS 513 Ca -0.02 -0.27 0.01 0.00 -0.36 0.00 0.00 55.97 55.33 3kwf s LYS 513 Cb -0.14 -3.47 0.04 0.00 -1.51 0.00 0.00 37.83 32.75 3kwf s LYS 513 CO -0.06 0.14 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.79 3kwf s LEU 514 N 0.83 3.19 0.00 5.43 0.20 -1.26 -0.38 118.68 126.68 3kwf s LEU 514 Ca 0.07 -1.13 0.00 0.00 0.69 0.00 0.00 54.13 53.76 3kwf s LEU 514 Cb -0.13 -1.58 -0.00 0.00 -0.43 0.00 0.00 46.19 44.05 3kwf s LEU 514 CO 0.02 -0.15 0.10 -0.67 -0.29 0.00 0.00 176.35 175.36 3kwf n ASP 515 N 4.54 -0.27 -4.26 3.68 -0.08 -1.00 -5.03 116.55 114.12 3kwf n ASP 515 Ca -0.16 -1.45 -0.14 0.00 -1.51 0.00 0.00 54.79 51.52 3kwf n ASP 515 Cb 0.45 0.53 -0.10 0.00 2.34 0.00 0.00 41.12 44.33 3kwf n ASP 515 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 3kwf s PHE 516 N -3.88 1.30 0.16 -0.67 -0.12 -1.26 -1.02 117.98 112.49 3kwf s PHE 516 Ca 0.07 -0.98 0.07 0.00 -0.05 0.00 0.00 56.93 56.04 3kwf s PHE 516 Cb -0.00 -0.74 -0.04 0.00 -0.63 0.00 0.00 43.02 41.61 3kwf s PHE 516 CO 0.05 -0.15 -0.14 0.96 -0.05 0.00 0.00 175.22 175.89 3kwf s ILE 517 N -3.58 1.52 -0.10 -4.49 -4.36 0.15 -4.93 121.20 105.41 3kwf s ILE 517 Ca 0.25 -1.97 -0.08 0.00 -0.26 0.00 0.00 60.65 58.58 3kwf s ILE 517 Cb 0.06 -1.81 -0.04 0.00 1.25 0.00 0.00 42.46 41.92 3kwf s ILE 517 CO 0.05 -0.51 0.18 -0.63 0.24 0.00 0.00 174.94 174.27 3kwf s ILE 518 N -2.60 5.43 0.00 8.37 1.09 -1.26 -0.64 121.20 131.59 3kwf s ILE 518 Ca 0.16 0.31 0.00 0.00 -1.10 0.00 0.00 60.65 60.02 3kwf s ILE 518 Cb -0.02 -3.45 0.00 0.00 -1.06 0.00 0.00 42.46 37.92 3kwf s ILE 518 CO 0.04 0.61 0.00 0.18 -0.10 0.00 0.00 174.94 175.67 3kwf n LEU 519 N 2.00 0.00 -0.03 2.97 4.77 -0.95 -4.98 117.00 120.78 3kwf n LEU 519 Ca -0.19 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.77 3kwf n LEU 519 Cb 0.54 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.57 3kwf n LEU 519 CO 0.32 -0.27 -0.19 0.59 -1.33 0.00 0.00 177.39 176.51 3kwf n ASN 520 N -1.86 0.84 -0.70 -1.43 4.13 -1.26 -4.85 115.26 110.12 3kwf n ASN 520 Ca 0.00 0.36 -0.00 0.00 1.68 0.00 0.00 54.58 56.61 3kwf n ASN 520 Cb 0.00 -0.65 -0.01 0.00 -1.54 0.00 0.00 39.78 37.58 3kwf n ASN 520 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3kwf n GLU 521 N -3.34 0.00 -4.87 3.52 1.02 -1.26 -5.12 120.64 110.59 3kwf n GLU 521 Ca -0.04 -0.74 -0.31 0.00 -0.02 0.00 0.00 57.16 56.05 3kwf n GLU 521 Cb 0.15 -0.10 -0.14 0.00 -0.02 0.00 0.00 31.44 31.33 3kwf n GLU 521 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3kwf s THR 522 N 0.00 2.62 -0.09 2.62 2.01 -1.26 -5.11 115.64 116.43 3kwf s THR 522 Ca 0.04 -1.10 -0.28 0.00 0.31 0.00 0.00 61.69 60.66 3kwf s THR 522 Cb 0.05 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 3kwf s THR 522 CO -0.02 0.44 0.95 -0.54 -0.69 0.00 0.00 174.62 174.76 3kwf s LYS 523 N -1.10 4.44 -0.14 4.92 1.02 -1.26 -2.25 119.74 125.36 3kwf s LYS 523 Ca 0.13 1.30 0.02 0.00 0.02 0.00 0.00 55.97 57.43 3kwf s LYS 523 Cb -0.10 -3.52 0.01 0.00 -0.52 0.00 0.00 37.83 33.70 3kwf s LYS 523 CO 0.03 -0.22 -0.20 -0.06 -0.92 0.00 0.00 175.35 173.97 3kwf s PHE 524 N 1.69 2.53 0.29 3.18 0.08 0.19 -4.98 117.98 120.96 3kwf s PHE 524 Ca 0.47 -1.30 -0.15 0.00 0.12 0.00 0.00 56.93 56.07 3kwf s PHE 524 Cb -0.19 -1.74 -0.09 0.00 -0.57 0.00 0.00 43.02 40.44 3kwf s PHE 524 CO 0.19 -0.61 0.71 -1.58 -0.10 0.00 0.00 175.22 173.83 3kwf s TRP 525 N 0.93 3.44 0.19 0.36 0.52 -1.25 -0.68 118.94 122.45 3kwf s TRP 525 Ca -0.05 1.21 -0.03 0.00 0.02 0.00 0.00 56.10 57.26 3kwf s TRP 525 Cb -0.15 -2.52 -0.03 0.00 -1.15 0.00 0.00 33.47 29.61 3kwf s TRP 525 CO -0.04 0.17 0.15 1.52 0.02 0.00 0.00 176.95 178.78 3kwf s TYR 526 N -1.86 0.96 0.03 -1.98 1.13 -0.19 -0.88 117.35 114.56 3kwf s TYR 526 Ca 0.51 -1.24 0.00 0.00 -1.41 0.00 0.00 57.07 54.93 3kwf s TYR 526 Cb -0.12 -0.44 -0.02 0.00 -1.10 0.00 0.00 41.96 40.28 3kwf s TYR 526 CO 0.18 -0.65 -0.03 1.14 -2.51 0.00 0.00 175.55 173.68 3kwf s GLN 527 N -4.11 0.36 -0.07 -3.49 -2.07 -0.19 -2.38 119.66 107.72 3kwf s GLN 527 Ca 0.32 -0.69 0.01 0.00 -1.82 0.00 0.00 55.36 53.19 3kwf s GLN 527 Cb 0.06 0.09 0.02 0.00 -1.09 0.00 0.00 33.01 32.09 3kwf s GLN 527 CO 0.08 -0.05 -0.09 -1.64 -1.32 0.00 0.00 175.29 172.27 3kwf s MET 528 N -1.74 1.46 -0.22 9.60 -1.94 0.49 -1.47 119.30 125.48 3kwf s MET 528 Ca -0.13 -0.31 -0.22 0.00 -1.71 0.00 0.00 55.69 53.33 3kwf s MET 528 Cb -0.08 -1.30 -0.02 0.00 2.01 0.00 0.00 34.83 35.44 3kwf s MET 528 CO -0.02 -0.06 0.68 0.42 -0.01 0.00 0.00 175.02 176.03 3kwf s ILE 529 N 0.93 4.97 -0.08 2.53 1.09 -0.12 -0.61 121.20 129.91 3kwf s ILE 529 Ca -0.10 1.27 0.02 0.00 -1.10 0.00 0.00 60.65 60.73 3kwf s ILE 529 Cb -0.15 -3.98 -0.02 0.00 -1.06 0.00 0.00 42.46 37.24 3kwf s ILE 529 CO 0.01 0.05 -0.11 -0.76 -0.10 0.00 0.00 174.94 174.03 3kwf s LEU 530 N 2.23 2.88 0.76 2.97 1.43 0.68 -1.95 118.68 127.68 3kwf s LEU 530 Ca 0.30 -0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 53.07 3kwf s LEU 530 Cb -0.16 -1.62 -0.00 0.00 0.03 0.00 0.00 46.19 44.44 3kwf s LEU 530 CO 0.10 0.30 0.75 -2.65 0.23 0.00 0.00 176.35 175.07 3kwf n PRO 531 N 2.64 0.29 -2.17 1.29 -0.02 -1.26 -1.32 135.00 134.47 3kwf n PRO 531 Ca -0.18 0.15 -0.39 0.00 -2.02 0.00 0.00 63.50 61.06 3kwf n PRO 531 Cb 0.53 -2.04 -0.01 0.00 -0.02 0.00 0.00 33.50 31.95 3kwf n PRO 531 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3kwf s PRO 532 N -3.21 4.07 -1.26 0.52 0.04 -1.26 -2.66 135.00 131.23 3kwf s PRO 532 Ca 0.68 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.73 3kwf s PRO 532 Cb -0.33 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.44 3kwf s PRO 532 CO 0.55 -0.37 0.26 0.72 0.04 0.00 0.00 177.00 178.21 3kwf n HIS 533 N 0.23 -1.18 -1.57 0.56 8.25 -1.26 -4.96 115.22 115.29 3kwf n HIS 533 Ca 0.03 0.23 -0.45 0.00 -0.26 0.00 0.00 57.72 57.27 3kwf n HIS 533 Cb 0.44 -3.49 -0.01 0.00 1.12 0.00 0.00 29.99 28.05 3kwf n HIS 533 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3kwf n PHE 534 N -4.13 1.02 -3.52 4.41 7.35 -1.09 -5.00 117.46 116.51 3kwf n PHE 534 Ca -0.13 0.72 -0.25 0.00 -0.76 0.00 0.00 57.45 57.03 3kwf n PHE 534 Cb 0.61 -2.21 -0.14 0.00 0.35 0.00 0.00 39.48 38.10 3kwf n PHE 534 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3kwf s ASP 535 N -0.63 2.79 0.09 -2.13 2.15 -1.26 -5.03 116.67 112.65 3kwf s ASP 535 Ca 0.59 -0.99 0.07 0.00 0.43 0.00 0.00 52.55 52.65 3kwf s ASP 535 Cb -0.71 -0.09 0.35 0.00 -0.30 0.00 0.00 42.92 42.17 3kwf s ASP 535 CO 0.59 -0.41 1.21 2.29 -0.17 0.00 0.00 175.17 178.68 3kwf n LYS 536 N 5.27 0.04 0.16 4.34 2.85 -1.26 -0.81 118.16 128.76 3kwf n LYS 536 Ca -0.05 0.53 0.11 0.00 -1.05 0.00 0.00 58.31 57.84 3kwf n LYS 536 Cb 0.45 -1.63 0.08 0.00 -0.65 0.00 0.00 35.03 33.28 3kwf n LYS 536 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3kwf h SER 537 N 0.00 0.00 -3.76 -5.58 4.64 -1.96 -3.36 113.55 103.53 3kwf h SER 537 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3kwf h SER 537 Cb 0.02 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.14 3kwf h SER 537 CO 0.00 0.06 0.17 -0.54 -0.87 0.00 0.00 176.83 175.65 3kwf s LYS 538 N -3.25 3.63 -0.16 4.77 1.02 0.01 -5.00 119.74 120.77 3kwf s LYS 538 Ca 0.03 0.39 -0.02 0.00 0.02 0.00 0.00 55.97 56.39 3kwf s LYS 538 Cb 0.07 -2.32 -0.02 0.00 -0.52 0.00 0.00 37.83 35.04 3kwf s LYS 538 CO 0.73 -0.23 -0.08 0.15 -0.92 0.00 0.00 175.35 175.01 3kwf s LYS 539 N -4.57 3.50 0.01 1.68 1.02 -1.26 -4.41 119.74 115.71 3kwf s LYS 539 Ca 0.50 -0.61 0.03 0.00 0.02 0.00 0.00 55.97 55.92 3kwf s LYS 539 Cb -0.10 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.35 3kwf s LYS 539 CO 0.43 0.15 -0.06 0.71 -0.92 0.00 0.00 175.35 175.66 3kwf s TYR 540 N 0.57 2.91 0.51 3.18 1.51 0.40 -4.61 117.35 121.83 3kwf s TYR 540 Ca -0.05 -0.03 -0.23 0.00 -1.01 0.00 0.00 57.07 55.75 3kwf s TYR 540 Cb -0.15 -1.60 -0.06 0.00 -0.11 0.00 0.00 41.96 40.04 3kwf s TYR 540 CO 0.03 0.39 1.35 -1.25 -1.11 0.00 0.00 175.55 174.96 3kwf s PRO 541 N -1.53 3.35 -0.08 -1.71 0.04 -1.26 0.37 135.00 134.18 3kwf s PRO 541 Ca 0.18 2.21 0.02 0.00 0.04 0.00 0.00 61.00 63.45 3kwf s PRO 541 Cb -0.11 -2.37 0.01 0.00 0.04 0.00 0.00 34.50 32.07 3kwf s PRO 541 CO 0.09 -1.01 -0.13 -1.17 0.04 0.00 0.00 177.00 174.81 3kwf s LEU 542 N -3.26 1.64 -0.27 -3.56 0.20 -0.56 -1.42 118.68 111.44 3kwf s LEU 542 Ca 0.68 -0.34 -0.08 0.00 0.69 0.00 0.00 54.13 55.08 3kwf s LEU 542 Cb -0.40 -0.91 -0.02 0.00 -0.43 0.00 0.00 46.19 44.44 3kwf s LEU 542 CO 0.48 0.02 0.09 -0.22 -0.29 0.00 0.00 176.35 176.43 3kwf s LEU 543 N 0.81 3.64 -0.22 -0.68 0.20 0.50 -0.71 118.68 122.22 3kwf s LEU 543 Ca -0.11 -0.36 -0.26 0.00 0.69 0.00 0.00 54.13 54.09 3kwf s LEU 543 Cb -0.15 -1.93 -0.00 0.00 -0.43 0.00 0.00 46.19 43.67 3kwf s LEU 543 CO 0.02 -0.09 0.91 -0.22 -0.29 0.00 0.00 176.35 176.67 3kwf s LEU 544 N 1.59 4.10 -0.37 -0.68 0.20 -0.17 -0.44 118.68 122.91 3kwf s LEU 544 Ca 0.05 1.18 -0.16 0.00 0.69 0.00 0.00 