#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iit n SER 2 N 0.00 4.76 -4.77 1.61 3.41 -1.26 -4.97 113.62 112.40 1iit n SER 2 Ca 0.00 -2.65 -0.36 0.00 -0.26 0.00 0.00 58.87 55.61 1iit n SER 2 Cb 0.00 -0.58 0.01 0.00 -0.26 0.00 0.00 64.21 63.39 1iit n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iit s ALA 3 N -2.20 2.69 0.19 7.33 0.00 -1.26 -4.93 121.76 123.58 1iit s ALA 3 Ca 0.49 0.92 -0.32 0.00 0.00 0.00 0.00 51.96 53.05 1iit s ALA 3 Cb 0.34 -3.40 -0.15 0.00 0.00 0.00 0.00 23.12 19.91 1iit s ALA 3 CO 0.19 -0.91 1.20 -0.12 0.00 0.00 0.00 175.76 176.12 1iit n MET 4 N -1.27 1.33 -2.66 0.00 1.56 -1.26 -4.72 117.12 110.09 1iit n MET 4 Ca 0.12 0.47 -0.36 0.00 -0.27 0.00 0.00 57.70 57.66 1iit n MET 4 Cb 0.50 -1.99 -0.05 0.00 2.15 0.00 0.00 33.22 33.83 1iit n MET 4 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1iit s ALA 5 N -0.22 3.13 0.21 -5.12 0.00 -1.26 -4.67 121.76 113.83 1iit s ALA 5 Ca 0.71 0.60 -0.29 0.00 0.00 0.00 0.00 51.96 52.99 1iit s ALA 5 Cb -0.81 -3.23 -0.08 0.00 0.00 0.00 0.00 23.12 19.00 1iit s ALA 5 CO 0.52 -0.03 0.91 -0.51 0.00 0.00 0.00 175.76 176.65 1iit s LEU 6 N -2.47 4.62 -0.52 0.00 1.43 0.17 -4.84 118.68 117.08 1iit s LEU 6 Ca 0.55 1.86 -0.23 0.00 -1.03 0.00 0.00 54.13 55.28 1iit s LEU 6 Cb -0.19 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.53 1iit s LEU 6 CO 0.25 0.14 0.86 -0.54 0.23 0.00 0.00 176.35 177.28 1iit s LYS 7 N -1.00 3.33 -0.42 1.70 1.02 -1.26 -0.98 119.74 122.12 1iit s LYS 7 Ca 0.41 -0.30 -0.13 0.00 0.02 0.00 0.00 55.97 55.97 1iit s LYS 7 Cb -0.25 -4.03 0.05 0.00 -0.52 0.00 0.00 37.83 33.08 1iit s LYS 7 CO 0.30 -1.35 0.30 0.08 -0.92 0.00 0.00 175.35 173.76 1iit s VAL 8 N 3.60 4.86 0.26 3.17 1.01 0.25 -0.51 120.40 133.05 1iit s VAL 8 Ca 0.28 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 1iit s VAL 8 Cb -0.13 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 1iit s VAL 8 CO 0.19 -0.43 1.03 -0.83 0.00 0.00 0.00 175.10 175.06 1iit s GLY 9 N 2.06 3.09 -0.08 4.51 0.00 0.04 -0.66 107.32 116.28 1iit s GLY 9 Ca 0.03 0.77 0.03 0.00 0.00 0.00 0.00 44.72 45.56 1iit s GLY 9 CO 0.06 1.36 -0.17 0.14 0.00 0.00 0.00 173.10 174.49 1iit s VAL 10 N -1.18 1.50 -0.05 1.40 1.01 -0.25 -0.95 120.40 121.88 1iit s VAL 10 Ca 0.43 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 1iit s VAL 10 Cb -0.29 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 34.79 1iit s VAL 10 CO 0.37 0.44 0.34 0.54 0.00 0.00 0.00 175.10 176.78 1iit s VAL 11 N 0.48 0.04 0.00 2.92 0.11 -1.04 -0.33 120.40 122.58 1iit s VAL 11 Ca -0.15 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 1iit s VAL 11 Cb -0.16 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.09 1iit s VAL 11 CO 0.05 -0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.26 1iit n GLY 12 N 1.73 1.05 3.39 6.54 0.00 -1.26 -4.04 105.19 112.59 1iit n GLY 12 Ca -0.19 -2.01 -0.19 0.00 0.00 0.00 0.00 46.02 43.63 1iit n GLY 12 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1iit s ASN 13 N 0.00 2.15 0.62 1.61 0.01 -1.26 -4.71 114.94 113.37 1iit s ASN 13 Ca 0.00 -1.28 -0.19 0.00 -0.71 0.00 0.00 52.86 50.68 1iit s ASN 13 Cb 0.00 -0.05 -0.02 0.00 0.41 0.00 0.00 41.25 41.59 1iit s ASN 13 CO 0.00 -0.53 1.30 -2.84 -1.51 0.00 0.00 177.10 173.52 1iit s PRO 14 N -3.86 2.70 0.00 -0.60 0.02 -0.56 -1.55 135.00 131.15 1iit s PRO 14 Ca 0.32 2.07 0.23 0.00 0.02 0.00 0.00 61.00 63.65 1iit s PRO 14 Cb 0.07 -1.93 1.17 0.00 0.02 0.00 0.00 34.50 33.83 1iit s PRO 14 CO 0.12 -1.48 1.78 -0.35 -0.33 0.00 0.00 177.00 176.74 1iit n PRO 15 N -1.71 1.30 0.08 5.54 -0.04 -1.26 -4.13 135.00 134.78 1iit n PRO 15 Ca 0.15 -0.44 -0.15 0.00 -0.04 0.00 0.00 63.50 63.02 1iit n PRO 15 Cb 0.48 -1.39 -0.08 0.00 -0.04 0.00 0.00 33.50 32.47 1iit n PRO 15 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1iit h PHE 16 N 0.95 0.58 -3.27 0.54 -1.00 -1.66 -1.87 116.94 111.20 1iit h PHE 16 Ca 0.00 -0.35 -0.23 0.00 2.81 0.00 0.00 57.97 60.19 1iit h PHE 16 Cb 0.21 -0.05 -0.31 0.00 3.61 0.00 0.00 35.95 39.41 1iit h PHE 16 CO 0.03 1.21 -0.59 0.08 -1.61 0.00 0.00 178.31 177.43 1iit s VAL 17 N -3.03 -0.04 0.05 -0.55 1.01 -0.59 -1.22 120.40 116.03 1iit s VAL 17 Ca -0.05 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.15 1iit s VAL 17 Cb 0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 1iit s VAL 17 CO 0.88 0.06 -0.20 -0.36 0.00 0.00 0.00 175.10 175.48 1iit s PHE 18 N 0.98 1.72 -0.31 5.22 0.40 0.24 -1.50 117.98 124.73 1iit s PHE 18 Ca -0.08 -0.38 -0.02 0.00 -0.60 0.00 0.00 56.93 55.85 1iit s PHE 18 Cb -0.10 -1.01 0.05 0.00 0.51 0.00 0.00 43.02 42.48 1iit s PHE 18 CO -0.05 0.10 0.02 0.71 0.70 0.00 0.00 175.22 176.71 1iit s TYR 19 N -0.88 3.28 0.00 0.36 1.51 -1.26 -2.31 117.35 118.05 1iit s TYR 19 Ca 0.06 -1.85 0.00 0.00 -1.01 0.00 0.00 57.07 54.27 1iit s TYR 19 Cb -0.09 -2.19 0.00 0.00 -0.11 0.00 0.00 41.96 39.57 1iit s TYR 19 CO 0.02 -0.80 0.00 0.41 -1.11 0.00 0.00 175.55 174.07 1iit n GLY 20 N 4.64 1.63 0.10 0.71 0.00 -1.26 -4.99 105.19 106.02 1iit n GLY 20 Ca -0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 1iit n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iit n ALA 26 N -3.00 0.82 -3.74 4.61 0.00 -1.26 -5.14 120.51 112.79 1iit n ALA 26 Ca 0.00 -0.73 -0.16 0.00 0.00 0.00 0.00 53.44 52.55 1iit n ALA 26 Cb 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 19.45 19.26 1iit n ALA 26 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1iit s PHE 27 N -2.58 0.01 0.32 0.00 0.40 -1.26 -4.96 117.98 109.90 1iit s PHE 27 Ca -0.27 0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.30 1iit s PHE 27 Cb 0.06 -0.28 -0.02 0.00 0.51 0.00 0.00 43.02 43.29 1iit s PHE 27 CO 0.40 -0.13 0.34 0.95 0.70 0.00 0.00 175.22 177.49 1iit s THR 28 N 1.38 0.00 0.00 0.64 -4.23 -0.98 -4.98 115.64 107.48 1iit s THR 28 Ca -0.05 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 1iit s THR 28 Cb -0.13 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.17 1iit s THR 28 CO -0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1iit n GLY 29 N -0.56 2.38 0.22 3.99 0.00 -1.26 -0.60 105.19 109.37 1iit n GLY 29 Ca 0.04 -2.11 -0.01 0.00 0.00 0.00 0.00 46.02 43.95 1iit n GLY 29 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1iit h ILE 30 N 0.00 0.49 -0.89 -0.61 2.04 -0.98 -0.22 117.51 117.34 1iit h ILE 30 Ca 0.00 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1iit h ILE 30 Cb 0.00 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 1iit h ILE 30 CO 0.00 0.01 0.55 0.28 0.00 0.00 0.00 178.15 178.99 1iit h SER 31 N 0.07 1.05 0.44 1.72 0.02 -1.44 -1.53 113.55 113.88 1iit h SER 31 Ca 0.29 -0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 61.06 1iit h SER 31 Cb 0.46 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1iit h SER 31 CO -0.53 0.80 -0.56 -0.07 -1.14 0.00 0.00 176.83 175.33 1iit h LEU 32 N 1.22 0.14 -0.47 5.07 -0.00 -1.30 -1.41 115.31 118.55 1iit h LEU 32 Ca 0.32 -0.07 -0.13 0.00 -0.00 0.00 0.00 57.88 58.00 1iit h LEU 32 Cb -0.07 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.54 1iit h LEU 32 CO -0.06 0.67 -0.21 0.44 -0.00 0.00 0.00 178.44 179.27 1iit h ASP 33 N 0.10 1.00 0.16 -0.43 3.32 -0.52 -0.50 116.42 119.55 1iit h ASP 33 Ca -0.00 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 1iit h ASP 33 Cb 1.01 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1iit h ASP 33 CO 0.08 1.18 -0.08 0.58 -1.72 0.00 0.00 179.24 179.28 1iit h VAL 34 N 0.83 0.95 -0.49 -1.35 2.07 -1.15 -1.89 116.25 115.22 1iit h VAL 34 Ca 0.11 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1iit h VAL 34 Cb 0.79 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1iit h VAL 34 CO 0.07 0.12 0.32 -0.25 0.02 0.00 0.00 177.57 177.85 1iit h TRP 35 N -0.47 