54.13 55.90 3kwf s LEU 544 Cb -0.16 -3.32 0.00 0.00 -0.43 0.00 0.00 46.19 42.28 3kwf s LEU 544 CO 0.04 -0.55 0.39 -0.62 -0.29 0.00 0.00 176.35 175.31 3kwf s ASP 545 N 1.26 6.18 -0.06 3.68 -1.08 0.18 -1.00 116.67 125.84 3kwf s ASP 545 Ca 0.39 -0.42 0.05 0.00 -0.52 0.00 0.00 52.55 52.05 3kwf s ASP 545 Cb -0.15 -2.20 -0.02 0.00 -1.46 0.00 0.00 42.92 39.09 3kwf s ASP 545 CO 0.08 -0.43 -0.22 -0.69 0.52 0.00 0.00 175.17 174.43 3kwf s VAL 546 N 2.04 2.37 0.00 1.11 1.01 -0.01 -4.35 120.40 122.57 3kwf s VAL 546 Ca 0.12 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.14 3kwf s VAL 546 Cb -0.17 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.33 3kwf s VAL 546 CO 0.12 0.57 0.00 0.00 0.00 0.00 0.00 175.10 175.79 3kwf n TYR 547 N 2.79 0.00 -1.05 5.22 9.36 -1.26 -4.16 117.16 128.06 3kwf n TYR 547 Ca -0.17 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.03 3kwf n TYR 547 Cb 0.52 0.04 -0.01 0.00 -0.63 0.00 0.00 39.34 39.26 3kwf n TYR 547 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3kwf n ALA 548 N -1.48 -0.03 -0.61 2.98 0.00 -1.26 -3.33 120.51 116.77 3kwf n ALA 548 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 3kwf n ALA 548 Cb 0.00 -0.64 0.20 0.00 0.00 0.00 0.00 19.45 19.00 3kwf n ALA 548 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kwf n GLY 549 N -1.74 -1.58 3.70 0.00 0.00 -1.26 -4.84 105.19 99.48 3kwf n GLY 549 Ca -0.02 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 3kwf n GLY 549 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kwf s PRO 550 N -4.21 4.19 -0.89 1.61 0.04 -1.26 -2.33 135.00 132.15 3kwf s PRO 550 Ca 0.64 2.40 0.00 0.00 0.04 0.00 0.00 61.00 64.08 3kwf s PRO 550 Cb -0.22 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 30.97 3kwf s PRO 550 CO 0.63 -0.69 0.00 0.00 0.04 0.00 0.00 177.00 176.98 3kwf s SER 552 N -2.77 6.31 -0.10 0.00 1.04 -0.98 -4.16 113.70 113.03 3kwf s SER 552 Ca 0.00 1.04 -0.03 0.00 0.48 0.00 0.00 55.95 57.44 3kwf s SER 552 Cb 0.00 -2.30 0.04 0.00 0.10 0.00 0.00 66.02 63.87 3kwf s SER 552 CO 0.00 -0.59 0.07 -1.58 0.98 0.00 0.00 173.24 172.13 3kwf s GLN 553 N -4.62 0.00 0.00 4.02 0.74 -1.26 -1.26 119.66 117.27 3kwf s GLN 553 Ca 0.49 0.15 0.13 0.00 0.05 0.00 0.00 55.36 56.18 3kwf s GLN 553 Cb -0.10 -1.15 -0.04 0.00 1.10 0.00 0.00 33.01 32.82 3kwf s GLN 553 CO 0.43 -0.49 0.68 1.63 -0.55 0.00 0.00 175.29 177.00 3kwf n LYS 554 N 5.29 2.15 -3.86 1.67 4.76 -1.26 -4.82 118.16 122.09 3kwf n LYS 554 Ca -0.05 -0.53 -0.35 0.00 -2.87 0.00 0.00 58.31 54.51 3kwf n LYS 554 Cb 0.50 -1.15 -0.13 0.00 -1.84 0.00 0.00 35.03 32.41 3kwf n LYS 554 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kwf s ALA 555 N -1.75 3.00 0.20 7.82 0.00 -1.26 -4.73 121.76 125.05 3kwf s ALA 555 Ca 0.09 -2.28 0.04 0.00 0.00 0.00 0.00 51.96 49.82 3kwf s ALA 555 Cb 0.10 -2.19 -0.02 0.00 0.00 0.00 0.00 23.12 21.01 3kwf s ALA 555 CO 0.37 -1.61 0.18 -0.40 0.00 0.00 0.00 175.76 174.30 3kwf n ASP 556 N 4.55 -0.46 -1.54 0.00 5.68 -1.26 -4.34 116.55 119.18 3kwf n ASP 556 Ca -0.05 -2.31 0.08 0.00 -0.50 0.00 0.00 54.79 52.01 3kwf n ASP 556 Cb 0.42 1.06 0.35 0.00 -1.14 0.00 0.00 41.12 41.81 3kwf n ASP 556 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3kwf n THR 557 N -0.38 2.24 -2.69 2.12 -2.24 -0.50 -4.98 114.28 107.85 3kwf n THR 557 Ca 0.04 -1.39 -0.40 0.00 -2.27 0.00 0.00 64.05 60.04 3kwf n THR 557 Cb 0.37 -0.07 -0.06 0.00 -2.10 0.00 0.00 70.33 68.47 3kwf n THR 557 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kwf s VAL 558 N -2.33 3.95 -0.22 2.28 1.01 -1.26 -2.01 120.40 121.82 3kwf s VAL 558 Ca 0.50 1.95 -0.19 0.00 0.00 0.00 0.00 61.98 64.23 3kwf s VAL 558 Cb 0.36 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3kwf s VAL 558 CO 0.18 0.45 0.57 0.12 0.00 0.00 0.00 175.10 176.42 3kwf s PHE 559 N -1.20 3.34 0.01 5.22 5.36 0.51 -4.91 117.98 126.31 3kwf s PHE 559 Ca 0.42 0.81 0.04 0.00 -0.96 0.00 0.00 56.93 57.24 3kwf s PHE 559 Cb -0.27 -2.75 -0.01 0.00 -0.34 0.00 0.00 43.02 39.65 3kwf s PHE 559 CO 0.33 -0.19 -0.13 1.03 -1.46 0.00 0.00 175.22 174.80 3kwf s ARG 560 N 1.98 1.00 -0.39 10.12 0.52 -1.26 -4.91 118.95 126.00 3kwf s ARG 560 Ca 0.25 -0.57 -0.05 0.00 -0.52 0.00 0.00 55.73 54.84 3kwf s ARG 560 Cb -0.16 -0.98 0.09 0.00 0.52 0.00 0.00 34.95 34.43 3kwf s ARG 560 CO 0.10 0.26 0.19 -0.51 0.02 0.00 0.00 175.30 175.36 3kwf s LEU 561 N -0.62 4.98 0.00 2.53 1.43 -1.26 -4.88 118.68 120.86 3kwf s LEU 561 Ca 0.04 -1.68 0.00 0.00 -1.03 0.00 0.00 54.13 51.45 3kwf s LEU 561 Cb -0.06 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.28 3kwf s LEU 561 CO 0.00 -0.50 0.00 -0.46 0.23 0.00 0.00 176.35 175.63 3kwf n ASN 562 N 4.73 0.00 -0.17 2.29 0.23 -1.26 -5.00 115.26 116.09 3kwf n ASN 562 Ca -0.07 -0.17 -0.07 0.00 -0.53 0.00 0.00 54.58 53.74 3kwf n ASN 562 Cb 0.42 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.14 3kwf n ASN 562 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3kwf h TRP 563 N 0.17 0.64 -0.70 -2.53 7.01 -1.97 -1.75 115.95 116.81 3kwf h TRP 563 Ca 0.00 0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.16 3kwf h TRP 563 Cb 0.00 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 26.80 3kwf h TRP 563 CO 0.00 0.41 0.48 0.00 -2.79 0.00 0.00 178.44 176.54 3kwf h ALA 564 N 1.18 2.19 0.02 2.65 0.00 -1.98 -1.16 119.26 122.16 3kwf h ALA 564 Ca 0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kwf h ALA 564 Cb -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3kwf h ALA 564 CO -0.04 -0.38 -0.01 1.15 0.00 0.00 0.00 179.25 179.97 3kwf h THR 565 N 0.33 1.11 -0.72 0.00 2.02 -1.66 -2.22 112.91 111.77 3kwf h THR 565 Ca 0.34 -0.40 0.05 0.00 0.77 0.00 0.00 66.41 67.17 3kwf h THR 565 Cb 0.87 1.38 -0.05 0.00 -1.74 0.00 0.00 68.15 68.60 3kwf h THR 565 CO -0.09 0.10 0.42 0.22 0.37 0.00 0.00 175.52 176.54 3kwf h TYR 566 N -0.21 0.78 -0.24 3.16 3.20 -1.15 -1.09 116.97 121.42 3kwf h TYR 566 Ca -0.00 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 3kwf h TYR 566 Cb 0.19 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 3kwf h TYR 566 CO -0.02 0.40 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.55 3kwf h LEU 567 N 0.79 0.47 0.20 2.82 3.38 -1.12 0.26 115.31 122.11 3kwf h LEU 567 Ca 0.31 -0.17 -0.29 0.00 0.09 0.00 0.00 57.88 57.82 3kwf h LEU 567 Cb 0.14 -0.13 0.03 0.00 0.09 0.00 0.00 40.66 40.79 3kwf h LEU 567 CO -0.16 0.74 -1.34 0.00 0.09 0.00 0.00 178.44 177.77 3kwf h ALA 568 N 1.29 -0.06 0.01 1.53 0.00 -1.22 -0.68 119.26 120.13 3kwf h ALA 568 Ca 0.06 -0.88 -0.00 0.00 0.00 0.00 0.00 54.91 54.08 3kwf h ALA 568 Cb 0.71 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3kwf h ALA 568 CO 0.05 0.67 -0.01 1.03 0.00 0.00 0.00 179.25 181.00 3kwf h SER 569 N -0.05 -0.01 0.04 0.00 0.87 -1.16 -2.94 113.55 110.30 3kwf h SER 569 Ca -0.25 -0.65 -0.22 0.00 -1.23 0.00 0.00 61.79 59.44 3kwf h SER 569 Cb 1.98 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.92 3kwf h SER 569 CO 0.20 0.66 -1.16 0.74 -0.53 0.00 0.00 176.83 176.74 3kwf h THR 570 N -0.69 1.06 -0.01 2.23 2.02 -1.05 -3.40 112.91 113.06 3kwf h THR 570 Ca -0.00 -2.28 0.00 0.00 0.77 0.00 0.00 66.41 64.90 3kwf h THR 570 Cb 0.67 2.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 3kwf h THR 570 CO 0.00 0.51 -0.43 -0.62 0.37 0.00 0.00 175.52 175.35 3kwf n GLU 571 N -4.25 1.12 -3.68 6.66 -0.58 -1.08 -4.98 120.64 113.85 3kwf n GLU 571 Ca -0.27 -0.88 -0.25 0.00 -0.42 0.00 0.00 57.16 55.34 3kwf n GLU 571 Cb 0.74 -1.48 0.07 0.00 -0.57 0.00 0.00 31.44 30.19 3kwf n GLU 571 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3kwf n ASN 572 N -0.17 -5.69 -4.80 1.62 3.02 -0.64 -4.95 115.26 103.66 3kwf n ASN 572 Ca 0.10 -0.61 -0.37 0.00 -0.03 0.00 0.00 54.58 53.67 3kwf n ASN 572 Cb 0.44 -4.71 -0.07 0.00 -0.61 0.00 0.00 39.78 34.83 3kwf n ASN 572 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kwf s ILE 573 N -3.32 5.34 -0.01 2.41 1.01 -0.36 -4.53 121.20 121.74 3kwf s ILE 573 Ca 0.57 0.43 -0.29 0.00 0.00 0.00 0.00 60.65 61.36 3kwf s ILE 573 Cb -0.26 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 3kwf s ILE 573 CO 0.76 0.50 0.95 -0.63 0.00 0.00 0.00 174.94 176.52 3kwf s ILE 574 N -0.30 4.89 -0.35 2.92 1.01 -0.51 -3.57 121.20 125.29 3kwf s ILE 574 Ca 0.16 1.99 -0.05 0.00 0.00 0.00 0.00 60.65 62.74 3kwf s ILE 574 Cb -0.13 -4.29 0.05 0.00 0.01 0.00 0.00 42.46 38.11 3kwf s ILE 574 CO 0.05 0.17 0.11 -0.69 0.00 0.00 0.00 174.94 174.58 3kwf s VAL 575 N 1.00 3.61 -0.08 2.92 1.01 -0.82 -0.37 120.40 127.67 3kwf s VAL 575 Ca 0.50 -1.