0.62 -0.79 1.57 2.91 -1.26 -2.25 115.95 116.29 1iit h TRP 35 Ca -0.02 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 59.99 1iit h TRP 35 Cb 0.36 -0.21 -0.04 0.00 -0.51 0.00 0.00 29.16 28.77 1iit h TRP 35 CO 0.01 0.40 0.43 0.00 -1.03 0.00 0.00 178.44 178.25 1iit h ARG 36 N 0.66 1.10 -0.82 2.65 3.08 -1.07 0.10 114.38 120.09 1iit h ARG 36 Ca 0.18 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 1iit h ARG 36 Cb -0.06 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 29.73 1iit h ARG 36 CO -0.04 0.82 0.36 0.00 -1.07 0.00 0.00 179.97 180.04 1iit h ALA 37 N 1.36 1.06 0.14 0.04 0.00 -1.06 0.14 119.26 120.94 1iit h ALA 37 Ca 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1iit h ALA 37 Cb 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1iit h ALA 37 CO -0.04 0.66 -0.07 0.28 0.00 0.00 0.00 179.25 180.08 1iit h VAL 38 N 1.18 0.99 -0.59 0.00 2.07 -0.77 -1.75 116.25 117.38 1iit h VAL 38 Ca 0.28 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1iit h VAL 38 Cb 0.17 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1iit h VAL 38 CO -0.03 0.13 0.39 0.00 0.02 0.00 0.00 177.57 178.08 1iit h ALA 39 N 0.38 0.75 -0.82 1.67 0.00 -0.62 -2.72 119.26 117.90 1iit h ALA 39 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1iit h ALA 39 Cb 0.35 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1iit h ALA 39 CO 0.03 0.17 0.46 0.93 0.00 0.00 0.00 179.25 180.85 1iit h GLU 40 N 0.79 1.14 0.00 0.00 5.08 -0.71 0.51 114.58 121.38 1iit h GLU 40 Ca 0.22 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1iit h GLU 40 Cb -0.08 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 28.94 1iit h GLU 40 CO -0.05 0.83 -0.07 0.66 -1.00 0.00 0.00 179.01 179.37 1iit h SER 41 N 1.14 0.00 -0.10 1.42 4.64 -1.00 -1.95 113.55 117.70 1iit h SER 41 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1iit h SER 41 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1iit h SER 41 CO -0.05 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1iit n GLN 42 N -3.68 1.51 -3.44 4.77 1.13 -0.81 -4.98 117.38 111.88 1iit n GLN 42 Ca -0.02 -1.60 -0.24 0.00 -1.94 0.00 0.00 57.00 53.19 1iit n GLN 42 Cb 0.18 -1.32 0.06 0.00 0.11 0.00 0.00 30.24 29.26 1iit n GLN 42 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1iit n LYS 43 N 0.92 -6.52 -3.08 -1.09 2.85 -0.07 -4.98 118.16 106.19 1iit n LYS 43 Ca 0.11 0.81 -0.31 0.00 -1.05 0.00 0.00 58.31 57.87 1iit n LYS 43 Cb 0.42 -5.78 -0.05 0.00 -0.65 0.00 0.00 35.03 28.98 1iit n LYS 43 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1iit s TRP 44 N -3.26 3.42 -0.07 5.58 0.51 -0.03 -4.72 118.94 120.38 1iit s TRP 44 Ca 0.50 1.07 -0.04 0.00 -2.12 0.00 0.00 56.10 55.50 1iit s TRP 44 Cb -0.23 -2.43 -0.04 0.00 -0.81 0.00 0.00 33.47 29.96 1iit s TRP 44 CO 0.62 0.05 0.12 -0.80 -0.51 0.00 0.00 176.95 176.42 1iit s ASN 45 N -2.68 6.11 0.12 2.95 0.01 -1.26 -4.67 114.94 115.52 1iit s ASN 45 Ca 0.51 0.35 0.08 0.00 -0.71 0.00 0.00 52.86 53.09 1iit s ASN 45 Cb -0.10 -1.90 -0.04 0.00 0.41 0.00 0.00 41.25 39.62 1iit s ASN 45 CO 0.24 0.35 -0.19 -0.44 -1.51 0.00 0.00 177.10 175.55 1iit s SER 46 N -1.31 2.47 -0.24 -1.22 0.01 -1.26 -0.65 113.70 111.49 1iit s SER 46 Ca 0.19 -0.75 -0.02 0.00 1.31 0.00 0.00 55.95 56.67 1iit s SER 46 Cb -0.12 -0.13 0.08 0.00 0.21 0.00 0.00 66.02 66.05 1iit s SER 46 CO 0.08 -0.00 0.06 -0.70 0.41 0.00 0.00 173.24 173.09 1iit s GLU 47 N -2.27 0.72 0.00 12.44 2.12 -0.16 -4.84 118.70 126.71 1iit s GLU 47 Ca 0.09 -0.69 -0.23 0.00 0.36 0.00 0.00 54.97 54.50 1iit s GLU 47 Cb -0.08 -2.04 -0.05 0.00 0.26 0.00 0.00 34.13 32.21 1iit s GLU 47 CO 0.05 -0.78 0.68 0.71 -0.54 0.00 0.00 175.26 175.38 1iit s TYR 48 N 1.76 3.68 -0.19 5.30 1.51 -1.26 -0.58 117.35 127.58 1iit s TYR 48 Ca 0.03 1.32 -0.01 0.00 -1.01 0.00 0.00 57.07 57.39 1iit s TYR 48 Cb -0.17 -2.73 0.05 0.00 -0.11 0.00 0.00 41.96 39.00 1iit s TYR 48 CO -0.16 0.27 -0.01 0.08 -1.11 0.00 0.00 175.55 174.62 1iit s VAL 49 N 0.06 0.92 0.25 0.71 1.01 0.17 -4.95 120.40 118.57 1iit s VAL 49 Ca 0.35 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 1iit s VAL 49 Cb -0.19 -1.25 -0.11 0.00 0.00 0.00 0.00 36.38 34.83 1iit s VAL 49 CO 0.20 -0.05 1.55 -0.60 0.00 0.00 0.00 175.10 176.20 1iit s ARG 50 N 1.69 4.19 0.02 2.72 3.52 -1.26 -1.09 118.95 128.73 1iit s ARG 50 Ca -0.01 2.45 0.00 0.00 -0.13 0.00 0.00 55.73 58.04 1iit s ARG 50 Cb -0.17 -3.08 -0.04 0.00 -1.56 0.00 0.00 34.95 30.11 1iit s ARG 50 CO -0.07 -0.57 0.11 -0.65 -0.81 0.00 0.00 175.30 173.30 1iit s GLN 51 N 0.02 3.11 0.20 5.12 -1.52 0.55 -4.81 119.66 122.33 1iit s GLN 51 Ca 0.64 -0.51 -0.07 0.00 -1.95 0.00 0.00 55.36 53.48 1iit s GLN 51 Cb -0.45 -2.88 0.14 0.00 -0.22 0.00 0.00 33.01 29.60 1iit s GLN 51 CO 0.42 0.63 1.67 -0.97 -0.25 0.00 0.00 175.29 176.78 1iit h ASN 52 N 3.78 0.97 -5.12 5.90 -1.24 -1.95 -3.44 115.58 114.49 1iit h ASN 52 Ca -0.48 -0.27 0.01 0.00 0.71 0.00 0.00 56.30 56.26 1iit h ASN 52 Cb 1.18 -0.26 -0.07 0.00 0.73 0.00 0.00 38.32 39.90 1iit h ASN 52 CO 0.65 1.03 0.06 -0.94 -1.29 0.00 0.00 177.43 176.95 1iit s SER 53 N -6.61 -0.18 0.12 1.15 1.04 -1.26 -5.03 113.70 102.93 1iit s SER 53 Ca -0.11 -0.76 -0.18 0.00 0.48 0.00 0.00 55.95 55.38 1iit s SER 53 Cb 0.14 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.88 1iit s SER 53 CO 0.85 -1.25 1.66 0.40 0.98 0.00 0.00 173.24 175.88 1iit h ILE 54 N 2.12 1.18 -0.07 -1.02 2.04 -1.91 -1.23 117.51 118.63 1iit h ILE 54 Ca -0.22 -0.57 -0.09 0.00 1.00 0.00 0.00 64.86 64.98 1iit h ILE 54 Cb 1.25 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1iit h ILE 54 CO 0.29 0.20 -0.35 0.77 0.00 0.00 0.00 178.15 179.05 1iit h SER 55 N 0.36 0.14 -0.43 1.72 4.64 -1.97 0.47 113.55 118.48 1iit h SER 55 Ca 0.11 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.28 1iit h SER 55 Cb 0.19 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1iit h SER 55 CO -0.01 0.49 -0.08 0.00 -0.87 0.00 0.00 176.83 176.36 1iit h ALA 56 N 1.52 0.59 -0.31 5.18 0.00 -1.92 -1.94 119.26 122.38 1iit h ALA 56 Ca 0.01 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1iit h ALA 56 Cb 0.69 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1iit h ALA 56 CO 0.05 0.45 -0.28 0.78 0.00 0.00 0.00 179.25 180.26 1iit h GLY 57 N 0.64 0.68 1.12 0.00 0.00 -0.70 -2.11 103.07 102.70 1iit h GLY 57 Ca 0.11 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.75 1iit h GLY 57 CO 0.04 0.54 -0.05 -2.22 0.00 0.00 0.00 176.54 174.85 1iit h ILE 58 N 0.54 1.27 -0.38 2.60 2.04 -0.75 -2.24 117.51 120.58 1iit h ILE 58 Ca 0.07 -1.20 -0.08 0.00 1.00 0.00 0.00 64.86 64.64 1iit h ILE 58 Cb 0.75 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1iit h ILE 58 CO 0.06 0.43 -0.11 0.74 0.00 0.00 0.00 178.15 179.27 1iit h THR 59 N 0.94 1.25 0.00 -0.27 2.02 -1.23 -1.21 112.91 114.41 1iit h THR 59 Ca 0.16 -1.11 -0.06 0.00 0.77 0.00 0.00 66.41 66.17 1iit h THR 59 Cb 0.61 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1iit h THR 59 CO 0.04 0.37 -0.28 0.00 0.37 0.00 0.00 175.52 176.03 1iit h ALA 60 N 1.27 1.26 0.16 6.16 0.00 -1.08 -0.30 119.26 126.73 1iit h ALA 60 Ca 0.11 -0.25 -0.25 0.00 0.00 0.00 0.00 54.91 54.52 1iit h ALA 60 Cb 0.55 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.32 1iit h ALA 60 CO 0.03 0.35 -1.08 0.28 0.00 0.00 0.00 179.25 178.84 1iit h VAL 61 N 0.00 1.40 -0.50 0.00 2.07 -0.81 0.47 116.25 118.88 1iit h VAL 61 Ca -0.00 -2.54 -0.04 0.00 0.82 0.00 0.00 66.70 64.94 1iit h VAL 61 Cb 0.60 3.03 -0.02 0.00 -1.52 0.00 0.00 31.29 33.37 1iit h VAL 61 CO 0.04 0.74 0.15 0.00 0.02 0.00 0.00 177.57 178.51 1iit h ALA 62 N 0.15 1.33 -0.10 1.67 0.00 -1.01 -2.12 119.26 119.17 1iit h ALA 62 Ca -0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1iit h ALA 62 Cb 1.83 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1iit h ALA 62 CO 0.20 0.49 0.00 -0.85 0.00 0.00 0.00 179.25 179.09 1iit n GLU 63 N -4.31 1.44 -0.99 0.00 0.28 -0.14 -4.91 120.64 112.01 1iit n GLU 63 Ca 0.04 -0.66 0.00 0.00 -0.16 0.00 0.00 57.16 56.38 1iit n GLU 63 Cb 0.20 -1.34 0.00 0.00 1.43 0.00 0.00 31.44 31.73 1iit n GLU 63 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1iit n GLY 64 N 0.98 0.35 0.21 -1.84 0.00 -0.80 -4.87 105.19 99.21 1iit n GLY 64 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 1iit n GLY 64 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1iit h GLU 65 N 0.73 0.00 -5.02 1.61 5.08 -0.38 -3.44 114.58 113.16 1iit h GLU 65 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 1iit h GLU 65 Cb 0.33 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.37 1iit h GLU 65 CO 0.00 0.25 -0.76 -0.51 -1.00 0.00 0.00 179.01 176.99 1iit s LEU 66 N -6.60 2.29 0.03 1.33 1.43 -0.18 -4.94 118.68 112.05 1iit s LEU 66 Ca 0.02 -0.63 0.16 0.00 -1.03 0.00 0.00 54.13 52.65 1iit s LEU 66 Cb 0.09 -0.36 -0.16 0.00 0.03 0.00 0.00 46.19 45.79 1iit s LEU 66 CO 0.66 -0.15 0.79 0.47 0.23 0.00 0.00 176.35 178.34 1iit n ASP 67 N 1.22 0.88 -3.54 2.29 8.00 0.33 -4.43 116.55 121.29 1iit n ASP 67 Ca -0.21 0.40 -0.17 0.00 0.71 0.00 0.00 54.79 55.52 1iit n ASP 67 Cb 0.55 0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.66 1iit n ASP 67 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1iit s ILE 68 N -2.83 0.00 -0.20 0.53 2.07 -1.08 -4.21 121.20 115.48 1iit s ILE 68 Ca -0.03 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.19 1iit s ILE 68 Cb 0.08 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.68 1iit s ILE 68 CO 0.81 0.00 -0.11 -0.22 -1.91 0.00 0.00 174.94 173.52 1iit s LEU 69 N -0.90 2.60 0.20 8.50 2.96 0.07 -0.78 118.68 131.32 1iit s LEU 69 Ca -0.08 -0.48 0.09 0.00 -0.22 0.00 0.00 54.13 53.44 1iit s LEU 69 Cb -0.01 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 1iit s LEU 69 CO 0.08 0.00 -0.07 0.27 -1.32 0.00 0.00 176.35 175.31 1iit s ILE 70 N 1.31 3.28 -5.00 6.68 -4.36 -0.13 -1.21 121.20 121.77 1iit s ILE 70 Ca 0.04 -1.72 0.00 0.00 -0.26 0.00 0.00 60.65 58.71 1iit s ILE 70 Cb -0.14 -2.66 0.00 0.00 1.25 0.00 0.00 42.46 40.91 1iit s ILE 70 CO -0.06 -0.18 0.00 0.61 0.24 0.00 0.00 174.94 175.55 1iit n GLY 71 N -0.22 0.52 2.65 6.27 0.00 -1.26 -2.50 105.19 110.66 1iit n GLY 71 Ca -0.09 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 1iit n GLY 71 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1iit n PRO 72 N -1.38 2.96 -3.13 1.61 -0.04 -1.26 -4.63 135.00 129.14 1iit n PRO 72 Ca 0.00 -2.47 -0.42 0.00 -0.04 0.00 0.00 63.50 60.57 1iit n PRO 72 Cb 0.00 -3.16 -0.07 0.00 -0.04 0.00 0.00 33.50 30.23 1iit n PRO 72 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1iit s ILE 73 N 3.06 4.87 0.21 0.52 1.01 -1.26 -4.97 121.20 124.64 1iit s ILE 73 Ca 0.52 0.24 -0.30 0.00 0.00 0.00 0.00 60.65 61.11 1iit s ILE 73 Cb 0.15 -4.14 -0.09 0.00 0.01 0.00 0.00 42.46 38.38 1iit s ILE 73 CO -0.07 -0.48 1.42 -0.44 0.00 0.00 0.00 174.94 175.37 1iit s SER 74 N 1.92 6.72 -0.55 3.58 0.01 -1.26 -1.18 113.70 122.95 1iit s SER 74 Ca 0.22 2.56 -0.24 0.00 1.31 0.00 0.00 55.95 59.80 1iit s SER 74 Cb -0.14 -2.61 0.04 0.00 0.21 0.00 0.00 66.02 63.52 1iit s SER 74 CO 0.17 -0.67 0.92 -0.69 0.41 0.00 0.00 173.24 173.39 1iit s VAL 75 N 0.29 4.42 0.22 3.43 1.01 -0.38 -4.89 120.40 124.50 1iit s VAL 75 Ca 0.61 0.23 0.11 0.00 0.00 0.00 0.00 61.98 62.93 1iit s VAL 75 Cb -0.40 -4.52 -0.05 0.00 0.00 0.00 0.00 36.38 31.41 1iit s VAL 75 CO 0.39 -1.09 -0.22 0.42 0.00 0.00 0.00 175.10 174.59 1iit s THR 76 N 3.87 2.37 0.22 3.92 -4.23 -1.26 -4.69 115.64 115.84 1iit s THR 76 Ca 0.29 -2.16 -0.07 0.00 -1.18 0.00 0.00 61.69 58.57 1iit s THR 76 Cb -0.13 -2.17 0.17 0.00 1.34 0.00 0.00 72.50 71.71 1iit s THR 76 CO 0.19 -0.22 1.80 -0.65 -0.54 0.00 0.00 174.62 175.20 1iit h PRO 77 N 2.88 0.68 -0.80 3.99 0.11 -1.98 -0.24 132.00 136.64 1iit h PRO 77 Ca -0.44 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1iit h PRO 77 Cb 1.23 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1iit h PRO 77 CO 0.52 0.45 0.40 0.93 -0.21 0.00 0.00 178.00 180.09 1iit h GLU 78 N 0.70 1.14 -0.00 1.05 3.07 -1.99 -1.37 114.58 117.18 1iit h GLU 78 Ca 0.34 -0.16 -0.25 0.00 -0.50 0.00 0.00 59.36 58.79 1iit h GLU 78 Cb 0.27 -0.21 0.01 0.00 -0.84 0.00 0.00 28.75 27.98 1iit h GLU 78 CO -0.22 0.87 -1.00 0.00 -1.40 0.00 0.00 179.01 177.26 1iit h ARG 79 N 1.14 0.57 0.00 2.33 3.08 -1.79 -3.07 114.38 116.64 1iit h ARG 79 Ca 0.28 -0.61 -0.02 0.00 0.07 0.00 0.00 59.98 59.70 1iit h ARG 79 Cb 0.09 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1iit h ARG 79 CO -0.04 1.23 -0.08 0.00 -1.07 0.00 0.00 179.97 180.01 1iit h ALA 80 N 0.56 1.12 0.00 0.04 0.00 -0.84 -2.34 119.26 117.80 1iit h ALA 80 Ca -0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1iit h ALA 80 Cb 1.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1iit h ALA 80 CO 0.19 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1iit h ALA 81 N 1.92 1.00 -2.54 0.00 0.00 -1.15 -3.46 119.26 115.03 1iit h ALA 81 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.38 1iit h ALA 81 Cb 0.37 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.20 1iit h ALA 81 CO 0.01 0.00 1.08 0.42 0.00 0.00 0.00 179.25 180.76 1iit s ILE 82 N -3.17 2.44 0.33 0.00 1.01 -0.88 -4.93 121.20 116.00 1iit s ILE 82 Ca 0.09 0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.51 1iit s ILE 82 Cb 0.10 -3.04 -0.11 0.00 0.01 0.00 0.00 42.46 39.42 1iit s ILE 82 CO 0.61 0.00 1.46 -1.83 0.00 0.00 0.00 174.94 175.18 1iit s GLU 83 N 2.36 4.19 0.00 2.79 4.04 -1.26 -3.34 118.70 127.48 1iit s GLU 83 Ca 0.79 2.46 0.00 0.00 0.04 0.00 0.00 54.97 58.26 1iit s GLU 83 Cb -0.47 -3.02 0.00 0.00 0.02 0.00 0.00 34.13 30.66 1iit s GLU 83 CO 0.35 -0.46 0.00 0.41 -1.84 0.00 0.00 175.26 173.72 1iit n GLY 84 N 1.07 1.26 3.43 -3.83 0.00 -1.26 -4.86 105.19 101.00 1iit n GLY 84 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 1iit n GLY 84 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iit s ILE 85 N -2.79 1.79 -0.08 -0.61 -5.25 -1.21 -0.74 121.20 112.30 1iit s ILE 85 Ca 0.00 -2.18 -0.11 0.00 -0.99 0.00 0.00 60.65 57.37 1iit s ILE 85 Cb 0.00 -2.37 0.03 0.00 2.95 0.00 0.00 42.46 43.06 1iit s ILE 85 CO 0.00 -0.36 0.29 0.28 -1.79 0.00 0.00 174.94 173.36 1iit s THR 86 N -2.92 0.02 0.25 8.37 -1.32 -0.48 -4.45 115.64 115.11 1iit s THR 86 Ca 0.28 -0.15 -0.09 0.00 -1.21 0.00 0.00 61.69 60.52 1iit s THR 86 Cb 0.02 -0.46 -0.07 0.00 -1.51 0.00 0.00 72.50 70.48 1iit s THR 86 CO 0.12 -0.08 0.57 -0.36 -2.21 0.00 0.00 174.62 172.66 1iit s PHE 87 N -0.26 3.43 0.94 9.09 0.40 -1.26 -1.11 117.98 129.21 1iit s PHE 87 Ca -0.04 0.86 -0.15 0.00 -0.60 0.00 0.00 56.93 57.00 1iit s PHE 87 Cb -0.03 -2.26 0.19 0.00 0.51 0.00 0.00 43.02 41.42 1iit s PHE 87 CO 0.01 0.22 1.30 0.95 0.70 0.00 0.00 175.22 178.40 1iit s THR 88 N -1.90 2.01 0.52 0.64 -4.23 -0.39 -4.93 115.64 107.36 1iit s THR 88 Ca 0.47 -0.02 -0.21 0.00 -1.18 0.00 0.00 61.69 60.75 1iit s THR 88 Cb -0.11 -2.99 -0.06 0.00 1.34 0.00 0.00 72.50 70.69 1iit s THR 88 CO 0.23 0.00 1.23 -1.10 -0.54 0.00 0.00 174.62 174.44 1iit s GLN 89 N -5.83 3.37 0.48 3.99 -1.52 -1.26 -4.62 119.66 114.27 1iit s GLN 89 Ca 0.73 1.90 -0.23 0.00 -1.95 0.00 0.00 55.36 55.81 1iit s GLN 89 Cb -0.05 -2.22 -0.07 0.00 -0.22 0.00 0.00 33.01 30.46 1iit s GLN 89 CO 0.52 -0.91 1.28 -2.14 -0.25 0.00 0.00 175.29 173.80 1iit s PRO 90 N -2.95 3.54 0.00 2.91 0.02 -1.26 -4.62 135.00 132.64 1iit s PRO 90 Ca 0.70 2.06 0.04 0.00 0.02 0.00 0.00 61.00 63.82 1iit s PRO 90 Cb -0.32 -2.42 -0.02 0.00 0.02 0.00 0.00 34.50 31.76 1iit s PRO 90 CO 0.37 -0.82 0.34 