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 3kwf s VAL 575 Cb -0.21 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3kwf s VAL 575 CO 0.27 -0.26 0.09 0.00 0.00 0.00 0.00 175.10 175.19 3kwf s ALA 576 N 1.34 3.64 0.11 5.51 0.00 0.41 -0.95 121.76 131.83 3kwf s ALA 576 Ca -0.01 -0.75 0.07 0.00 0.00 0.00 0.00 51.96 51.27 3kwf s ALA 576 Cb -0.20 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 3kwf s ALA 576 CO 0.01 0.64 -0.17 -1.12 0.00 0.00 0.00 175.76 175.12 3kwf s SER 577 N -1.21 2.19 -0.11 0.00 0.01 -0.54 0.49 113.70 114.53 3kwf s SER 577 Ca 0.17 -0.74 -0.06 0.00 1.31 0.00 0.00 55.95 56.64 3kwf s SER 577 Cb -0.12 -0.10 0.04 0.00 0.21 0.00 0.00 66.02 66.06 3kwf s SER 577 CO 0.07 -0.05 0.25 0.12 0.41 0.00 0.00 173.24 174.04 3kwf s PHE 578 N -1.65 -0.33 -0.53 2.43 5.36 -1.26 -1.02 117.98 120.98 3kwf s PHE 578 Ca 0.07 0.79 -0.13 0.00 -0.96 0.00 0.00 56.93 56.70 3kwf s PHE 578 Cb -0.08 0.06 0.13 0.00 -0.34 0.00 0.00 43.02 42.79 3kwf s PHE 578 CO 0.04 -0.23 0.45 -0.51 -1.46 0.00 0.00 175.22 173.51 3kwf s ASP 579 N 1.16 6.01 0.00 6.13 1.01 -0.05 -4.83 116.67 126.09 3kwf s ASP 579 Ca -0.08 -1.92 0.00 0.00 0.71 0.00 0.00 52.55 51.26 3kwf s ASP 579 Cb -0.09 -2.12 0.00 0.00 1.01 0.00 0.00 42.92 41.71 3kwf s ASP 579 CO -0.08 -0.77 0.00 0.61 0.21 0.00 0.00 175.17 175.15 3kwf n GLY 580 N 5.00 1.90 3.77 0.21 0.00 -1.26 -3.75 105.19 111.06 3kwf n GLY 580 Ca -0.09 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 3kwf n GLY 580 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kwf s ARG 581 N 3.75 4.03 0.00 1.61 0.52 -1.26 -2.37 118.95 125.23 3kwf s ARG 581 Ca 0.00 2.26 0.00 0.00 -0.52 0.00 0.00 55.73 57.47 3kwf s ARG 581 Cb 0.00 -2.84 0.00 0.00 0.52 0.00 0.00 34.95 32.63 3kwf s ARG 581 CO 0.00 -0.48 0.00 0.41 0.02 0.00 0.00 175.30 175.25 3kwf n GLY 582 N 0.65 2.27 3.76 -3.53 0.00 0.15 -4.12 105.19 104.37 3kwf n GLY 582 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3kwf n GLY 582 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kwf s SER 583 N -1.71 3.71 0.45 1.61 1.04 -1.00 0.16 113.70 117.96 3kwf s SER 583 Ca 0.00 1.28 0.07 0.00 0.48 0.00 0.00 55.95 57.78 3kwf s SER 583 Cb 0.00 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.17 3kwf s SER 583 CO 0.00 -2.46 0.43 -0.83 0.98 0.00 0.00 173.24 171.36 3kwf s GLY 584 N -3.72 2.13 -0.55 7.32 0.00 -0.39 -3.58 107.32 108.53 3kwf s GLY 584 Ca 0.63 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.56 3kwf s GLY 584 CO 0.55 -1.73 0.00 -1.72 0.00 0.00 0.00 173.10 170.20 3kwf n TYR 585 N -1.67 0.00 -0.39 1.90 4.01 -1.26 -4.82 117.16 114.94 3kwf n TYR 585 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 3kwf n TYR 585 Cb 0.62 -1.39 0.00 0.00 -0.31 0.00 0.00 39.34 38.26 3kwf n TYR 585 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3kwf n GLN 586 N -2.14 1.78 0.00 -0.72 6.02 -1.26 -4.44 117.38 116.63 3kwf n GLN 586 Ca -0.05 -1.09 0.00 0.00 -0.01 0.00 0.00 57.00 55.84 3kwf n GLN 586 Cb 0.26 -0.81 0.00 0.00 1.02 0.00 0.00 30.24 30.71 3kwf n GLN 586 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kwf n GLY 587 N -0.30 2.25 0.17 1.08 0.00 -1.26 -4.68 105.19 102.45 3kwf n GLY 587 Ca 0.00 -1.92 0.02 0.00 0.00 0.00 0.00 46.02 44.12 3kwf n GLY 587 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kwf h ASP 588 N 0.00 0.00 -0.89 1.61 3.32 -0.30 -1.51 116.42 118.64 3kwf h ASP 588 Ca 0.00 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.15 3kwf h ASP 588 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 3kwf h ASP 588 CO 0.00 0.45 0.58 0.50 -1.72 0.00 0.00 179.24 179.05 3kwf h LYS 589 N 0.00 0.86 0.05 3.56 1.63 -1.88 0.54 116.57 121.33 3kwf h LYS 589 Ca -0.00 -0.05 -0.18 0.00 -0.85 0.00 0.00 60.65 59.57 3kwf h LYS 589 Cb 0.85 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.28 3kwf h LYS 589 CO 0.06 0.57 -0.91 0.82 -3.45 0.00 0.00 179.45 176.54 3kwf h ILE 590 N 0.88 1.27 -0.32 2.00 2.04 -1.77 -3.32 117.51 118.29 3kwf h ILE 590 Ca 0.41 -2.34 -0.08 0.00 1.00 0.00 0.00 64.86 63.86 3kwf h ILE 590 Cb 0.41 2.82 -0.01 0.00 -0.74 0.00 0.00 36.82 39.30 3kwf h ILE 590 CO -0.18 0.57 -0.09 -0.03 0.00 0.00 0.00 178.15 178.42 3kwf h MET 591 N -0.70 0.63 -0.00 2.37 4.05 -1.02 0.50 114.93 120.76 3kwf h MET 591 Ca -0.21 -0.25 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 3kwf h MET 591 Cb 1.41 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.18 3kwf h MET 591 CO -0.02 0.82 -0.00 0.72 0.23 0.00 0.00 176.91 178.65 3kwf n HIS 592 N -4.43 0.00 0.20 1.39 8.25 0.19 -3.94 115.22 116.88 3kwf n HIS 592 Ca -0.03 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.62 3kwf n HIS 592 Cb 0.34 -0.02 0.83 0.00 1.12 0.00 0.00 29.99 32.27 3kwf n HIS 592 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kwf h ALA 593 N 4.04 1.76 -0.17 -1.41 0.00 -1.62 -1.56 119.26 120.31 3kwf h ALA 593 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kwf h ALA 593 Cb 0.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kwf h ALA 593 CO 0.00 -0.37 0.00 1.51 0.00 0.00 0.00 179.25 180.39 3kwf n ILE 594 N -3.60 0.21 -1.60 0.00 0.13 -1.25 -4.94 119.36 108.31 3kwf n ILE 594 Ca 0.02 -0.61 -0.50 0.00 -1.10 0.00 0.00 62.75 60.56 3kwf n ILE 594 Cb 0.39 1.27 -0.05 0.00 -0.84 0.00 0.00 39.64 40.41 3kwf n ILE 594 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 3kwf n ASN 595 N 1.35 1.77 -1.09 9.51 5.15 -0.59 -0.80 115.26 130.56 3kwf n ASN 595 Ca 0.16 1.12 -0.13 0.00 -0.60 0.00 0.00 54.58 55.13 3kwf n ASN 595 Cb 0.58 -1.23 -0.06 0.00 -0.53 0.00 0.00 39.78 38.55 3kwf n ASN 595 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3kwf n ARG 596 N 2.42 -1.57 -2.74 1.20 1.74 0.18 -4.80 116.66 113.09 3kwf n ARG 596 Ca 0.17 0.89 -0.03 0.00 -0.77 0.00 0.00 57.85 58.11 3kwf n ARG 596 Cb 0.22 -5.19 0.08 0.00 -1.02 0.00 0.00 32.46 26.55 3kwf n ARG 596 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kwf n ARG 597 N -1.32 1.46 -2.07 5.56 1.74 0.01 -4.90 116.66 117.14 3kwf n ARG 597 Ca -0.13 -2.57 -0.37 0.00 -0.77 0.00 0.00 57.85 54.00 3kwf n ARG 597 Cb 0.55 -0.75 0.01 0.00 -1.02 0.00 0.00 32.46 31.25 3kwf n ARG 597 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kwf s LEU 598 N -3.71 3.91 -0.20 0.55 1.43 -1.23 -3.24 118.68 116.20 3kwf s LEU 598 Ca 0.21 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 3kwf s LEU 598 Cb 0.39 -4.30 0.00 0.00 0.03 0.00 0.00 46.19 42.32 3kwf s LEU 598 CO -0.06 -1.22 0.00 0.61 0.23 0.00 0.00 176.35 175.91 3kwf n GLY 599 N 0.54 0.46 0.00 -3.19 0.00 -1.26 -4.86 105.19 96.89 3kwf n GLY 599 Ca 0.09 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.17 3kwf n GLY 599 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kwf n THR 600 N -3.24 0.00 -0.06 2.61 -2.24 -1.20 -4.78 114.28 105.37 3kwf n THR 600 Ca -0.02 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.82 3kwf n THR 600 Cb 0.19 -0.02 0.42 0.00 -2.10 0.00 0.00 70.33 68.82 3kwf n THR 600 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3kwf h PHE 601 N 0.00 0.56 0.00 4.78 0.04 -1.93 0.08 116.94 120.47 3kwf h PHE 601 Ca 0.00 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.70 3kwf h PHE 601 Cb 0.00 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 3kwf h PHE 601 CO 0.00 0.32 -0.38 1.05 -0.60 0.00 0.00 178.31 178.70 3kwf h GLU 602 N 0.58 0.00 0.00 1.51 9.09 -1.91 0.23 114.58 124.08 3kwf h GLU 602 Ca 0.21 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.62 3kwf h GLU 602 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.22 3kwf h GLU 602 CO -0.05 0.38 -0.01 0.28 0.05 0.00 0.00 179.01 179.66 3kwf h VAL 603 N 0.00 1.78 -0.38 -1.06 2.07 -1.47 -3.22 116.25 113.96 3kwf h VAL 603 Ca -0.00 -2.29 0.08 0.00 0.82 0.00 0.00 66.70 65.30 3kwf h VAL 603 Cb 0.77 3.34 -0.08 0.00 -1.52 0.00 0.00 31.29 33.80 3kwf h VAL 603 CO 0.05 0.60 -0.14 -0.33 0.02 0.00 0.00 177.57 177.76 3kwf h GLU 604 N -0.97 -0.07 -0.91 1.57 5.08 -0.92 -2.66 114.58 115.72 3kwf h GLU 604 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3kwf h GLU 604 Cb 0.98 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 3kwf h GLU 604 CO 0.00 -0.04 0.58 -0.44 -1.00 0.00 0.00 179.01 178.11 3kwf h ASP 605 N -0.07 1.06 -0.64 1.42 5.19 -1.08 -1.30 116.42 121.00 3kwf h ASP 605 Ca 0.19 -0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.53 3kwf h ASP 605 Cb 0.36 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.57 3kwf h ASP 605 CO -0.43 0.79 0.32 1.56 -3.12 0.00 0.00 179.24 178.35 3kwf h GLN 606 N 1.24 0.95 -0.11 3.56 1.08 -1.52 0.22 115.11 120.53 3kwf h GLN 606 Ca 0.33 -0.13 -0.00 0.00 -1.45 0.00 0.00 58.65 57.40 3kwf h GLN 606 Cb -0.11 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.14 3kwf h GLN 606 CO -0.07 0.74 0.05 0.82 -0.95 0.00 0.00 178.83 179.42 3kwf h ILE 607 N 0.94 1.12 -0.35 2.54 2.04 -1.02 -2.07 117.51 120.72 3kwf h ILE 607 Ca 0.23 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3kwf h ILE 607 Cb 0.10 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3kwf h ILE 607 CO -0.03 0.11 0.23 -0.33 0.00 0.00 0.00 178.15 178.13 3kwf h GLU 608 N 0.05 0.47 -0.43 2.37 4.39 -0.87 -1.10 114.58 119.45 3kwf h GLU 608 Ca 0.04 -0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.79 3kwf h GLU 608 Cb 0.13 -0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 28.59 3kwf h GLU 608 CO -0.00 0.33 -0.22 0.00 -1.16 0.00 0.00 179.01 177.95 3kwf h ALA 609 N 1.11 0.08 -0.50 3.43 0.00 -0.54 0.15 119.26 123.00 3kwf h ALA 609 Ca 0.13 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.20 3kwf h ALA 609 Cb -0.03 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3kwf h ALA 609 CO -0.03 -0.58 0.32 0.00 0.00 0.00 0.00 179.25 178.97 3kwf h ALA 610 N 1.13 0.64 -0.32 0.00 0.00 -1.10 -0.53 119.26 119.08 3kwf h ALA 610 Ca 0.21 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3kwf h ALA 610 Cb 0.46 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3kwf h ALA 610 CO -0.52 0.05 -0.00 0.00 0.00 0.00 0.00 179.25 178.79 3kwf h ARG 611 N 0.65 0.09 -1.00 0.00 3.08 -0.22 0.26 114.38 117.23 3kwf h ARG 611 Ca 0.19 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.29 3kwf h ARG 611 Cb -0.05 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 29.92 3kwf h ARG 611 CO -0.06 0.06 0.65 1.96 -1.07 0.00 0.00 179.97 181.51 3kwf h GLN 612 N 0.09 1.16 -0.08 0.04 1.08 -0.37 -2.16 115.11 114.87 3kwf h GLN 612 Ca 0.15 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 57.19 3kwf h GLN 612 Cb 0.21 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 3kwf h GLN 612 CO -0.26 0.77 -0.39 0.74 -0.95 0.00 0.00 178.83 178.74 3kwf h PHE 613 N 1.20 0.19 0.38 2.96 0.04 -0.17 -2.73 116.94 118.80 3kwf h PHE 613 Ca 0.42 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 61.13 3kwf h PHE 613 Cb 0.12 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 3kwf h PHE 613 CO -0.00 0.53 -0.24 0.77 -0.60 0.00 0.00 178.31 178.77 3kwf h SER 614 N 0.14 -0.61 0.10 2.17 0.02 -0.38 -2.71 113.55 112.28 3kwf h SER 614 Ca 0.01 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3kwf h SER 614 Cb 0.75 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.47 3kwf h SER 614 CO 0.06 -0.38 0.00 0.29 -1.14 0.00 0.00 176.83 175.66 3kwf n LYS 615 N -5.37 0.06 -2.78 3.45 5.02 -0.89 -4.53 118.16 113.11 3kwf n LYS 615 Ca -0.10 0.26 -0.41 0.00 -2.02 0.00 0.00 58.31 56.04 3kwf n LYS 615 Cb 0.28 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.74 3kwf n LYS 615 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3kwf s MET 616 N -2.62 4.69 0.09 1.97 -1.94 -1.02 -4.97 119.30 115.50 3kwf s MET 616 Ca 0.04 1.39 0.13 0.00 -1.71 0.00 0.00 55.69 55.54 3kwf s MET 616 Cb 0.03 -3.36 0.57 0.00 2.01 0.00 0.00 34.83 34.08 3kwf s MET 616 CO 0.08 0.28 1.39 0.41 -0.01 0.00 0.00 175.02 177.17 3kwf n GLY 617 N 2.14 -0.87 1.12 -0.03 0.00 -1.26 -3.13 105.19 103.15 3kwf n GLY 617 Ca 0.01 0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.15 3kwf n GLY 617 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3kwf n PHE 618 N -1.74 0.78 -5.05 1.61 1.16 -1.26 -4.73 117.46 108.23 3kwf n PHE 618 Ca 0.01 -0.47 -0.32 0.00 -1.87 0.00 0.00 57.45 54.80 3kwf n PHE 618 Cb 0.11 -0.01 -0.15 0.00 -1.61 0.00 0.00 39.48 37.82 3kwf n PHE 618 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3kwf s VAL 619 N -1.04 2.60 -0.46 1.97 1.01 -1.18 -0.45 120.40 122.85 3kwf s VAL 619 Ca 0.40 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 61.29 3kwf s VAL 619 Cb 0.21 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.63 3kwf s VAL 619 CO 0.28 0.57 0.72 -0.62 0.00 0.00 0.00 175.10 176.05 3kwf s ASP 620 N -0.36 6.35 0.00 3.32 3.68 0.16 -4.65 116.67 125.17 3kwf s ASP 620 Ca 0.03 -0.29 0.26 0.00 2.13 0.00 0.00 52.55 54.68 3kwf s ASP 620 Cb -0.12 -2.35 1.48 0.00 -1.45 0.00 0.00 42.92 40.47 3kwf s ASP 620 CO 0.02 -0.87 1.91 -0.46 0.13 0.00 0.00 175.17 175.90 3kwf n ASN 621 N 6.52 0.00 0.04 -0.34 2.04 -1.26 -1.85 115.26 120.41 3kwf n ASN 621 Ca -0.00 -0.55 0.12 0.00 -0.44 0.00 0.00 54.58 53.71 3kwf n ASN 621 Cb 0.48 -0.11 0.14 0.00 -2.53 0.00 0.00 39.78 37.76 3kwf n ASN 621 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 3kwf n LYS 622 N -1.11 0.22 -3.26 -3.83 5.02 -1.26 -4.42 118.16 109.52 3kwf n LYS 622 Ca 0.17 0.04 -0.25 0.00 -2.02 0.00 0.00 58.31 56.24 3kwf n LYS 622 Cb 0.13 -1.61 -0.07 0.00 -0.02 0.00 0.00 35.03 33.46 3kwf n LYS 622 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kwf n ARG 623 N -1.92 2.02 -4.29 1.97 1.74 -0.77 -4.75 116.66 110.66 3kwf n ARG 623 Ca 0.03 -4.20 -0.34 0.00 -0.77 0.00 0.00 57.85 52.57 3kwf n ARG 623 Cb 0.41 -1.92 -0.15 0.00 -1.02 0.00 0.00 32.46 29.78 3kwf n ARG 623 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kwf s ILE 624 N -2.45 2.98 0.41 0.55 1.01 -1.26 -1.50 121.20 120.94 3kwf s ILE 624 Ca 0.40 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.47 3kwf s ILE 624 Cb 0.19 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.32 3kwf s ILE 624 CO -0.06 0.48 0.19 0.00 0.00 0.00 0.00 174.94 175.55 3kwf s ALA 625 N 1.01 3.62 -0.02 9.38 0.00 0.12 -0.73 121.76 135.14 3kwf s ALA 625 Ca -0.01 -2.09 -0.04 0.00 0.00 0.00 0.00 51.96 49.82 3kwf s ALA 625 Cb -0.15 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.54 3kwf s ALA 625 CO -0.02 -0.16 0.10 -1.50 0.00 0.00 0.00 175.76 174.18 3kwf s ILE 626 N -2.58 0.04 -0.01 0.00 2.07 -1.00 -1.00 121.20 118.71 3kwf s ILE 626 Ca 0.41 -0.30 -0.21 0.00 -1.41 0.00 0.00 60.65 59.14 3kwf s ILE 626 Cb 0.03 -0.24 0.04 0.00 0.13 0.00 0.00 42.46 42.42 3kwf s ILE 626 CO 0.23 -0.16 0.46 -1.66 -1.91 0.00 0.00 174.94 171.90 3kwf s TRP 627 N -0.52 -0.37 0.07 3.50 1.48 -0.17 -1.16 118.94 121.78 3kwf s TRP 627 Ca -0.06 0.57 -0.26 0.00 -1.06 0.00 0.00 56.10 55.29 3kwf s TRP 627 Cb -0.04 0.23 0.08 0.00 -1.16 0.00 0.00 33.47 32.59 3kwf s TRP 627 CO 0.00 -0.50 0.72 0.20 -4.06 0.00 0.00 176.95 173.31 3kwf s GLY 628 N -1.41 -0.55 0.16 3.67 0.00 -0.94 -0.83 107.32 107.42 3kwf s GLY 628 Ca -0.11 0.80 0.09 0.00 0.00 0.00 0.00 44.72 45.50 3kwf s GLY 628 CO 0.05 0.33 -0.12 0.86 0.00 0.00 0.00 173.10 174.22 3kwf s TRP 629 N -3.19 2.62 0.00 1.90 -0.11 -1.26 -1.53 118.94 117.37 3kwf s TRP 629 Ca 0.01 -0.22 0.00 0.00 1.22 0.00 0.00 56.10 57.11 3kwf s TRP 629 Cb -0.01 -1.31 0.00 0.00 -1.50 0.00 0.00 33.47 30.65 3kwf s TRP 629 CO -0.09 0.48 0.00 -1.13 -4.62 0.00 0.00 176.95 171.59 3kwf n SER 630 N 0.27 0.00 -0.19 5.86 3.41 -0.47 0.42 113.62 122.93 3kwf n SER 630 Ca -0.12 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.55 3kwf n SER 630 Cb 0.54 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.83 3kwf n SER 630 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3kwf h TYR 631 N 0.00 0.79 -0.28 7.33 5.03 -1.87 -2.16 116.97 125.81 3kwf h TYR 631 Ca 0.00 0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.25 3kwf h TYR 631 Cb 0.00 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 38.00 3kwf h TYR 631 CO 0.00 0.43 -0.16 0.78 -1.32 0.00 0.00 178.16 177.89 3kwf h GLY 632 N 0.79 0.52 1.60 1.82 0.00 -0.03 -0.84 103.07 106.93 3kwf h GLY 632 Ca 0.31 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 47.16 3kwf h GLY 632 CO -0.10 0.34 -0.29 -1.33 0.00 0.00 0.00 176.54 175.16 3kwf h GLY 633 N 0.94 0.49 0.83 4.60 0.00 -1.23 0.10 103.07 108.82 3kwf h GLY 633 Ca 0.08 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 3kwf h GLY 633 CO 0.03 0.38 0.02 -1.82 0.00 0.00 0.00 176.54 175.15 3kwf h TYR 634 N 0.40 0.39 -0.26 5.60 3.20 -0.81 -2.21 116.97 123.29 3kwf h TYR 634 Ca 0.05 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 3kwf h TYR 634 Cb 0.72 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 3kwf h TYR 634 CO 0.02 0.53 -0.07 0.28 -1.64 0.00 0.00 178.16 177.29 3kwf h VAL 635 N 0.14 1.28 -0.59 1.81 2.07 -1.03 -1.48 116.25 118.46 3kwf h VAL 635 Ca 0.06 -1.08 0.12 0.00 0.82 0.00 0.00 66.70 66.62 3kwf h VAL 635 Cb 0.36 1.47 -0.11 0.00 -1.52 0.00 0.00 31.29 31.49 3kwf h VAL 635 CO 0.01 0.34 -0.15 0.74 0.02 0.00 0.00 177.57 178.52 3kwf h THR 636 N 0.24 0.40 -0.48 2.57 2.02 -1.02 0.17 112.91 116.81 3kwf h THR 636 Ca 0.06 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.20 3kwf h THR 636 Cb 0.54 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 3kwf h THR 636 CO 0.03 0.00 0.14 0.28 0.37 0.00 0.00 175.52 176.34 3kwf h SER 637 N -0.01 0.71 -0.52 4.18 0.02 -1.21 0.16 113.55 116.88 3kwf h SER 637 Ca 0.28 -0.21 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 3kwf h SER 637 Cb 0.44 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 3kwf h SER 637 CO -0.61 0.74 0.03 0.24 -1.14 0.00 0.00 176.83 176.09 3kwf h MET 638 N 0.65 0.94 0.02 3.45 2.86 -0.74 -0.32 114.93 121.78 3kwf h MET 638 Ca 0.15 -0.26 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3kwf h MET 638 Cb 0.29 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3kwf h MET 638 CO -0.00 0.91 -0.01 0.28 1.06 0.00 0.00 176.91 179.14 3kwf h VAL 639 N 0.87 1.14 -0.07 -2.22 2.07 -0.47 -2.40 116.25 115.18 3kwf h VAL 639 Ca 0.17 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.22 3kwf h VAL 639 Cb 0.47 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3kwf