2.48 -0.33 0.00 0.00 177.00 179.05 1iit n TYR 91 N -0.59 0.00 -3.66 6.54 0.18 0.47 -4.97 117.16 115.13 1iit n TYR 91 Ca 0.08 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.71 1iit n TYR 91 Cb 0.46 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.34 1iit n TYR 91 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 1iit s PHE 92 N -1.04 -0.54 -0.33 -3.48 5.36 -1.24 -4.99 117.98 111.73 1iit s PHE 92 Ca 0.03 1.17 -0.05 0.00 -0.96 0.00 0.00 56.93 57.12 1iit s PHE 92 Cb 0.03 0.24 0.04 0.00 -0.34 0.00 0.00 43.02 42.99 1iit s PHE 92 CO 0.13 -0.39 0.07 0.45 -1.46 0.00 0.00 175.22 174.02 1iit s SER 93 N -0.37 5.16 0.26 6.13 0.15 -1.26 -0.20 113.70 123.57 1iit s SER 93 Ca -0.05 -1.20 0.09 0.00 0.70 0.00 0.00 55.95 55.49 1iit s SER 93 Cb -0.03 -1.81 -0.04 0.00 -1.71 0.00 0.00 66.02 62.43 1iit s SER 93 CO 0.04 -0.30 0.06 -0.55 1.20 0.00 0.00 173.24 173.69 1iit s SER 94 N 1.35 4.87 0.15 5.45 0.15 0.05 -4.94 113.70 120.78 1iit s SER 94 Ca -0.03 -0.51 0.09 0.00 0.70 0.00 0.00 55.95 56.20 1iit s SER 94 Cb -0.20 -1.03 -0.04 0.00 -1.71 0.00 0.00 66.02 63.04 1iit s SER 94 CO 0.01 -0.01 -0.16 -0.83 1.20 0.00 0.00 173.24 173.45 1iit s GLY 95 N -3.73 1.71 -0.23 9.45 0.00 -1.26 0.20 107.32 113.45 1iit s GLY 95 Ca 0.32 -1.42 -0.10 0.00 0.00 0.00 0.00 44.72 43.52 1iit s GLY 95 CO 0.22 -1.42 0.15 -0.42 0.00 0.00 0.00 173.10 171.63 1iit s ILE 96 N -1.39 5.35 0.00 0.90 -1.09 -0.42 -0.58 121.20 123.98 1iit s ILE 96 Ca 0.21 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.80 1iit s ILE 96 Cb -0.10 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 1iit s ILE 96 CO 0.12 0.36 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 1iit n GLY 97 N 4.16 6.72 2.90 6.18 0.00 0.17 -0.87 105.19 124.45 1iit n GLY 97 Ca -0.15 -1.92 -0.15 0.00 0.00 0.00 0.00 46.02 43.79 1iit n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1iit s LEU 98 N 0.00 1.74 -0.23 0.99 1.43 -1.26 -2.22 118.68 119.14 1iit s LEU 98 Ca 0.00 -0.06 -0.05 0.00 -1.03 0.00 0.00 54.13 52.99 1iit s LEU 98 Cb 0.00 -0.20 -0.02 0.00 0.03 0.00 0.00 46.19 46.00 1iit s LEU 98 CO 0.00 -0.00 0.01 -0.22 0.23 0.00 0.00 176.35 176.37 1iit s LEU 99 N 0.27 3.16 0.19 1.79 2.96 -0.03 -1.49 118.68 125.52 1iit s LEU 99 Ca -0.03 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.62 1iit s LEU 99 Cb -0.05 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 1iit s LEU 99 CO -0.01 -0.01 -0.02 0.27 -1.32 0.00 0.00 176.35 175.26 1iit s ILE 100 N 1.46 0.89 0.54 6.68 -4.36 0.33 -1.41 121.20 125.34 1iit s ILE 100 Ca 0.05 -2.01 -0.20 0.00 -0.26 0.00 0.00 60.65 58.23 1iit s ILE 100 Cb -0.15 -2.14 -0.05 0.00 1.25 0.00 0.00 42.46 41.37 1iit s ILE 100 CO 0.00 -0.48 1.20 -2.84 0.24 0.00 0.00 174.94 173.06 1iit s PRO 101 N -3.86 3.28 0.48 0.37 0.02 -1.26 -0.17 135.00 133.85 1iit s PRO 101 Ca 0.24 1.82 0.24 0.00 0.02 0.00 0.00 61.00 63.32 1iit s PRO 101 Cb 0.05 -2.11 1.28 0.00 0.02 0.00 0.00 34.50 33.74 1iit s PRO 101 CO 0.05 -0.96 1.90 0.78 -0.33 0.00 0.00 177.00 178.44 1iit h GLY 102 N 1.33 0.38 2.00 0.52 0.00 -1.78 -1.06 103.07 104.45 1iit h GLY 102 Ca -0.50 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 46.72 1iit h GLY 102 CO 0.57 0.00 -0.14 -0.91 0.00 0.00 0.00 176.54 176.06 1iit h THR 103 N 0.18 0.29 -0.02 4.70 1.35 -1.90 -3.21 112.91 114.31 1iit h THR 103 Ca 0.40 -1.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1iit h THR 103 Cb 1.29 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 1iit h THR 103 CO -0.08 0.14 0.00 0.00 -0.25 0.00 0.00 175.52 175.33 1iit n ALA 104 N -2.15 2.64 -0.28 6.62 0.00 -0.40 -4.39 120.51 122.54 1iit n ALA 104 Ca 0.02 -0.26 0.10 0.00 0.00 0.00 0.00 53.44 53.29 1iit n ALA 104 Cb 0.48 -1.37 0.24 0.00 0.00 0.00 0.00 19.45 18.80 1iit n ALA 104 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1iit h THR 105 N 0.68 0.33 -0.03 0.00 2.02 -1.65 -0.10 112.91 114.15 1iit h THR 105 Ca 0.00 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 1iit h THR 105 Cb 0.15 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1iit h THR 105 CO 0.00 0.03 -0.20 -0.65 0.37 0.00 0.00 175.52 175.08 1iit h PRO 106 N 0.17 0.05 -0.05 6.66 0.11 -1.89 -3.09 132.00 133.96 1iit h PRO 106 Ca 0.50 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.49 1iit h PRO 106 Cb 0.96 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1iit h PRO 106 CO -0.66 0.25 -0.46 -0.07 -0.21 0.00 0.00 178.00 176.85 1iit h LEU 107 N 0.05 0.13 -7.53 2.35 3.38 -1.33 -3.39 115.31 108.98 1iit h LEU 107 Ca 0.01 -0.06 -0.72 0.00 0.09 0.00 0.00 57.88 57.20 1iit h LEU 107 Cb 0.38 -0.04 -0.33 0.00 0.09 0.00 0.00 40.66 40.76 1iit h LEU 107 CO 0.03 0.57 -0.17 -0.36 0.09 0.00 0.00 178.44 178.60 1iit s PHE 108 N -4.02 3.64 -0.50 1.13 0.40 -1.17 -4.82 117.98 112.65 1iit s PHE 108 Ca -0.03 -2.69 0.12 0.00 -0.60 0.00 0.00 56.93 53.72 1iit s PHE 108 Cb 0.13 -3.34 -0.14 0.00 0.51 0.00 0.00 43.02 40.18 1iit s PHE 108 CO 0.76 -0.84 0.48 0.54 0.70 0.00 0.00 175.22 176.86 1iit n ARG 109 N 3.17 2.71 -3.73 0.44 5.12 -1.26 -4.81 116.66 118.30 1iit n ARG 109 Ca 0.14 -0.01 -0.05 0.00 -1.93 0.00 0.00 57.85 55.99 1iit n ARG 109 Cb 0.39 -1.09 -0.02 0.00 -1.16 0.00 0.00 32.46 30.58 1iit n ARG 109 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1iit s SER 110 N -2.29 -0.25 0.52 0.55 1.04 -1.26 -4.89 113.70 107.12 1iit s SER 110 Ca 0.03 -0.39 0.21 0.00 0.48 0.00 0.00 55.95 56.28 1iit s SER 110 Cb 0.09 0.55 1.37 0.00 0.10 0.00 0.00 66.02 68.13 1iit s SER 110 CO 0.49 -1.00 2.12 -0.37 0.98 0.00 0.00 173.24 175.47 1iit h VAL 111 N 2.00 0.84 0.00 5.02 -1.51 -1.97 -1.76 116.25 118.88 1iit h VAL 111 Ca -0.23 -0.27 -0.02 0.00 -1.23 0.00 0.00 66.70 64.95 1iit h VAL 111 Cb 1.24 1.15 -0.00 0.00 -2.13 0.00 0.00 31.29 31.55 1iit h VAL 111 CO 0.26 0.07 -0.10 1.23 -1.23 0.00 0.00 177.57 177.80 1iit h GLY 112 N 0.29 0.00 1.98 5.19 0.00 -1.95 -1.29 103.07 107.28 1iit h GLY 112 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1iit h GLY 112 CO 0.01 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.77 1iit n ASP 113 N -3.72 0.00 0.11 0.19 10.43 -0.66 -3.49 116.55 119.42 1iit n ASP 113 Ca -0.02 0.47 -0.02 0.00 2.57 0.00 0.00 54.79 57.79 1iit n ASP 113 Cb 0.21 -0.49 0.20 0.00 1.84 0.00 0.00 41.12 42.88 1iit n ASP 113 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1iit h LEU 114 N 0.00 0.17 -9.29 0.64 3.38 -1.35 -3.43 115.31 105.43 1iit h LEU 114 Ca 0.00 -0.08 -0.66 0.00 0.09 0.00 0.00 57.88 57.22 1iit h LEU 114 Cb 0.40 -0.05 0.04 0.00 0.09 0.00 0.00 40.66 41.14 1iit h LEU 114 CO 0.00 0.65 0.73 1.17 0.09 0.00 0.00 178.44 181.08 1iit n LYS 115 N -3.95 1.52 -0.06 1.13 4.81 -1.20 -1.78 118.16 118.64 1iit n LYS 115 Ca -0.02 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1iit n LYS 115 Cb 0.54 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.32 1iit n LYS 115 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1iit n ASN 116 N 3.99 0.00 -4.73 3.14 3.02 -0.52 -4.89 115.26 115.27 1iit n ASN 116 Ca 0.21 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.34 1iit n ASN 116 Cb 0.21 -0.51 -0.04 0.00 -0.61 0.00 0.00 39.78 38.83 1iit n ASN 116 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1iit s LYS 117 N -0.02 4.57 -0.71 3.52 3.01 -0.73 -4.36 119.74 125.02 1iit s LYS 117 Ca 0.00 1.69 -0.26 0.00 -1.01 0.00 0.00 55.97 56.39 1iit s LYS 117 Cb 0.00 -3.31 -0.07 0.00 -1.01 0.00 0.00 37.83 33.44 1iit s LYS 117 CO 0.00 0.02 2.16 -1.21 0.51 0.00 0.00 175.35 176.83 1iit s GLU 118 N 0.00 2.20 -0.22 1.68 0.41 -1.26 -0.79 118.70 120.73 1iit s GLU 118 Ca 0.51 0.51 -0.09 0.00 -0.41 0.00 0.00 54.97 55.49 1iit s GLU 118 Cb -0.28 -4.73 -0.05 0.00 -1.78 0.00 0.00 34.13 27.29 1iit s GLU 118 CO 0.33 -3.51 0.12 0.08 -0.49 0.00 0.00 175.26 