h VAL 639 CO 0.02 0.13 0.06 -0.07 0.02 0.00 0.00 177.57 177.73 3kwf h LEU 640 N -0.24 0.00 -1.50 2.57 3.38 -0.53 -1.42 115.31 117.57 3kwf h LEU 640 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kwf h LEU 640 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3kwf h LEU 640 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3kwf n GLY 641 N -1.42 0.75 0.15 0.83 0.00 -0.14 -4.31 105.19 101.05 3kwf n GLY 641 Ca -0.01 -0.52 0.05 0.00 0.00 0.00 0.00 46.02 45.54 3kwf n GLY 641 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kwf h SER 642 N 2.96 0.00 -0.24 1.61 4.64 -0.73 -3.44 113.55 118.35 3kwf h SER 642 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3kwf h SER 642 Cb 0.65 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 3kwf h SER 642 CO 0.00 0.35 -0.06 0.61 -0.87 0.00 0.00 176.83 176.86 3kwf n GLY 643 N 1.22 0.48 0.18 -0.77 0.00 -1.26 -4.95 105.19 100.09 3kwf n GLY 643 Ca 0.01 -0.88 0.03 0.00 0.00 0.00 0.00 46.02 45.18 3kwf n GLY 643 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kwf h SER 644 N 0.00 0.00 0.00 1.61 4.64 -1.90 -3.47 113.55 114.43 3kwf h SER 644 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3kwf h SER 644 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3kwf h SER 644 CO 0.09 0.43 0.00 0.61 -0.87 0.00 0.00 176.83 177.08 3kwf n GLY 645 N -0.01 1.51 0.13 -0.77 0.00 -1.26 -4.89 105.19 99.90 3kwf n GLY 645 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3kwf n GLY 645 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kwf h VAL 646 N 0.00 1.47 -3.32 1.61 2.07 -1.95 -3.45 116.25 112.68 3kwf h VAL 646 Ca 0.00 -2.54 -0.64 0.00 0.82 0.00 0.00 66.70 64.34 3kwf h VAL 646 Cb 0.00 2.41 -0.19 0.00 -1.52 0.00 0.00 31.29 31.99 3kwf h VAL 646 CO 0.00 0.74 -0.64 -0.36 0.02 0.00 0.00 177.57 177.33 3kwf s PHE 647 N -3.27 3.08 -0.00 1.57 0.40 -1.26 -4.56 117.98 113.94 3kwf s PHE 647 Ca -0.03 -0.13 -0.20 0.00 -0.60 0.00 0.00 56.93 55.96 3kwf s PHE 647 Cb 0.10 -1.94 -0.25 0.00 0.51 0.00 0.00 43.02 41.44 3kwf s PHE 647 CO 0.83 0.10 1.06 -0.22 0.70 0.00 0.00 175.22 177.69 3kwf h LYS 648 N 6.37 0.40 -3.82 0.44 3.64 -1.22 -3.46 116.57 118.91 3kwf h LYS 648 Ca -0.36 -0.47 -0.11 0.00 -1.27 0.00 0.00 60.65 58.44 3kwf h LYS 648 Cb 1.19 0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 33.05 3kwf h LYS 648 CO 0.62 1.14 -0.19 0.00 -2.27 0.00 0.00 179.45 178.76 3kwf s GLY 650 N -3.07 -0.36 -0.07 0.00 0.00 -0.63 -2.37 107.32 100.82 3kwf s GLY 650 Ca 0.26 1.48 0.04 0.00 0.00 0.00 0.00 44.72 46.49 3kwf s GLY 650 CO 0.11 0.61 -0.18 -0.42 0.00 0.00 0.00 173.10 173.22 3kwf s ILE 651 N -2.30 1.58 -0.21 0.90 1.01 -0.31 -1.74 121.20 120.13 3kwf s ILE 651 Ca 0.04 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 3kwf s ILE 651 Cb -0.01 -1.39 0.01 0.00 0.01 0.00 0.00 42.46 41.09 3kwf s ILE 651 CO -0.05 0.45 -0.12 0.00 0.00 0.00 0.00 174.94 175.23 3kwf s ALA 652 N 0.37 2.57 -0.20 9.38 0.00 -0.29 -2.22 121.76 131.37 3kwf s ALA 652 Ca -0.13 -1.28 -0.06 0.00 0.00 0.00 0.00 51.96 50.49 3kwf s ALA 652 Cb -0.16 -1.47 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 3kwf s ALA 652 CO 0.05 -0.51 0.02 0.08 0.00 0.00 0.00 175.76 175.40 3kwf s VAL 653 N 1.35 4.11 -1.41 0.00 1.01 -0.58 -1.40 120.40 123.48 3kwf s VAL 653 Ca 0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 3kwf s VAL 653 Cb -0.14 -2.86 0.00 0.00 0.00 0.00 0.00 36.38 33.37 3kwf s VAL 653 CO -0.08 0.42 0.36 0.00 0.00 0.00 0.00 175.10 175.80 3kwf n ALA 654 N 4.21 -2.06 -1.75 5.51 0.00 0.47 -1.36 120.51 125.53 3kwf n ALA 654 Ca -0.17 -0.31 -0.33 0.00 0.00 0.00 0.00 53.44 52.63 3kwf n ALA 654 Cb 0.52 -1.51 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 3kwf n ALA 654 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kwf s PRO 655 N -6.73 3.63 0.34 0.00 0.04 -1.26 -3.61 135.00 127.42 3kwf s PRO 655 Ca 0.04 1.19 -0.26 0.00 0.04 0.00 0.00 61.00 62.02 3kwf s PRO 655 Cb -0.02 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 3kwf s PRO 655 CO 0.91 -0.55 1.04 0.08 0.04 0.00 0.00 177.00 178.52 3kwf s VAL 656 N -2.34 3.76 -0.00 -0.36 1.01 -1.23 -4.51 120.40 116.73 3kwf s VAL 656 Ca 0.64 1.51 0.01 0.00 0.00 0.00 0.00 61.98 64.13 3kwf s VAL 656 Cb -0.14 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 3kwf s VAL 656 CO 0.30 0.16 0.01 -1.54 0.00 0.00 0.00 175.10 174.03 3kwf n SER 657 N 0.49 4.80 -3.67 3.32 3.41 -1.26 -4.24 113.62 116.47 3kwf n SER 657 Ca 0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.55 3kwf n SER 657 Cb 0.48 0.75 -0.09 0.00 -0.26 0.00 0.00 64.21 65.09 3kwf n SER 657 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3kwf s ARG 658 N -2.04 0.54 0.50 4.33 3.52 -1.26 -0.47 118.95 124.07 3kwf s ARG 658 Ca -0.00 1.03 0.27 0.00 -0.13 0.00 0.00 55.73 56.90 3kwf s ARG 658 Cb 0.00 0.11 1.30 0.00 -1.56 0.00 0.00 34.95 34.80 3kwf s ARG 658 CO 0.03 -0.16 1.99 -1.49 -0.81 0.00 0.00 175.30 174.86 3kwf h TRP 659 N 7.17 0.00 0.00 5.12 4.06 -1.87 -2.13 115.95 128.29 3kwf h TRP 659 Ca -0.32 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.63 3kwf h TRP 659 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 3kwf h TRP 659 CO 0.16 0.15 0.00 0.93 -3.56 0.00 0.00 178.44 176.11 3kwf h GLU 660 N 0.00 0.00 0.00 0.49 5.08 -1.91 -2.64 114.58 115.60 3kwf h GLU 660 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3kwf h GLU 660 Cb 0.48 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 3kwf h GLU 660 CO 0.02 0.00 -0.70 1.88 -1.00 0.00 0.00 179.01 179.21 3kwf h TYR 661 N 0.00 0.00 -3.33 4.33 0.05 -1.76 -3.29 116.97 112.97 3kwf h TYR 661 Ca 0.00 0.00 -0.45 0.00 0.05 0.00 0.00 58.73 58.33 3kwf h TYR 661 Cb 0.20 0.00 0.07 0.00 1.01 0.00 0.00 36.73 38.02 3kwf h TYR 661 CO 0.00 0.09 0.15 -0.47 -1.05 0.00 0.00 178.16 176.88 3kwf s TYR 662 N -3.25 2.81 0.61 4.88 5.04 -1.00 -4.84 117.35 121.61 3kwf s TYR 662 Ca 0.02 0.27 -0.15 0.00 -2.44 0.00 0.00 57.07 54.77 3kwf s TYR 662 Cb 0.08 -3.08 -0.03 0.00 0.35 0.00 0.00 41.96 39.28 3kwf s TYR 662 CO 0.75 -1.29 1.06 0.16 -1.34 0.00 0.00 175.55 174.89 3kwf s ASP 663 N -4.51 5.67 0.19 4.32 1.47 -1.26 -1.73 116.67 120.82 3kwf s ASP 663 Ca 0.60 1.80 -0.12 0.00 1.18 0.00 0.00 52.55 56.01 3kwf s ASP 663 Cb -0.10 -2.53 0.18 0.00 -0.34 0.00 0.00 42.92 40.13 3kwf s ASP 663 CO 0.43 -1.25 1.79 0.77 0.68 0.00 0.00 175.17 177.60 3kwf h SER 664 N 0.23 0.44 -0.31 2.11 4.64 -0.60 -2.38 113.55 117.68 3kwf h SER 664 Ca -0.46 0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 60.81 3kwf h SER 664 Cb 1.22 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3kwf h SER 664 CO 0.57 0.30 -0.09 0.58 -0.87 0.00 0.00 176.83 177.31 3kwf h VAL 665 N 0.58 1.28 0.02 0.95 2.07 -1.92 -1.31 116.25 117.92 3kwf h VAL 665 Ca 0.25 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 3kwf h VAL 665 Cb 0.15 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3kwf h VAL 665 CO -0.17 0.37 -0.01 0.22 0.02 0.00 0.00 177.57 178.00 3kwf h TYR 666 N 0.37 -0.03 -0.35 1.57 5.03 -1.93 -3.26 116.97 118.38 3kwf h TYR 666 Ca 0.08 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.36 3kwf h TYR 666 Cb 0.59 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.86 3kwf h TYR 666 CO 0.05 0.63 0.11 1.15 -1.32 0.00 0.00 178.16 178.79 3kwf h THR 667 N -0.72 1.21 0.00 1.81 2.02 -1.42 -2.92 112.91 112.89 3kwf h THR 667 Ca -0.00 -0.68 -0.07 0.00 0.77 0.00 0.00 66.41 66.43 3kwf h THR 667 Cb 0.67 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 3kwf h THR 667 CO 0.00 0.23 -0.35 -0.33 0.37 0.00 0.00 175.52 175.45 3kwf h GLU 668 N 0.42 0.00 -1.00 6.66 5.08 -1.41 0.17 114.58 124.49 3kwf h GLU 668 Ca 0.11 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.64 3kwf h GLU 668 Cb 0.25 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.40 3kwf h GLU 668 CO -0.00 0.35 0.62 -0.09 -1.00 0.00 0.00 179.01 178.88 3kwf h ARG 669 N 0.00 0.81 0.00 2.33 2.43 -1.55 -0.80 114.38 117.60 3kwf h ARG 669 Ca -0.00 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 3kwf h ARG 669 Cb 0.90 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 3kwf h ARG 669 CO 0.05 0.53 -1.76 0.66 -1.51 0.00 0.00 179.97 177.94 3kwf n TYR 670 N -4.72 0.00 0.33 2.20 4.01 -0.93 -4.67 117.16 113.39 3kwf n TYR 670 Ca 0.22 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.99 3kwf n TYR 670 Cb 0.51 -0.43 -0.04 0.00 -0.31 0.00 0.00 39.34 39.07 3kwf n TYR 670 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3kwf n MET 671 N -2.15 4.52 0.00 -0.72 2.81 0.54 0.51 117.12 122.63 3kwf n MET 671 Ca -0.08 -0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 3kwf n MET 671 Cb 0.53 -0.85 0.00 0.00 -0.71 0.00 0.00 33.22 32.19 3kwf n MET 671 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kwf n GLY 672 N 1.19 0.61 3.87 3.03 0.00 -0.31 -4.70 105.19 108.88 3kwf n GLY 672 Ca 0.01 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 3kwf