171.79 1iit s VAL 119 N 11.65 5.12 0.02 2.63 1.01 -0.80 -0.39 120.40 139.64 1iit s VAL 119 Ca 0.82 0.09 -0.19 0.00 0.00 0.00 0.00 61.98 62.70 1iit s VAL 119 Cb -0.12 -3.35 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 1iit s VAL 119 CO 0.12 0.40 0.54 0.00 0.00 0.00 0.00 175.10 176.16 1iit s ALA 120 N 0.77 3.57 0.05 5.51 0.00 -0.33 -1.29 121.76 130.04 1iit s ALA 120 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1iit s ALA 120 Cb -0.13 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 1iit s ALA 120 CO 0.02 0.32 -0.04 0.14 0.00 0.00 0.00 175.76 176.20 1iit s VAL 121 N -0.70 0.29 -0.02 0.00 -7.23 -0.80 -0.83 120.40 111.12 1iit s VAL 121 Ca 0.28 -1.48 -0.17 0.00 -1.81 0.00 0.00 61.98 58.80 1iit s VAL 121 Cb -0.18 -1.07 -0.05 0.00 0.56 0.00 0.00 36.38 35.64 1iit s VAL 121 CO 0.17 -0.76 0.48 -0.69 -0.31 0.00 0.00 175.10 173.98 1iit s VAL 122 N -2.86 5.01 0.54 1.32 1.01 -1.26 -0.72 120.40 123.43 1iit s VAL 122 Ca -0.01 0.99 -0.21 0.00 0.00 0.00 0.00 61.98 62.75 1iit s VAL 122 Cb 0.00 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 1iit s VAL 122 CO -0.05 0.48 1.16 -2.11 0.00 0.00 0.00 175.10 174.57 1iit n ARG 123 N 2.48 1.37 -2.67 2.72 1.85 -0.01 -3.24 116.66 119.15 1iit n ARG 123 Ca -0.10 0.51 -0.22 0.00 -1.00 0.00 0.00 57.85 57.04 1iit n ARG 123 Cb 0.52 -2.33 0.01 0.00 -1.05 0.00 0.00 32.46 29.61 1iit n ARG 123 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1iit n ASP 124 N -0.58 -6.03 -4.44 2.89 2.03 -1.26 -5.00 116.55 104.15 1iit n ASP 124 Ca 0.11 -0.14 -0.23 0.00 0.52 0.00 0.00 54.79 55.06 1iit n ASP 124 Cb 0.44 -4.96 -0.10 0.00 -0.72 0.00 0.00 41.12 35.78 1iit n ASP 124 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1iit s THR 125 N -3.11 2.17 0.50 5.18 -4.23 -1.20 -4.58 115.64 110.37 1iit s THR 125 Ca 0.13 -2.30 0.32 0.00 -1.18 0.00 0.00 61.69 58.66 1iit s THR 125 Cb -0.06 -2.30 0.35 0.00 1.34 0.00 0.00 72.50 71.83 1iit s THR 125 CO 0.16 -0.41 2.19 0.71 -0.54 0.00 0.00 174.62 176.73 1iit h THR 126 N 2.31 0.42 -0.09 3.99 1.35 -1.95 -2.39 112.91 116.55 1iit h THR 126 Ca -0.40 -0.25 0.01 0.00 -0.55 0.00 0.00 66.41 65.22 1iit h THR 126 Cb 1.25 1.17 -0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1iit h THR 126 CO 0.63 0.05 0.06 0.00 -0.25 0.00 0.00 175.52 176.01 1iit h ALA 127 N 1.95 2.01 -0.23 6.62 0.00 -1.89 -1.82 119.26 125.90 1iit h ALA 127 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1iit h ALA 127 Cb 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1iit h ALA 127 CO 0.01 -0.02 0.14 0.28 0.00 0.00 0.00 179.25 179.66 1iit h VAL 128 N 0.06 1.08 -0.50 0.00 2.07 -1.68 0.70 116.25 117.99 1iit h VAL 128 Ca 0.04 -0.19 -0.13 0.00 0.82 0.00 0.00 66.70 67.24 1iit h VAL 128 Cb 0.07 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1iit h VAL 128 CO -0.00 0.08 -0.19 0.44 0.02 0.00 0.00 177.57 177.92 1iit h ASP 129 N 0.30 1.03 -0.16 0.57 3.32 -1.56 -1.86 116.42 118.06 1iit h ASP 129 Ca 0.08 -0.38 -0.11 0.00 0.02 0.00 0.00 57.03 56.64 1iit h ASP 129 Cb 0.00 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1iit h ASP 129 CO -0.02 1.18 -0.28 -0.50 -1.72 0.00 0.00 179.24 177.90 1iit h TRP 130 N 0.87 0.73 -0.55 4.55 -0.00 -1.19 -0.24 115.95 120.11 1iit h TRP 130 Ca 0.12 -0.17 -0.11 0.00 -0.00 0.00 0.00 58.89 58.72 1iit h TRP 130 Cb 0.77 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.16 29.74 1iit h TRP 130 CO 0.05 0.85 -0.11 0.00 -0.00 0.00 0.00 178.44 179.24 1iit h ALA 131 N 1.14 0.75 -0.36 1.49 0.00 -0.73 -1.52 119.26 120.03 1iit h ALA 131 Ca 0.07 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 1iit h ALA 131 Cb 0.76 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1iit h ALA 131 CO 0.06 0.67 -0.38 -0.91 0.00 0.00 0.00 179.25 178.68 1iit h ASN 132 N 0.92 0.97 -0.26 0.00 2.35 -1.20 -1.73 115.58 116.62 1iit h ASN 132 Ca 0.14 -0.47 -0.03 0.00 -0.55 0.00 0.00 56.30 55.39 1iit h ASN 132 Cb 0.68 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1iit h ASN 132 CO 0.05 1.24 0.07 0.15 -1.65 0.00 0.00 177.43 177.29 1iit h PHE 133 N 0.71 0.52 -0.40 1.19 3.57 -0.85 -1.85 116.94 119.83 1iit h PHE 133 Ca 0.06 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1iit h PHE 133 Cb 0.98 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1iit h PHE 133 CO 0.07 0.47 0.00 0.66 -2.23 0.00 0.00 178.31 177.27 1iit n TYR 134 N -4.33 0.57 -2.31 0.41 4.02 -0.59 -4.93 117.16 109.99 1iit n TYR 134 Ca 0.02 -0.28 -0.21 0.00 -0.01 0.00 0.00 57.90 57.42 1iit n TYR 134 Cb 0.19 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.48 1iit n TYR 134 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1iit n GLN 135 N 0.68 -1.63 -1.27 -0.72 6.02 -0.70 -3.25 117.38 116.50 1iit n GLN 135 Ca 0.14 1.03 -0.29 0.00 -0.01 0.00 0.00 57.00 57.87 1iit n GLN 135 Cb 0.36 -5.66 0.18 0.00 1.02 0.00 0.00 30.24 26.15 1iit n GLN 135 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1iit s ALA 136 N -3.01 1.10 -1.14 -1.58 0.00 -0.66 -1.44 121.76 115.04 1iit s ALA 136 Ca 0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 51.96 51.26 1iit s ALA 136 Cb 0.00 -3.03 0.20 0.00 0.00 0.00 0.00 23.12 20.28 1iit s ALA 136 CO 0.00 -2.86 1.29 0.34 0.00 0.00 0.00 175.76 174.52 1iit s ASP 137 N -3.74 7.07 0.18 0.00 -1.08 0.03 -4.61 116.67 114.52 1iit s ASP 137 Ca 0.66 -3.02 -0.32 0.00 -0.52 0.00 0.00 52.55 49.36 1iit s ASP 137 Cb -0.15 -2.34 -0.10 0.00 -1.46 0.00 0.00 42.92 38.86 1iit s ASP 137 CO 0.56 -0.66 1.58 -0.69 0.52 0.00 0.00 175.17 176.48 1iit s VAL 138 N 0.93 2.53 -0.30 1.11 1.01 -1.26 -1.90 120.40 122.52 1iit s VAL 138 Ca 0.37 0.38 -0.00 0.00 0.00 0.00 0.00 61.98 62.74 1iit s VAL 138 Cb -0.05 -3.25 0.10 0.00 0.00 0.00 0.00 36.38 33.18 1iit s VAL 138 CO -0.03 0.03 0.08 0.00 0.00 0.00 0.00 175.10 175.18 1iit s ARG 139 N 1.05 0.88 0.28 2.72 3.03 -0.41 -4.95 118.95 121.54 1iit s ARG 139 Ca 0.70 -1.15 -0.29 0.00 2.03 0.00 0.00 55.73 57.02 1iit s ARG 139 Cb -0.45 -2.21 -0.09 0.00 -1.03 0.00 0.00 34.95 31.17 1iit s ARG 139 CO 0.32 -0.94 1.07 -1.21 -1.13 0.00 0.00 175.30 173.41 1iit s GLU 140 N 1.51 4.66 0.19 3.89 2.02 -1.26 -1.90 118.70 127.81 1iit s GLU 140 Ca 0.08 1.74 0.04 0.00 0.02 0.00 0.00 54.97 56.85 1iit s GLU 140 Cb -0.18 -3.18 -0.05 0.00 0.10 0.00 0.00 34.13 30.83 1iit s GLU 140 CO -0.21 0.26 -0.06 0.95 0.02 0.00 0.00 175.26 176.22 1iit s THR 141 N -1.19 1.18 0.19 3.63 -4.23 0.10 -4.93 115.64 110.39 1iit s THR 141 Ca 0.44 -2.07 0.16 0.00 -1.18 0.00 0.00 61.69 59.05 1iit s THR 141 Cb -0.30 -2.09 0.08 0.00 1.34 0.00 0.00 72.50 71.53 1iit s THR 141 CO 0.39 -0.54 1.68 0.78 -0.54 0.00 0.00 174.62 176.39 1iit h ASN 142 N 2.61 0.00 -5.08 3.99 2.35 -1.95 0.00 115.58 117.51 1iit h ASN 142 Ca -0.37 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.40 1iit h ASN 142 Cb 1.21 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.52 1iit h ASN 142 CO 0.64 0.45 0.12 0.54 -1.65 0.00 0.00 177.43 177.54 1iit s ASN 143 N -6.56 -0.19 0.26 5.81 2.20 -1.26 -4.69 114.94 110.51 1iit s ASN 143 Ca -0.00 -0.73 -0.04 0.00 -0.94 0.00 0.00 52.86 51.15 1iit s ASN 143 Cb 0.11 0.69 0.32 0.00 -2.00 0.00 0.00 41.25 40.37 1iit s ASN 143 CO 0.71 -1.30 1.83 0.25 -2.94 0.00 0.00 177.10 175.66 1iit h LEU 144 N 2.08 0.93 -0.94 3.54 5.85 -1.96 -1.71 115.31 123.09 1iit h LEU 144 Ca -0.22 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 1iit h LEU 144 Cb 1.25 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1iit h LEU 144 CO 0.27 0.83 0.46 0.74 -0.34 0.00 0.00 178.44 180.41 1iit h THR 145 N 0.99 1.25 -0.43 1.05 2.02 -1.98 0.41 112.91 116.22 1iit h THR 145 Ca 0.23 -0.64 -0.13 0.00 0.77 0.00 0.00 66.41 66.65 1iit h THR 145 Cb 0.19 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1iit h THR 145 CO -0.02 0.29 -0.23 