n GLY 672 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kwf s LEU 673 N 0.00 4.30 -1.31 0.99 1.43 -1.26 -4.32 118.68 118.51 3kwf s LEU 673 Ca 0.00 0.78 -0.07 0.00 -1.03 0.00 0.00 54.13 53.81 3kwf s LEU 673 Cb 0.00 -3.20 0.02 0.00 0.03 0.00 0.00 46.19 43.04 3kwf s LEU 673 CO 0.00 0.10 2.68 -0.81 0.23 0.00 0.00 176.35 178.54 3kwf n PRO 674 N 0.52 4.02 -4.33 1.29 -0.04 -1.26 -1.48 135.00 133.71 3kwf n PRO 674 Ca -0.05 -2.83 -0.25 0.00 -0.04 0.00 0.00 63.50 60.33 3kwf n PRO 674 Cb 0.52 -2.63 -0.09 0.00 -0.04 0.00 0.00 33.50 31.26 3kwf n PRO 674 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3kwf s THR 675 N 0.03 3.05 0.51 0.52 -4.23 -1.26 -4.60 115.64 109.67 3kwf s THR 675 Ca 0.61 -1.89 0.27 0.00 -1.18 0.00 0.00 61.69 59.50 3kwf s THR 675 Cb 0.20 -2.56 0.31 0.00 1.34 0.00 0.00 72.50 71.80 3kwf s THR 675 CO -0.09 -0.23 2.16 -0.65 -0.54 0.00 0.00 174.62 175.27 3kwf h PRO 676 N 2.57 0.00 0.00 3.99 0.11 -1.96 -0.54 132.00 136.17 3kwf h PRO 676 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kwf h PRO 676 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kwf h PRO 676 CO 0.56 0.06 -0.53 -0.85 -0.21 0.00 0.00 178.00 177.03 3kwf n GLU 677 N -3.84 0.21 0.00 1.05 0.00 -1.26 -4.73 120.64 112.08 3kwf n GLU 677 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 57.16 57.21 3kwf n GLU 677 Cb 0.16 -1.64 0.00 0.00 0.00 0.00 0.00 31.44 29.95 3kwf n GLU 677 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3kwf n ASP 678 N -1.96 0.00 -0.60 -1.84 -0.08 -0.60 -5.04 116.55 106.42 3kwf n ASP 678 Ca 0.04 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.34 3kwf n ASP 678 Cb 0.41 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.90 3kwf n ASP 678 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 3kwf n ASN 679 N 0.00 0.52 -0.35 1.67 4.05 -0.55 -4.88 115.26 115.72 3kwf n ASN 679 Ca 0.00 -2.20 0.15 0.00 0.45 0.00 0.00 54.58 52.98 3kwf n ASN 679 Cb 0.00 -0.26 0.35 0.00 1.23 0.00 0.00 39.78 41.11 3kwf n ASN 679 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 3kwf h LEU 680 N 0.19 0.73 -0.26 1.20 5.85 -1.22 -2.77 115.31 119.03 3kwf h LEU 680 Ca -0.04 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3kwf h LEU 680 Cb 1.41 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 3kwf h LEU 680 CO 0.02 0.21 0.15 0.44 -0.34 0.00 0.00 178.44 178.92 3kwf h ASP 681 N 0.69 0.32 0.92 1.25 3.32 -1.90 -0.80 116.42 120.23 3kwf h ASP 681 Ca 0.60 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.49 3kwf h ASP 681 Cb 1.03 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 3kwf h ASP 681 CO -0.41 0.30 -0.43 -0.74 -1.72 0.00 0.00 179.24 176.25 3kwf h HIS 682 N 0.32 0.00 -0.37 4.55 2.76 -1.90 -1.53 115.15 118.98 3kwf h HIS 682 Ca 0.09 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.30 3kwf h HIS 682 Cb 0.05 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 28.97 3kwf h HIS 682 CO -0.04 0.43 0.14 1.88 -1.30 0.00 0.00 177.93 179.04 3kwf h TYR 683 N 0.00 0.25 0.00 5.26 -1.99 -1.17 -2.32 116.97 117.00 3kwf h TYR 683 Ca -0.00 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.70 3kwf h TYR 683 Cb 1.01 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.68 3kwf h TYR 683 CO 0.00 0.11 -0.20 0.00 -0.00 0.00 0.00 178.16 178.07 3kwf h ARG 684 N 0.30 0.00 -0.02 4.88 -0.00 -0.96 -3.22 114.38 115.36 3kwf h ARG 684 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.64 3kwf h ARG 684 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.10 3kwf h ARG 684 CO -0.16 0.20 -0.32 -1.71 0.00 0.00 0.00 179.97 177.98 3kwf n ASN 685 N -3.33 1.82 -0.56 7.04 5.15 -0.59 -4.27 115.26 120.52 3kwf n ASN 685 Ca 0.00 -1.40 0.06 0.00 -0.60 0.00 0.00 54.58 52.64 3kwf n ASN 685 Cb 0.43 0.28 0.19 0.00 -0.53 0.00 0.00 39.78 40.16 3kwf n ASN 685 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3kwf n SER 686 N -0.02 2.17 -4.88 1.20 3.41 -0.90 -5.03 113.62 109.57 3kwf n SER 686 Ca 0.11 -3.59 -0.30 0.00 -0.26 0.00 0.00 58.87 54.84 3kwf n SER 686 Cb 0.44 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 63.85 3kwf n SER 686 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kwf s THR 687 N -3.11 4.81 0.03 6.66 -4.23 -1.26 -4.79 115.64 113.76 3kwf s THR 687 Ca 0.38 0.52 -0.18 0.00 -1.18 0.00 0.00 61.69 61.23 3kwf s THR 687 Cb 0.35 -3.78 -0.20 0.00 1.34 0.00 0.00 72.50 70.21 3kwf s THR 687 CO -0.02 -0.65 1.19 0.58 -0.54 0.00 0.00 174.62 175.18 3kwf h VAL 688 N 0.77 1.38 -0.96 2.29 2.07 -1.12 -3.34 116.25 117.34 3kwf h VAL 688 Ca -0.47 -1.91 0.25 0.00 0.82 0.00 0.00 66.70 65.39 3kwf h VAL 688 Cb 1.19 2.33 -0.13 0.00 -1.52 0.00 0.00 31.29 33.16 3kwf h VAL 688 CO 0.63 0.57 0.50 0.24 0.02 0.00 0.00 177.57 179.52 3kwf h MET 689 N 0.05 0.43 0.00 1.57 2.86 -1.92 -0.93 114.93 116.99 3kwf h MET 689 Ca -0.05 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3kwf h MET 689 Cb 1.21 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.77 3kwf h MET 689 CO 0.11 0.28 0.00 0.66 1.06 0.00 0.00 176.91 179.02 3kwf h SER 690 N 0.44 0.00 -0.52 1.22 4.64 -1.95 -2.01 113.55 115.37 3kwf h SER 690 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 3kwf h SER 690 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3kwf h SER 690 CO -0.53 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 175.97 3kwf n ARG 691 N -2.59 2.43 -0.26 4.77 1.74 -0.36 -4.69 116.66 117.70 3kwf n ARG 691 Ca 0.00 -2.20 0.06 0.00 -0.77 0.00 0.00 57.85 54.95 3kwf n ARG 691 Cb 0.19 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.33 3kwf n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kwf h ALA 692 N 4.28 1.06 -0.84 7.54 0.00 -1.44 -1.64 119.26 128.23 3kwf h ALA 692 Ca 0.00 0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.19 3kwf h ALA 692 Cb 0.87 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 3kwf h ALA 692 CO 0.00 -0.27 0.55 0.93 0.00 0.00 0.00 179.25 180.46 3kwf h GLU 693 N 0.38 0.57 0.00 0.00 4.39 -1.86 -1.75 114.58 116.31 3kwf h GLU 693 Ca 0.43 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.09 3kwf h GLU 693 Cb 0.70 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3kwf h GLU 693 CO -0.45 0.38 0.00 -0.91 -1.16 0.00 0.00 179.01 176.87 3kwf h ASN 694 N 0.59 0.00 0.58 1.42 2.35 -1.58 -2.99 115.58 115.95 3kwf h ASN 694 Ca 0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.17 3kwf h ASN 694 Cb 0.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.14 3kwf h ASN 694 CO -0.17 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.10 3kwf n PHE 695 N -2.78 0.00 0.31 1.19 3.01 -0.66 -2.81 117.46 115.71 3kwf n PHE 695 Ca -0.01 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.62 3kwf n PHE 695 Cb 0.17 -0.40 0.75 0.00 -0.01 0.00 0.00 39.48 39.99 3kwf n PHE 695 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3kwf h LYS 696 N 0.00 0.00 -0.09 -1.08 2.10 -1.72 -2.81 116.57 112.97 3kwf h LYS 696 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kwf h LYS 696 Cb 0.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 3kwf h LYS 696 CO 0.00 0.00 0.00 1.04 -2.00 0.00 0.00 179.45 178.49 3kwf n GLN 697 N -2.78 1.51 -3.95 0.07 6.02 -1.12 -4.94 117.38 112.19 3kwf n GLN 697 Ca -0.00 -0.77 -0.09 0.00 -0.01 0.00 0.00 57.00 56.13 3kwf n GLN 697 Cb 0.20 -1.39 -0.07 0.00 1.02 0.00 0.00 30.24 29.99 3kwf n GLN 697 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3kwf s VAL 698 N -1.88 0.08 -0.20 5.09 -7.23 -1.06 -4.93 120.40 110.26 3kwf s VAL 698 Ca 0.33 -1.36 -0.11 0.00 -1.81 0.00 0.00 61.98 59.03 3kwf s VAL 698 Cb 0.17 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 35.29 3kwf s VAL 698 CO 0.27 -0.35 0.19 -1.61 -0.31 0.00 0.00 175.10 173.29 3kwf s GLU 699 N -3.95 4.18 -0.06 4.82 2.02 -0.82 -4.98 118.70 119.90 3kwf s GLU 699 Ca 0.15 -0.14 0.02 0.00 0.02 0.00 0.00 54.97 55.03 3kwf s GLU 699 Cb 0.04 -3.45 0.01 0.00 0.10 0.00 0.00 34.13 30.82 3kwf s GLU 699 CO -0.02 0.21 -0.11 -0.47 0.02 0.00 0.00 175.26 174.89 3kwf s TYR 700 N 0.60 1.38 -0.16 1.61 5.04 -1.26 -1.60 117.35 122.95 3kwf s TYR 700 Ca 0.10 -0.49 0.00 0.00 -2.44 0.00 0.00 57.07 54.25 3kwf s TYR 700 Cb -0.12 -1.02 0.00 0.00 0.35 0.00 0.00 41.96 41.17 3kwf s TYR 700 CO 0.01 -0.26 -0.17 -1.17 -1.34 0.00 0.00 175.55 172.63 3kwf s LEU 701 N 0.66 2.37 -0.16 6.97 2.96 -0.71 0.04 118.68 130.81 3kwf s LEU 701 Ca -0.14 -0.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.25 3kwf s LEU 701 Cb -0.15 -1.54 0.00 0.00 0.50 0.00 0.00 46.19 45.00 3kwf s LEU 701 CO 0.03 0.06 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.75 3kwf s LEU 702 N 0.97 2.45 -0.03 -0.68 2.96 -0.10 -1.14 118.68 123.11 3kwf s LEU 702 Ca -0.03 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.42 3kwf s LEU 702 Cb -0.15 -1.56 0.00 0.00 0.50 0.00 0.00 46.19 44.98 3kwf s LEU 702 CO -0.03 0.07 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.33 3kwf s ILE 703 N 0.90 0.89 -0.13 6.68 1.01 -0.49 -1.12 121.20 128.94 3kwf s ILE 703 Ca -0.04 -0.42 -0.14 0.00 0.00 0.00 0.00 60.65 60.05 3kwf s ILE 703 Cb -0.15 -0.78 0.04 0.00 0.01 0.00 0.00 42.46 41.58 3kwf s ILE 703 CO -0.02 0.27 0.39 -2.28 0.00 0.00 0.00 174.94 173.31 3kwf s HIS 704 N 0.14 -0.40 0.14 3.97 2.46 -1.04 -0.39 115.29 120.17 3kwf s HIS 704 Ca -0.03 0.95 -0.28 0.00 0.47 0.00 0.00 55.06 56.17 3kwf s HIS 704 Cb -0.09 0.15 -0.07 0.00 -0.13 0.00 0.00 32.58 32.44 3kwf s HIS 704 CO 0.01 -0.25 0.87 0.20 -2.47 0.00 0.00 174.74 173.10 3kwf s GLY 705 N -0.06 2.97 0.33 1.59 0.00 -1.26 -1.43 107.32 109.46 3kwf s GLY 705 Ca -0.02 0.47 0.15 0.00 0.00 0.00 0.00 44.72 45.32 3kwf s GLY 705 CO 0.01 1.16 1.69 -0.91 0.00 0.00 0.00 173.10 175.06 3kwf h THR 706 N 3.64 1.14 -0.86 0.90 1.35 -1.07 -3.06 112.91 114.95 3kwf h THR 706 Ca -0.45 -1.76 -0.47 0.00 -0.55 0.00 0.00 66.41 63.19 3kwf h THR 706 Cb 1.21 2.01 -0.26 0.00 -1.73 0.00 0.00 68.15 69.37 3kwf h THR 706 CO 0.69 0.47 0.59 0.00 -0.25 0.00 0.00 175.52 177.02 3kwf n ALA 707 N -2.36 5.29 -2.29 6.62 0.00 -0.59 -4.69 120.51 122.48 3kwf n ALA 707 Ca -0.01 -2.55 -0.43 0.00 0.00 0.00 0.00 53.44 50.45 3kwf n ALA 707 Cb 0.55 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 3kwf n ALA 707 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kwf s ASP 708 N -1.01 6.21 0.07 0.00 -1.08 -1.16 -4.24 116.67 115.47 3kwf s ASP 708 Ca 0.50 0.82 0.25 0.00 -0.52 0.00 0.00 52.55 53.60 3kwf s ASP 708 Cb 0.41 -2.54 0.49 0.00 -1.46 0.00 0.00 42.92 39.82 3kwf s ASP 708 CO 0.08 -1.54 1.42 -0.90 0.52 0.00 0.00 175.17 174.75 3kwf n ASP 709 N 9.25 0.58 0.00 -0.34 5.75 -1.26 -4.10 116.55 126.43 3kwf n ASP 709 Ca 0.17 0.05 0.00 0.00 -0.01 0.00 0.00 54.79 55.00 3kwf n ASP 709 Cb 0.48 0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 3kwf n ASP 709 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3kwf n ASN 710 N -1.87 0.00 -4.48 -1.12 2.85 -1.26 -4.79 115.26 104.59 3kwf n ASN 710 Ca 0.04 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.08 3kwf n ASN 710 Cb 0.40 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.35 3kwf n ASN 710 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3kwf s VAL 711 N 0.00 4.80 0.46 3.44 1.01 -1.26 -4.85 120.40 124.00 3kwf s VAL 711 Ca 0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 61.98 61.57 3kwf s VAL 711 Cb 0.00 -4.29 -0.07 0.00 0.00 0.00 0.00 36.38 32.02 3kwf s VAL 711 CO 0.00 -0.76 1.18 -1.00 0.00 0.00 0.00 175.10 174.52 3kwf s HIS 712 N 2.85 2.85 0.51 5.22 3.76 -1.26 -4.72 115.29 124.50 3kwf s HIS 712 Ca 0.20 1.52 0.31 0.00 -0.15 0.00 0.00 55.06 56.94 3kwf s HIS 712 Cb -0.16 -3.42 1.44 0.00 1.11 0.00 0.00 32.58 31.55 3kwf s HIS 712 CO 0.15 -1.60 1.84 0.35 -0.85 0.00 0.00 174.74 174.63 3kwf h PHE 713 N 2.08 0.12 -0.97 1.40 3.57 -1.79 0.27 116.94 121.62 3kwf h PHE 713 Ca -0.49 0.00 0.33 0.00 3.53 0.00 0.00 57.97 61.34 3kwf h PHE 713 Cb 1.25 -0.04 -0.17 0.00 2.79 0.00 0.00 35.95 39.79 3kwf h PHE 713 CO 0.53 0.02 0.34 0.37 -2.23 0.00 0.00 178.31 177.34 3kwf h GLN 714 N 0.08 0.10 -0.30 1.11 4.15 -1.94 -0.34 115.11 117.97 3kwf h GLN 714 Ca 0.51 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.95 3kwf h GLN 714 Cb 1.88 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 29.52 3kwf h GLN 714 CO -0.06 0.06 0.13 1.96 -1.93 0.00 0.00 178.83 179.00 3kwf h GLN 715 N 0.10 0.28 0.03 1.69 4.20 -0.77 -1.23 115.11 119.40 3kwf h GLN 715 Ca 0.70 -0.02 -0.21 0.00 0.06 0.00 0.00 58.65 59.18 3kwf h GLN 715 Cb 1.65 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.35 3kwf h GLN 715 CO -0.76 0.18 -0.97 0.77 -0.67 0.00 0.00 178.83 177.38 3kwf h SER 716 N 0.29 0.22 -0.62 1.46 0.02 -1.52 -2.88 113.55 110.52 3kwf h SER 716 Ca 0.13 -0.20 0.10 0.00 -0.84 0.00 0.00 61.79 60.98 3kwf h SER 716 Cb 0.06 -0.07 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 3kwf h SER 716 CO -0.10 1.06 0.21 0.00 -1.14 0.00 0.00 176.83 176.86 3kwf h ALA 717 N 0.92 0.79 -0.25 3.77 0.00 -0.84 -0.86 119.26 122.78 3kwf h ALA 717 Ca -0.05 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 3kwf h ALA 717 Cb 1.65 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 3kwf h ALA 717 CO 0.14 -0.22 -0.42 1.96 0.00 0.00 0.00 179.25 180.71 3kwf h GLN 718 N 0.37 0.61 -0.05 0.00 1.08 -1.21 -2.36 115.11 113.54 3kwf h GLN 718 Ca 0.32 -0.32 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 3kwf h GLN 718 Cb 0.42 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 3kwf h GLN 718 CO -0.34 0.92 -0.02 0.82 -0.95 0.00 0.00 178.83 179.26 3kwf h ILE 719 N 0.49 0.94 -0.71 2.54 2.04 -1.18 -2.04 117.51 119.59 3kwf h ILE 719 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3kwf h ILE 719 Cb 0.94 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 3kwf h ILE 719 CO 0.08 0.00 0.39 0.77 0.00 0.00 0.00 178.15 179.39 3kwf h SER 720 N -0.01 0.88 -0.82 1.72 4.64 -1.13 -1.93 113.55 116.91 3kwf h SER 720 Ca 0.03 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3kwf h SER 720 Cb 0.05 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 61.87 3kwf h SER 720 CO -0.06 0.73 0.50 0.50 -0.87 0.00 0.00 176.83 177.63 3kwf h LYS 721 N 0.97 1.11 -0.81 4.77 3.64 -1.32 -1.42 116.57 123.52 3kwf h LYS 721 Ca 0.25 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 3kwf h LYS 721 Cb 0.04 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.59 3kwf h LYS 721 CO -0.04 0.77 0.34 0.00 -2.27 0.00 0.00 179.45 178.25 3kwf h ALA 722 N 1.27 1.07 -0.44 5.00 0.00 -0.88 -0.35 119.26 124.92 3kwf h ALA 722 Ca 0.30 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3kwf h ALA 722 Cb -0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3kwf h ALA 722 CO -0.06 0.67 -0.23 -0.07 0.00 0.00 0.00 179.25 179.56 3kwf h LEU 723 N 1.17 0.93 -0.25 0.00 3.38 -0.98 -2.98 115.31 116.59 3kwf h LEU 723 Ca 0.27 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3kwf h LEU 723 Cb 0.20 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3kwf h LEU 723 CO -0.02 1.12 0.10 0.58 0.09 0.00 0.00 178.44 180.31 3kwf h VAL 724 N 0.78 1.16 -0.14 1.22 2.07 -1.10 -0.41 116.25 119.84 3kwf h VAL 724 Ca 0.10 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.17 3kwf h VAL 724 Cb 0.79 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3kwf h VAL 724 CO 0.07 0.17 0.19 0.44 0.02 0.00 0.00 177.57 178.46 3kwf h ASP 725 N 0.26 0.00 -0.01 0.57 3.32 -0.97 -2.16 116.42 117.42 3kwf h ASP 725 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3kwf h ASP 725 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3kwf h ASP 725 CO -0.01 0.00 -0.14 0.52 -1.72 0.00 0.00 179.24 177.89 3kwf n VAL 726 N -3.59 0.00 -2.80 -1.35 0.31 -1.10 -5.02 118.33 104.78 3kwf n VAL 726 Ca 0.01 -0.43 -0.08 0.00 -0.01 0.00 0.00 64.34 63.83 3kwf n VAL 726 Cb 0.30 1.17 0.03 0.00 -0.91 0.00 0.00 33.84 34.43 3kwf n VAL 726 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kwf n GLY 727 N 0.83 0.40 3.47 2.92 0.00 -0.55 -4.98 105.19 107.29 3kwf n GLY 727 Ca 0.05 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 3kwf n GLY 727 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kwf s VAL 728 N -3.11 4.16 0.37 1.61 1.01 -0.27 -5.03 120.40 119.13 3kwf s VAL 728 Ca 0.16 -0.24 -0.24 0.00 0.00 0.00 0.00 61.98 61.67 3kwf s VAL 728 Cb -0.07 -2.90 -0.10 0.00 0.00 0.00 0.00 36.38 33.30 3kwf s VAL 728 CO 0.25 0.40 0.94 -0.62 0.00 0.00 0.00 175.10 176.07 3kwf s ASP 729 N 1.12 7.17 0.25 3.32 2.15 -1.26 -4.51 116.67 124.91 3kwf s ASP 729 Ca 0.03 1.77 -0.22 0.00 0.43 0.00 0.00 52.55 54.56 3kwf s ASP 729 Cb -0.14 -2.56 0.03 0.00 -0.30 0.00 0.00 42.92 39.95 3kwf s ASP 729 CO 0.02 -0.19 0.79 0.72 -0.17 0.00 0.00 175.17 176.34 3kwf s PHE 730 N -1.85 -0.16 0.13 -5.34 -0.71 -1.26 -4.78 117.98 104.00 3kwf s PHE 730 Ca 0.55 -0.26 0.05 0.00 -1.04 0.00 0.00 56.93 56.23 3kwf s PHE 730 Cb -0.15 0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 42.32 3kwf s PHE 730 CO 0.19 -1.14 0.05 -0.65 -1.34 0.00 0.00 175.22 172.33 3kwf s GLN 731 N -3.70 2.68 0.11 1.99 -0.21 0.11 -5.01 119.66 115.63 3kwf s GLN 731 Ca 0.12 -0.88 0.02 0.00 0.02 0.00 0.00 55.36 54.63 3kwf s GLN 731 Cb -0.05 -2.56 -0.04 0.00 1.00 0.00 0.00 33.01 31.36 3kwf s GLN 731 CO 0.06 0.51 -0.06 0.00 -2.12 0.00 0.00 175.29 173.68 3kwf s ALA 732 N -1.54 1.05 -0.30 6.09 0.00 -1.26 -0.92 121.76 124.88 3kwf s ALA 732 Ca 0.28 -1.39 -0.12 0.00 0.00 0.00 0.00 51.96 50.73 3kwf s ALA 732 Cb -0.11 0.22 0.13 0.00 0.00 0.00 0.00 23.12 23.36 3kwf s ALA 732 CO 0.20 -0.24 0.76 1.41 0.00 0.00 0.00 175.76 177.89 3kwf s MET 733 N -3.84 0.51 0.22 0.00 0.00 -0.27 -4.88 119.30 111.03 3kwf s MET 733 Ca 0.14 1.21 -0.02 0.00 0.00 0.00 0.00 55.69 57.02 3kwf s MET 733 Cb 0.05 0.65 -0.04 0.00 0.00 0.00 0.00 34.83 35.48 3kwf s MET 733 CO -0.03 -0.16 0.43 1.67 0.00 0.00 0.00 175.02 176.92 3kwf s TRP 734 N 2.57 3.48 -0.29 4.11 -2.14 -1.26 -2.50 118.94 122.91 3kwf s TRP 734 Ca -0.06 0.40 0.03 0.00 2.66 0.00 0.00 56.10 59.14 3kwf s TRP 734 Cb -0.09 -1.90 0.08 0.00 -3.10 0.00 0.00 33.47 28.45 3kwf s TRP 734 CO -0.19 0.33 -0.04 0.71 -2.66 0.00 0.00 176.95 175.11 3kwf s TYR 735 N -1.92 3.42 0.06 1.66 2.02 -0.52 -4.94 117.35 117.13 3kwf s TYR 735 Ca 0.40 -2.58 -0.31 0.00 -0.37 0.00 0.00 57.07 54.21 3kwf s TYR 735 Cb -0.11 -2.33 -0.08 0.00 -0.40 0.00 0.00 41.96 39.04 3kwf s TYR 735 CO 0.29 -0.90 1.64 -0.08 -1.57 0.00 0.00 175.55 174.93 3kwf s THR 736 N 1.04 3.09 0.00 -0.71 -1.32 -1.26 -1.12 115.64 115.35 3kwf s THR 736 Ca -0.00 0.52 0.00 0.00 -1.21 0.00 0.00 61.69 60.99 3kwf s THR 736 Cb -0.19 -3.33 0.00 0.00 -1.51 0.00 0.00 72.50 67.46 3kwf s THR 736 CO -0.07 -0.00 0.00 0.47 -2.21 0.00 0.00 174.62 172.81 3kwf n ASP 737 N 5.65 -1.35 -4.84 8.08 8.00 -1.26 -4.89 116.55 125.94 3kwf n ASP 737 Ca 0.16 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.31 3kwf n ASP 737 Cb 0.41 -0.77 -0.06 0.00 -0.02 0.00 0.00 41.12 40.68 3kwf n ASP 737 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3kwf s GLU 738 N -0.30 4.05 0.00 -1.24 0.41 -1.06 -4.60 118.70 115.97 3kwf s GLU 738 Ca 0.00 0.63 0.00 0.00 -0.41 0.00 0.00 54.97 55.19 3kwf s GLU 738 Cb 0.00 -2.74 0.00 0.00 -1.78 0.00 0.00 34.13 29.61 3kwf s GLU 738 CO 0.00 0.34 0.00 -0.40 -0.49 0.00 0.00 175.26 174.71 3kwf n ASP 739 N 0.33 0.00 0.14 -0.19 5.68 -1.26 -1.55 116.55 119.70 3kwf n ASP 739 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 3kwf n ASP 739 Cb 0.52 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.77 3kwf n ASP 739 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 3kwf h HIS 740 N 0.00 0.09 0.00 2.11 -0.00 -1.92 -2.97 115.15 112.45 3kwf h HIS 740 Ca 0.00 -0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.26 3kwf h HIS 740 Cb 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.38 3kwf h HIS 740 CO 0.00 0.51 -0.41 0.78 -0.00 0.00 0.00 177.93 178.82 3kwf h GLY 741 N 1.34 0.00 -6.91 5.26 0.00 -2.00 -3.48 103.07 97.28 3kwf h GLY 741 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 3kwf h GLY 741 CO 0.06 0.00 -1.03 1.39 0.00 0.00 0.00 176.54 176.96 3kwf n ILE 742 N -3.25 -2.85 0.03 2.60 5.41 -1.12 -4.88 119.36 115.29 3kwf n ILE 742 Ca 0.02 -0.51 0.04 0.00 1.00 0.00 0.00 62.75 63.30 3kwf n ILE 742 Cb 0.66 -2.41 -0.06 0.00 -0.71 0.00 0.00 39.64 37.12 3kwf n ILE 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kwf n ALA 743 N -4.68 2.36 -1.58 -1.39 0.00 -1.26 -3.64 120.51 110.32 3kwf n ALA 743 Ca -0.14 -0.20 -0.44 0.00 0.00 0.00 0.00 53.44 52.66 3kwf n ALA 743 Cb 0.58 -0.28 -0.01 0.00 0.00 0.00 0.00 19.45 19.74 3kwf n ALA 743 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kwf n SER 744 N -1.74 1.08 -0.27 0.00 3.41 -1.26 -4.61 113.62 110.23 3kwf n SER 744 Ca -0.01 1.14 -0.00 0.00 -0.26 0.00 0.00 58.87 59.73 3kwf n SER 744 Cb 0.20 -1.28 0.12 0.00 -0.26 0.00 0.00 64.21 63.00 3kwf n SER 744 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3kwf h SER 745 N 1.81 0.68 -0.46 4.04 4.64 -1.99 0.64 113.55 122.91 3kwf h SER 745 Ca -0.40 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 3kwf h SER 745 Cb 1.35 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 3kwf h SER 745 CO 0.59 0.43 0.18 0.71 -0.87 0.00 0.00 176.83 177.87 3kwf h THR 746 N 0.81 1.21 -0.30 2.95 1.35 -1.98 -1.62 112.91 115.33 3kwf h THR 746 Ca 0.34 -0.66 -0.05 0.00 -0.55 0.00 0.00 66.41 65.49 3kwf h THR 746 Cb 0.19 0.77 -0.01 0.00 -1.73 0.00 0.00 68.15 67.38 3kwf h THR 746 CO -0.18 0.24 -0.03 0.00 -0.25 0.00 0.00 175.52 175.30 3kwf h ALA 747 N 1.03 0.40 -0.23 6.62 0.00 -1.72 0.32 119.26 125.68 3kwf h ALA 747 Ca 0.15 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3kwf h ALA 747 Cb 0.21 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3kwf h ALA 747 CO -0.01 0.18 -0.01 1.25 0.00 0.00 0.00 179.25 180.66 3kwf h HIS 748 N 0.32 -0.02 -0.92 0.00 2.76 -0.87 0.12 115.15 116.55 3kwf h HIS 748 Ca 0.08 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 3kwf h HIS 748 Cb 0.48 0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.44 3kwf h HIS 748 CO 0.04 -0.04 0.54 1.96 -1.30 0.00 0.00 177.93 179.14 3kwf h GLN 749 N 0.06 1.26 -0.40 5.26 4.20 -1.20 -2.90 115.11 121.38 3kwf h GLN 749 Ca 0.11 -0.12 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 3kwf h GLN 749 Cb 0.14 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3kwf h GLN 749 CO -0.19 0.89 -0.20 1.25 -0.67 0.00 0.00 178.83 179.91 3kwf h HIS 750 N 1.27 0.99 -0.27 2.96 2.76 -0.16 -2.22 115.15 120.48 3kwf h HIS 750 Ca 0.33 -0.25 -0.04 0.00 -2.20 0.00 0.00 60.37 58.21 3kwf h HIS 750 Cb -0.04 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.69 3kwf h HIS 750 CO 0.01 1.02 0.01 0.97 -1.30 0.00 0.00 177.93 178.63 3kwf h ILE 751 N 0.67 1.25 -0.12 6.26 2.10 -0.73 -1.71 117.51 125.22 3kwf h ILE 751 Ca 0.09 -0.89 -0.12 0.00 1.08 0.00 0.00 64.86 65.02 3kwf h ILE 751 Cb 0.77 1.31 -0.01 0.00 -1.09 0.00 0.00 36.82 37.79 3kwf h ILE 751 CO 0.06 0.28 -0.44 1.88 -1.08 0.00 0.00 178.15 178.85 3kwf h TYR 752 N 0.25 0.35 -0.38 2.19 0.05 -1.56 -0.22 116.97 117.65 3kwf h TYR 752 Ca 0.08 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 3kwf h TYR 752 Cb 0.40 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 3kwf h TYR 752 CO 0.03 0.69 0.21 1.15 -1.05 0.00 0.00 178.16 179.19 3kwf h THR 753 N 0.24 1.15 -0.54 -2.88 2.02 -1.35 -1.29 112.91 110.26 3kwf h THR 753 Ca 0.02 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 3kwf h THR 753 Cb 0.88 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 3kwf h THR 753 CO 0.07 0.15 0.10 -0.74 0.37 0.00 0.00 175.52 175.47 3kwf h HIS 754 N 0.49 0.95 -0.07 3.16 -0.00 -0.90 -2.33 115.15 116.45 3kwf h HIS 754 Ca 0.13 -0.13 -0.13 0.00 -0.00 0.00 0.00 60.37 60.24 3kwf h HIS 754 Cb 0.06 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.19 3kwf h HIS 754 CO -0.03 0.84 -0.55 0.52 -0.00 0.00 0.00 177.93 178.71 3kwf h MET 755 N 0.78 0.20 -0.17 5.26 2.07 -1.05 -2.60 114.93 119.42 3kwf h MET 755 Ca 0.17 -0.12 -0.00 0.00 -2.07 0.00 0.00 59.70 57.67 3kwf h MET 755 Cb 0.39 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.13 3kwf h MET 755 CO 0.01 0.70 0.10 0.77 1.07 0.00 0.00 176.91 179.56 3kwf h SER 756 N 0.15 0.21 -0.79 1.22 0.02 -0.97 -1.72 113.55 111.67 3kwf h SER 756 Ca -0.00 -0.07 0.10 0.00 -0.84 0.00 0.00 61.79 60.98 3kwf h SER 756 Cb 1.03 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 63.44 3kwf h SER 756 CO 0.08 0.22 0.44 0.45 -1.14 0.00 0.00 176.83 176.88 3kwf h HIS 757 N 0.18 0.79 -0.13 3.45 3.86 -1.37 -0.85 115.15 121.09 3kwf h HIS 757 Ca 0.06 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 3kwf h HIS 757 Cb 0.05 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.28 3kwf h HIS 757 CO -0.04 0.31 -0.01 0.35 0.86 0.00 0.00 177.93 179.40 3kwf h PHE 758 N 0.73 0.25 -0.48 2.45 3.04 -1.27 -2.12 116.94 119.55 3kwf h PHE 758 Ca 0.39 -0.05 -0.04 0.00 3.98 0.00 0.00 57.97 62.25 3kwf h PHE 758 Cb 0.37 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.80 3kwf h PHE 758 CO -0.07 0.48 0.14 0.82 -2.02 0.00 0.00 178.31 177.67 3kwf h ILE 759 N -0.05 1.23 -0.50 1.41 1.08 -1.22 -1.35 117.51 118.10 3kwf h ILE 759 Ca 0.03 -0.77 0.02 0.00 -0.39 0.00 0.00 64.86 63.76 3kwf h ILE 759 Cb 0.39 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 3kwf h ILE 759 CO 0.01 0.28 0.31 0.11 -0.69 0.00 0.00 178.15 178.17 3kwf h LYS 760 N 0.64 0.60 -0.02 2.37 1.57 -1.12 -0.56 116.57 120.06 3kwf h LYS 760 Ca 0.15 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.75 3kwf h LYS 760 Cb 0.28 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3kwf h LYS 760 CO -0.00 0.40 -0.69 -0.56 -0.57 0.00 0.00 179.45 178.02 3kwf h GLN 761 N 0.62 0.09 -0.58 3.15 -0.00 -1.33 0.43 115.11 117.49 3kwf h GLN 761 Ca 0.20 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.65 58.76 3kwf h GLN 761 Cb -0.00 0.02 -0.03 0.00 -0.00 0.00 0.00 27.48 27.46 3kwf h GLN 761 CO -0.08 0.75 0.31 0.00 -0.00 0.00 0.00 178.83 179.81 3kwf n PHE 763 N -4.38 0.27 -3.37 0.00 3.72 -0.24 -4.96 117.46 108.49 3kwf n PHE 763 Ca 0.05 -0.13 -0.23 0.00 -0.05 0.00 0.00 57.45 57.09 3kwf n PHE 763 Cb 0.10 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.71 3kwf n PHE 763 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3kwf n SER 764 N 1.20 -6.19 -4.58 4.37 7.64 -0.35 -5.00 113.62 110.71 3kwf n SER 764 Ca 0.17 -0.44 -0.39 0.00 1.01 0.00 0.00 58.87 59.23 3kwf n SER 764 Cb 0.55 -4.89 -0.10 0.00 -1.01 0.00 0.00 64.21 58.76 3kwf n SER 764 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3kwf s LEU 765 N -6.91 4.13 0.00 -3.43 1.43 0.14 -5.01 118.68 109.02 3kwf s LEU 765 Ca 0.48 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 3kwf s LEU 765 Cb -0.21 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 43.80 3kwf s LEU 765 CO 0.59 -0.13 0.48 -0.81 0.23 0.00 0.00 176.35 176.71