0.00 0.37 0.00 0.00 175.52 175.93 1iit h ALA 146 N 1.30 0.78 -0.31 6.16 0.00 -1.88 0.20 119.26 125.50 1iit h ALA 146 Ca 0.30 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1iit h ALA 146 Cb 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1iit h ALA 146 CO -0.05 0.66 -0.32 0.00 0.00 0.00 0.00 179.25 179.54 1iit h ALA 147 N 0.97 0.85 0.03 0.00 0.00 -0.81 -2.61 119.26 117.69 1iit h ALA 147 Ca 0.10 -0.41 -0.21 0.00 0.00 0.00 0.00 54.91 54.39 1iit h ALA 147 Cb 0.78 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1iit h ALA 147 CO 0.06 0.64 -0.98 0.82 0.00 0.00 0.00 179.25 179.79 1iit h ILE 148 N 0.57 1.58 0.00 0.00 2.04 -0.75 -2.95 117.51 118.00 1iit h ILE 148 Ca 0.06 -3.00 -0.04 0.00 1.00 0.00 0.00 64.86 62.88 1iit h ILE 148 Cb 0.83 2.69 -0.01 0.00 -0.74 0.00 0.00 36.82 39.60 1iit h ILE 148 CO 0.07 0.87 -0.20 0.74 0.00 0.00 0.00 178.15 179.63 1iit h THR 149 N 0.05 0.82 0.00 -0.27 2.02 -0.49 0.33 112.91 115.38 1iit h THR 149 Ca -0.05 -0.77 -0.15 0.00 0.77 0.00 0.00 66.41 66.21 1iit h THR 149 Cb 1.68 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 69.53 1iit h THR 149 CO 0.14 0.19 -0.70 -0.07 0.37 0.00 0.00 175.52 175.46 1iit h LEU 150 N 0.00 0.00 0.23 2.58 4.07 -1.39 -2.26 115.31 118.54 1iit h LEU 150 Ca -0.00 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.63 1iit h LEU 150 Cb 0.44 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.22 1iit h LEU 150 CO 0.03 0.70 -1.45 0.25 -1.08 0.00 0.00 178.44 176.88 1iit h LEU 151 N 0.00 0.76 -1.23 1.67 5.85 -1.09 -2.93 115.31 118.35 1iit h LEU 151 Ca -0.01 -0.83 0.03 0.00 0.84 0.00 0.00 57.88 57.92 1iit h LEU 151 Cb 1.43 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.17 1iit h LEU 151 CO 0.09 1.65 0.53 1.56 -0.34 0.00 0.00 178.44 181.94 1iit h GLN 152 N 0.13 0.98 0.00 1.25 4.20 -0.35 -3.36 115.11 117.96 1iit h GLN 152 Ca -0.24 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.41 1iit h GLN 152 Cb 2.14 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 29.70 1iit h GLN 152 CO 0.26 0.65 0.00 1.63 -0.67 0.00 0.00 178.83 180.70 1iit n LYS 153 N -4.45 0.00 -2.70 1.46 5.02 -0.86 -5.05 118.16 111.59 1iit n LYS 153 Ca 0.10 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.35 1iit n LYS 153 Cb 0.11 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.16 1iit n LYS 153 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1iit n LYS 154 N 0.00 0.29 0.00 1.97 4.01 -1.19 -4.98 118.16 118.26 1iit n LYS 154 Ca 0.00 -1.18 0.00 0.00 -0.51 0.00 0.00 58.31 56.62 1iit n LYS 154 Cb 0.00 -0.50 0.00 0.00 -0.51 0.00 0.00 35.03 34.02 1iit n LYS 154 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1iit n GLN 155 N 2.37 0.91 -4.24 1.97 6.02 -1.11 -5.07 117.38 118.23 1iit n GLN 155 Ca 0.11 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.81 1iit n GLN 155 Cb 0.64 -0.72 -0.10 0.00 1.02 0.00 0.00 30.24 31.08 1iit n GLN 155 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1iit s VAL 156 N -1.43 3.31 -2.28 5.09 -7.23 -1.24 -4.85 120.40 111.77 1iit s VAL 156 Ca 0.00 -1.38 0.25 0.00 -1.81 0.00 0.00 61.98 59.04 1iit s VAL 156 Cb 0.00 -2.57 0.22 0.00 0.56 0.00 0.00 36.38 34.59 1iit s VAL 156 CO 0.00 0.05 1.38 -0.62 -0.31 0.00 0.00 175.10 175.61 1iit n GLU 157 N 0.52 1.46 -3.61 4.82 1.02 0.48 -4.74 120.64 120.60 1iit n GLU 157 Ca -0.13 -1.08 -0.03 0.00 -0.02 0.00 0.00 57.16 55.91 1iit n GLU 157 Cb 0.53 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.46 1iit n GLU 157 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1iit s ALA 158 N -2.28 -2.04 -0.09 0.62 0.00 -1.20 -4.61 121.76 112.16 1iit s ALA 158 Ca 0.26 0.99 0.01 0.00 0.00 0.00 0.00 51.96 53.22 1iit s ALA 158 Cb 0.19 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.57 1iit s ALA 158 CO 0.45 -0.84 -0.10 0.08 0.00 0.00 0.00 175.76 175.35 1iit s VAL 159 N -2.64 1.13 -0.24 0.00 1.01 -0.50 -1.18 120.40 117.99 1iit s VAL 159 Ca 0.11 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 1iit s VAL 159 Cb 0.01 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1iit s VAL 159 CO -0.04 0.37 0.13 -0.32 0.00 0.00 0.00 175.10 175.24 1iit s MET 160 N 1.19 3.95 0.16 2.72 1.75 -0.01 -0.85 119.30 128.22 1iit s MET 160 Ca -0.04 -0.33 -0.25 0.00 -1.25 0.00 0.00 55.69 53.82 1iit s MET 160 Cb -0.14 -3.45 0.06 0.00 2.84 0.00 0.00 34.83 34.14 1iit s MET 160 CO -0.03 0.02 0.94 0.12 -0.65 0.00 0.00 175.02 175.42 1iit s PHE 161 N 1.14 -0.14 0.09 4.11 5.36 -0.94 -4.46 117.98 123.13 1iit s PHE 161 Ca 0.06 -0.17 -0.35 0.00 -0.96 0.00 0.00 56.93 55.51 1iit s PHE 161 Cb -0.14 0.64 -0.15 0.00 -0.34 0.00 0.00 43.02 43.03 1iit s PHE 161 CO 0.05 -0.85 1.54 -0.25 -1.46 0.00 0.00 175.22 174.24 1iit n ASP 162 N -0.46 2.59 -0.27 6.13 10.43 -1.26 -0.66 116.55 133.04 1iit n ASP 162 Ca -0.06 1.08 0.03 0.00 2.57 0.00 0.00 54.79 58.41 1iit n ASP 162 Cb 0.61 -1.32 0.16 0.00 1.84 0.00 0.00 41.12 42.41 1iit n ASP 162 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 1iit h ARG 163 N 5.85 0.67 -0.64 -1.24 2.43 -1.14 -2.53 114.38 117.77 1iit h ARG 163 Ca -0.46 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 58.62 1iit h ARG 163 Cb 1.29 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 1iit h ARG 163 CO 0.86 0.44 0.22 -1.35 -1.51 0.00 0.00 179.97 178.63 1iit h PRO 164 N 0.69 0.96 -0.35 0.20 0.11 -1.91 -1.17 132.00 130.52 1iit h PRO 164 Ca 0.39 -0.17 -0.11 0.00 0.11 0.00 0.00 66.00 66.22 1iit h PRO 164 Cb 0.41 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1iit h PRO 164 CO -0.27 0.81 -0.21 0.00 -0.21 0.00 0.00 178.00 178.11 1iit h ALA 165 N 1.31 0.96 -0.23 -0.75 0.00 -1.62 -1.08 119.26 117.85 1iit h ALA 165 Ca 0.21 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1iit h ALA 165 Cb 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1iit h ALA 165 CO -0.01 0.60 -0.13 -0.07 0.00 0.00 0.00 179.25 179.64 1iit h LEU 166 N 0.60 0.51 -0.50 0.00 3.38 -1.11 -1.77 115.31 116.43 1iit h LEU 166 Ca 0.09 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1iit h LEU 166 Cb 0.69 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1iit h LEU 166 CO 0.05 0.82 0.29 0.40 0.09 0.00 0.00 178.44 180.09 1iit h ILE 167 N 0.20 1.16 -0.68 1.22 2.04 -1.14 -1.36 117.51 118.95 1iit h ILE 167 Ca 0.05 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.56 1iit h ILE 167 Cb 0.63 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 1iit h ILE 167 CO 0.04 0.17 0.41 0.22 0.00 0.00 0.00 178.15 178.99 1iit h TYR 168 N 0.66 0.77 -0.15 1.37 3.20 -1.13 -1.95 116.97 119.75 1iit h TYR 168 Ca 0.18 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1iit h TYR 168 Cb 0.02 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 1iit h TYR 168 CO -0.02 0.42 0.10 -0.92 -1.64 0.00 0.00 178.16 176.09 1iit h TYR 169 N 0.79 0.18 -0.14 -3.82 3.20 -0.71 -2.22 116.97 114.26 1iit h TYR 169 Ca 0.29 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.17 1iit h TYR 169 Cb 0.08 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1iit h TYR 169 CO -0.05 0.12 0.09 1.79 -1.64 0.00 0.00 178.16 178.47 1iit h THR 170 N 0.19 1.01 0.00 1.81 1.35 -0.88 -1.58 112.91 114.81 1iit h THR 170 Ca 0.05 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1iit h THR 170 Cb -0.01 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.26 1iit h THR 170 CO -0.01 0.03 0.00 0.03 -0.25 0.00 0.00 175.52 175.32 1iit h ARG 171 N 0.14 0.00 0.00 4.72 3.08 -0.75 -2.64 114.38 118.94 1iit h ARG 171 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1iit h ARG 171 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1iit h ARG 171 CO -0.01 0.00 -1.08 1.04 -1.07 0.00 0.00 179.97 178.85 1iit n GLN 172 N -2.67 0.23 -3.16 0.04 1.13 -0.63 -4.55 117.38 107.76 1iit n GLN 172 Ca 0.03 -0.02 -0.20 0.00 -1.94 0.00 0.00 57.00 54.87 1iit n GLN 172 Cb 0.36 -1.55 -0.03 0.00 0.11 0.00 0.00 30.24 29.12 1iit n GLN 172 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1iit n ASN 173 N -1.83 1.22 0.25 1.08 3.02 -0.97 -4.93 115.26 113.11 1iit n ASN 173 Ca 0.02 -3.07 0.08 0.00 -0.03 0.00 0.00 54.58 51.58 1iit n ASN 173 Cb 0.41 -0.62 0.62 0.00 -0.61 0.00 0.00 39.78 39.59 1iit n ASN 173 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1iit h PRO 174 N 3.08 0.00 -0.05 3.52 0.11 -1.72 -2.30 132.00 134.63 1iit h PRO 174 Ca 0.10 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.23 1iit h PRO 174 Cb 0.91 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 1iit h PRO 174 CO 0.54 0.04 0.08 -2.95 -0.21 0.00 0.00 178.00 175.49 1iit h ASN 175 N 0.00 0.00 1.28 -2.05 -1.07 -1.91 -2.72 115.58 109.10 1iit h ASN 175 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 56.30 1iit h ASN 175 Cb 0.07 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.31 1iit h ASN 175 CO 0.01 0.00 -0.31 -0.07 0.07 0.00 0.00 177.43 177.12 1iit h LEU 176 N 0.00 0.00 -0.95 6.14 3.38 -1.79 -3.48 115.31 118.61 1iit h LEU 176 Ca 0.03 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.65 1iit h LEU 176 Cb 0.18 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.06 1iit h LEU 176 CO -0.00 0.31 -0.61 -3.20 0.09 0.00 0.00 178.44 175.03 1iit n ASN 177 N -3.29 -5.49 -4.93 -0.43 4.05 -1.03 -4.94 115.26 99.20 1iit n ASN 177 Ca 0.01 -0.48 -0.28 0.00 0.45 0.00 0.00 54.58 54.28 1iit n ASN 177 Cb 0.56 -4.52 -0.03 0.00 1.23 0.00 0.00 39.78 37.02 1iit n ASN 177 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1iit s LEU 178 N -6.51 4.29 0.00 1.20 1.43 -1.26 -2.29 118.68 115.55 1iit s LEU 178 Ca 0.47 0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.93 1iit s LEU 178 Cb -0.21 -3.08 -0.01 0.00 0.03 0.00 0.00 46.19 42.93 1iit s LEU 178 CO 0.64 0.03 -0.09 -1.61 0.23 0.00 0.00 176.35 175.56 1iit s GLU 179 N -3.07 0.67 -0.40 1.70 8.01 0.76 -4.84 118.70 121.53 1iit s GLU 179 Ca 0.37 -0.39 -0.18 0.00 0.01 0.00 0.00 54.97 54.78 1iit s GLU 179 Cb -0.11 -0.63 0.01 0.00 -4.31 0.00 0.00 34.13 29.09 1iit s GLU 179 CO 0.28 0.17 0.51 0.08 0.01 0.00 0.00 175.26 176.31 1iit s VAL 180 N -0.38 5.00 1.20 2.63 1.01 -1.26 -0.52 120.40 128.07 1iit s VAL 180 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 1iit s VAL 180 Cb -0.04 -4.05 0.28 0.00 0.00 0.00 0.00 36.38 32.56 1iit s VAL 180 CO -0.00 -0.39 0.85 0.35 0.00 0.00 0.00 175.10 175.91 1iit n THR 181 N 5.54 0.00 1.03 3.92 -2.24 -0.56 -4.91 114.28 117.06 1iit n THR 181 Ca -0.05 -0.47 0.13 0.00 -2.27 0.00 0.00 64.05 61.40 1iit n THR 181 Cb 0.48 -0.94 0.50 0.00 -2.10 0.00 0.00 70.33 68.28 1iit n THR 181 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1iit n GLU 182 N -4.61 0.04 -1.98 -0.78 0.00 -1.26 -4.77 120.64 107.28 1iit n GLU 182 Ca 0.02 -0.01 -0.42 0.00 0.00 0.00 0.00 57.16 56.75 1iit n GLU 182 Cb 0.55 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.46 1iit n GLU 182 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1iit s ILE 183 N -2.96 2.85 -0.36 3.84 1.01 -1.26 -5.00 121.20 119.32 1iit s ILE 183 Ca 0.14 0.55 -0.01 0.00 0.00 0.00 0.00 60.65 61.33 1iit s ILE 183 Cb 0.19 -3.35 0.09 0.00 0.01 0.00 0.00 42.46 39.39 1iit s ILE 183 CO 0.58 0.03 0.12 0.00 0.00 0.00 0.00 174.94 175.67 1iit s ARG 184 N 1.50 2.03 0.47 2.79 1.04 -1.26 -4.34 118.95 121.17 1iit s ARG 184 Ca 0.70 -1.67 0.17 0.00 -1.04 0.00 0.00 55.73 53.89 1iit s ARG 184 Cb -0.41 -3.40 1.14 0.00 -2.04 0.00 0.00 34.95 30.24 1iit s ARG 184 CO 0.31 -0.92 2.03 0.28 -0.04 0.00 0.00 175.30 176.96 1iit h VAL 185 N 6.44 1.00 -1.74 4.99 2.07 -1.35 -3.47 116.25 124.19 1iit h VAL 185 Ca -0.14 -0.53 0.29 0.00 0.82 0.00 0.00 66.70 67.15 1iit h VAL 185 Cb 1.05 1.29 -0.10 0.00 -1.52 0.00 0.00 31.29 32.01 1iit h VAL 185 CO 0.62 0.15 0.76 -0.94 0.02 0.00 0.00 177.57 178.18 1iit s SER 186 N -6.83 -0.07 -0.13 0.57 1.04 -1.25 -4.97 113.70 102.06 1iit s SER 186 Ca -0.04 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1iit s SER 186 Cb 0.15 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.53 1iit s SER 186 CO 0.67 -0.45 -0.12 -0.76 0.98 0.00 0.00 173.24 173.56 1iit s LEU 187 N -3.10 1.51 -0.04 2.42 1.43 -1.26 -1.30 118.68 118.35 1iit s LEU 187 Ca 0.16 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1iit s LEU 187 Cb 0.03 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.19 1iit s LEU 187 CO -0.02 -0.07 -0.13 -1.61 0.23 0.00 0.00 176.35 174.75 1iit s GLU 188 N 1.53 1.37 0.37 1.70 2.02 0.13 -4.97 118.70 120.85 1iit s GLU 188 Ca 0.04 -0.45 -0.20 0.00 0.02 0.00 0.00 54.97 54.39 1iit s GLU 188 Cb -0.13 -1.22 -0.10 0.00 0.10 0.00 0.00 34.13 32.78 1iit s GLU 188 CO -0.09 0.17 0.87 -1.25 0.02 0.00 0.00 175.26 174.98 1iit s PRO 189 N 0.16 4.21 -0.10 0.39 0.04 -1.26 -0.77 135.00 137.66 1iit s PRO 189 Ca -0.04 1.00 -0.04 0.00 0.04 0.00 0.00 61.00 61.96 1iit s PRO 189 Cb -0.10 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 1iit s PRO 189 CO 0.01 0.09 0.05 0.71 0.04 0.00 0.00 177.00 177.90 1iit s TYR 190 N -2.01 3.31 0.28 0.56 4.12 0.72 -1.25 117.35 123.08 1iit s TYR 190 Ca 0.57 0.29 -0.03 0.00 0.02 0.00 0.00 57.07 57.92 1iit s TYR 190 Cb -0.11 -1.86 -0.02 0.00 -1.52 0.00 0.00 41.96 38.45 1iit s TYR 190 CO 0.16 0.53 0.35 0.20 0.02 0.00 0.00 175.55 176.81 1iit s GLY 191 N -0.83 1.36 0.28 0.71 0.00 -0.32 -0.40 107.32 108.12 1iit s GLY 191 Ca 0.13 -1.49 0.07 0.00 0.00 0.00 0.00 44.72 43.43 1iit s GLY 191 CO 0.03 -1.08 0.28 -1.36 0.00 0.00 0.00 173.10 170.96 1iit s PHE 192 N -3.65 3.12 -0.15 1.90 2.99 -1.26 -4.03 117.98 116.90 1iit s PHE 192 Ca 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 56.93 57.09 1iit s PHE 192 Cb 0.02 -1.60 -0.01 0.00 0.00 0.00 0.00 43.02 41.43 1iit s PHE 192 CO 0.16 0.36 -0.12 0.08 -0.00 0.00 0.00 175.22 175.71 1iit s VAL 193 N -2.15 3.03 0.40 -0.44 1.01 -0.35 -1.26 120.40 120.64 1iit s VAL 193 Ca 0.36 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 61.76 1iit s VAL 193 Cb -0.08 -2.29 -0.07 0.00 0.00 0.00 0.00 36.38 33.94 1iit s VAL 193 CO 0.27 0.51 0.02 -0.76 0.00 0.00 0.00 175.10 175.13 1iit s LEU 194 N 0.61 2.90 0.32 3.92 1.43 -0.27 -0.75 118.68 126.84 1iit s LEU 194 Ca -0.07 -1.31 -0.27 0.00 -1.03 0.00 0.00 54.13 51.45 1iit s LEU 194 Cb -0.15 -0.98 -0.09 0.00 0.03 0.00 0.00 46.19 44.99 1iit s LEU 194 CO 0.03 -0.43 1.03 -0.75 0.23 0.00 0.00 176.35 176.45 1iit s LYS 195 N -3.72 4.50 0.32 1.70 2.20 -1.26 -1.38 119.74 122.09 1iit s LYS 195 Ca 0.35 1.56 -0.29 0.00 -0.36 0.00 0.00 55.97 57.23 1iit s LYS 195 Cb 0.08 -2.90 -0.12 0.00 -1.51 0.00 0.00 37.83 33.38 1iit s LYS 195 CO 0.18 0.15 1.37 -1.91 -0.36 0.00 0.00 175.35 174.79 1iit n GLU 196 N 0.68 2.23 -2.64 4.03 2.13 0.08 -1.72 120.64 125.42 1iit n GLU 196 Ca 0.01 0.79 -0.21 0.00 0.66 0.00 0.00 57.16 58.41 1iit n GLU 196 Cb 0.48 -2.43 0.01 0.00 0.27 0.00 0.00 31.44 29.77 1iit n GLU 196 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1iit n ASN 197 N 1.22 -6.01 -4.75 4.31 3.02 -1.26 -4.94 115.26 106.84 1iit n ASN 197 Ca 0.06 -0.13 -0.41 0.00 -0.03 0.00 0.00 54.58 54.08 1iit n ASN 197 Cb 0.35 -4.94 -0.03 0.00 -0.61 0.00 0.00 39.78 34.55 1iit n ASN 197 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1iit s SER 198 N -2.32 6.94 0.00 6.41 0.15 -0.70 -4.91 113.70 119.27 1iit s SER 198 Ca 0.12 2.48 0.15 0.00 0.70 0.00 0.00 55.95 59.40 1iit s SER 198 Cb -0.05 -2.63 0.73 0.00 -1.71 0.00 0.00 66.02 62.36 1iit s SER 198 CO 0.15 -0.44 1.44 -0.81 1.20 0.00 0.00 173.24 174.78 1iit n PRO 199 N 1.61 0.16 0.04 5.44 -0.04 -1.26 -2.32 135.00 138.62 1iit n PRO 199 Ca 0.02 0.17 0.08 0.00 -0.04 0.00 0.00 63.50 63.73 1iit n PRO 199 Cb 0.43 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 1iit n PRO 199 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1iit n LEU 200 N -1.34 0.53 -0.27 1.53 4.77 -1.26 -4.61 117.00 116.34 1iit n LEU 200 Ca 0.06 0.21 -0.09 0.00 -0.03 0.00 0.00 56.01 56.16 1iit n LEU 200 Cb 0.13 0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1iit n LEU 200 CO 0.12 -0.03 0.53 -0.61 -1.33 0.00 0.00 177.39 176.07 1iit h GLN 201 N 0.00 -0.17 -0.61 3.23 4.15 -1.85 -1.02 115.11 118.85 1iit h GLN 201 Ca -0.06 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.40 1iit h GLN 201 Cb 1.17 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.86 1iit h GLN 201 CO 0.01 -0.11 0.38 -0.22 -1.93 0.00 0.00 178.83 176.96 1iit h LYS 202 N -0.17 0.73 -0.51 1.69 3.64 -1.81 -0.06 116.57 120.08 1iit h LYS 202 Ca 0.17 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1iit h LYS 202 Cb 0.53 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1iit h LYS 202 CO -0.78 0.49 0.18 1.15 -2.27 0.00 0.00 179.45 178.22 1iit h THR 203 N 0.76 1.22 -0.34 1.00 2.02 -1.74 -1.94 112.91 113.90 1iit h THR 203 Ca 0.24 -0.72 -0.05 0.00 0.77 0.00 0.00 66.41 66.65 1iit h THR 203 Cb -0.01 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1iit h THR 203 CO -0.09 0.27 0.02 0.40 0.37 0.00 0.00 175.52 176.49 1iit h ILE 204 N 0.68 1.25 -0.20 3.11 2.04 -0.78 -2.13 117.51 121.49 1iit h ILE 204 Ca 0.17 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 65.12 1iit h ILE 204 Cb 0.24 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1iit h ILE 204 CO -0.01 0.30 0.12 0.78 0.00 0.00 0.00 178.15 179.34 1iit h ASN 205 N 0.40 0.19 -0.31 1.72 2.35 -0.92 0.37 115.58 119.37 1iit h ASN 205 Ca 0.10 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1iit h ASN 205 Cb 0.41 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 1iit h ASN 205 CO 0.01 0.14 0.14 0.58 -1.65 0.00 0.00 177.43 176.66 1iit h VAL 206 N 0.24 0.97 -0.53 2.81 2.07 -1.32 0.05 116.25 120.55 1iit h VAL 206 Ca 0.08 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1iit h VAL 206 Cb -0.01 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1iit h VAL 206 CO -0.03 0.06 0.17 -0.33 0.02 0.00 0.00 177.57 177.46 1iit h GLU 207 N 0.30 0.81 -0.39 1.57 4.39 -1.12 0.44 114.58 120.59 1iit h GLU 207 Ca 0.13 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.57 1iit h GLU 207 Cb 0.06 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1iit h GLU 207 CO -0.10 0.74 -0.14 0.52 -1.16 0.00 0.00 179.01 178.87 1iit h MET 208 N 0.72 0.71 -0.25 2.33 2.86 -0.71 -1.21 114.93 119.38 1iit h MET 208 Ca 0.17 -0.24 -0.13 0.00 -2.06 0.00 0.00 59.70 57.44 1iit h MET 208 Cb 0.26 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1iit h MET 208 CO -0.01 0.82 -0.39 -0.07 1.06 0.00 0.00 176.91 178.32 1iit h LEU 209 N 0.64 0.60 -0.37 1.22 3.38 -0.67 -0.62 115.31 119.50 1iit h LEU 209 Ca 0.11 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1iit h LEU 209 Cb 0.60 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1iit h LEU 209 CO 0.04 0.93 0.12 0.78 0.09 0.00 0.00 178.44 180.40 1iit h ASN 210 N 0.47 0.53 -0.79 -0.43 2.35 -0.57 -0.28 115.58 116.86 1iit h ASN 210 Ca 0.04 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.56 1iit h ASN 210 Cb 0.89 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 39.08 1iit h ASN 210 CO 0.08 0.59 0.36 -0.07 -1.65 0.00 0.00 177.43 176.74 1iit h LEU 211 N 0.44 1.05 0.75 1.61 3.38 -1.01 -1.47 115.31 120.06 1iit h LEU 211 Ca 0.12 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1iit h LEU 211 Cb 0.25 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.73 1iit h LEU 211 CO -0.00 0.91 -0.36 0.25 0.09 0.00 0.00 178.44 179.32 1iit h LEU 212 N 1.13 -0.85 -1.86 1.67 5.85 -0.83 -1.12 115.31 119.30 1iit h LEU 212 Ca 0.27 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 1iit h LEU 212 Cb 0.15 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1iit h LEU 212 CO -0.03 -0.52 -0.12 1.88 -0.34 0.00 0.00 178.44 179.30 1iit h TYR 213 N -1.15 0.00 -0.01 1.25 -1.99 -1.05 -1.78 116.97 112.24 1iit h TYR 213 Ca -0.10 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.63 1iit h TYR 213 Cb 0.79 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.52 1iit h TYR 213 CO -0.00 0.12 0.00 -1.13 -0.00 0.00 0.00 178.16 177.15 1iit n SER 214 N -4.12 0.50 -0.53 3.88 3.41 -0.56 -4.89 113.62 111.31 1iit n SER 214 Ca -0.02 -1.20 -0.07 0.00 -0.26 0.00 0.00 58.87 57.31 1iit n SER 214 Cb 0.20 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 1iit n SER 214 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1iit n ARG 215 N -0.59 -0.93 -0.07 4.33 0.00 -0.67 -4.90 116.66 113.83 1iit n ARG 215 Ca 0.22 0.66 -0.11 0.00 -0.00 0.00 0.00 57.85 58.61 1iit n ARG 215 Cb 0.19 -4.58 0.03 0.00 -0.00 0.00 0.00 32.46 28.09 1iit n ARG 215 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1iit h VAL 216 N 0.00 1.28 -0.28 8.89 2.07 -1.41 -2.34 116.25 124.46 1iit h VAL 216 Ca -0.14 -1.58 -0.09 0.00 0.82 0.00 0.00 66.70 65.71 1iit h VAL 216 Cb 0.68 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1iit h VAL 216 CO 0.21 0.52 -0.19 0.40 0.02 0.00 0.00 177.57 178.52 1iit h ILE 217 N 0.64 1.25 -0.43 4.57 2.04 -1.79 -1.53 117.51 122.26 1iit h ILE 217 Ca 0.05 -1.17 -0.05 0.00 1.00 0.00 0.00 64.86 64.69 1iit h ILE 217 Cb 0.96 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1iit h ILE 217 CO 0.09 0.38 0.05 0.00 0.00 0.00 0.00 178.15 178.67 1iit h ALA 218 N 1.33 1.28 -0.44 1.87 0.00 -1.79 -0.81 119.26 120.69 1iit h ALA 218 Ca 0.08 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1iit h ALA 218 Cb 0.60 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1iit h ALA 218 CO 0.04 0.49 -0.24 1.05 0.00 0.00 0.00 179.25 180.60 1iit h GLU 219 N 0.64 0.94 -0.26 0.00 9.09 -0.85 -0.29 114.58 123.86 1iit h GLU 219 Ca 0.14 -0.42 0.00 0.00 0.05 0.00 0.00 59.36 59.13 1iit h GLU 219 Cb 0.33 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.40 1iit h GLU 219 CO 0.01 1.09 0.17 0.74 0.05 0.00 0.00 179.01 181.07 1iit h PHE 220 N 0.78 0.33 -0.67 2.06 0.05 -0.68 -0.66 116.94 118.16 1iit h PHE 220 Ca 0.10 0.01 -0.05 0.00 3.82 0.00 0.00 57.97 61.84 1iit h PHE 220 Cb 0.82 -0.11 -0.03 0.00 2.00 0.00 0.00 35.95 38.63 1iit h PHE 220 CO 0.06 0.22 0.21 1.15 -0.18 0.00 0.00 178.31 179.77 1iit h THR 221 N 0.36 1.25 -0.24 -1.55 2.02 -1.07 -2.59 112.91 111.09 1iit h THR 221 Ca 0.10 -0.86 -0.05 0.00 0.77 0.00 0.00 66.41 66.37 1iit h THR 221 Cb -0.04 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1iit h THR 221 CO -0.02 0.33 -0.06 -0.33 0.37 0.00 0.00 175.52 175.81 1iit h GLU 222 N 0.97 0.38 -0.65 6.66 3.07 -0.68 0.71 114.58 125.03 1iit h GLU 222 Ca 0.22 -0.08 -0.08 0.00 -0.50 0.00 0.00 59.36 58.92 1iit h GLU 222 Cb 0.29 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 1iit h GLU 222 CO -0.01 0.46 0.10 0.07 -1.40 0.00 0.00 179.01 178.23 1iit h ARG 223 N 0.36 1.07 -0.00 2.33 0.11 -0.73 0.34 114.38 117.87 1iit h ARG 223 Ca 0.08 -0.29 0.00 0.00 0.10 0.00 0.00 59.98 59.87 1iit h ARG 223 Cb 0.35 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.30 1iit h ARG 223 CO 0.02 0.99 -0.76 0.91 0.10 0.00 0.00 179.97 181.22 1iit n TRP 224 N -4.21 0.00 -1.71 4.08 7.02 -1.03 -4.64 117.44 116.95 1iit n TRP 224 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 1iit n TRP 224 Cb 0.29 -0.08 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 1iit n TRP 224 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 1iit n LEU 225 N -1.31 0.00 -0.09 -0.99 7.94 0.21 -4.91 117.00 117.86 1iit n LEU 225 Ca 0.05 -0.53 0.16 0.00 -1.11 0.00 0.00 56.01 54.58 1iit n LEU 225 Cb 0.35 0.00 0.87 0.00 0.53 0.00 0.00 43.42 45.17 1iit n LEU 225 CO 0.38 0.41 1.07 0.61 -1.11 0.00 0.00 177.39 178.75