#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4m s LEU 69 N 0.00 3.23 0.00 3.22 1.43 -1.26 -4.76 118.68 120.54 3i4m s LEU 69 Ca 0.00 -0.35 0.29 0.00 -1.03 0.00 0.00 54.13 53.04 3i4m s LEU 69 Cb 0.00 -2.55 1.62 0.00 0.03 0.00 0.00 46.19 45.29 3i4m s LEU 69 CO 0.00 -2.01 2.05 0.29 0.23 0.00 0.00 176.35 176.91 3i4m n LYS 70 N 9.24 0.70 -0.16 1.70 5.02 -1.26 -4.05 118.16 129.36 3i4m n LYS 70 Ca 0.13 0.01 -0.01 0.00 -2.02 0.00 0.00 58.31 56.42 3i4m n LYS 70 Cb 0.50 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.00 3i4m n LYS 70 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i4m n GLU 71 N -1.12 0.32 0.00 1.97 4.71 -1.26 -4.85 120.64 120.40 3i4m n GLU 71 Ca 0.18 -0.07 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 3i4m n GLU 71 Cb 0.15 -1.45 0.00 0.00 -1.01 0.00 0.00 31.44 29.13 3i4m n GLU 71 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3i4m n LYS 72 N 2.17 0.00 -3.94 3.49 4.01 -1.26 -4.78 118.16 117.85 3i4m n LYS 72 Ca 0.03 0.00 -0.08 0.00 -0.51 0.00 0.00 58.31 57.75 3i4m n LYS 72 Cb 0.15 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 34.64 3i4m n LYS 72 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i4m s ALA 73 N 0.00 -0.60 0.04 7.82 0.00 -1.26 -4.67 121.76 123.09 3i4m s ALA 73 Ca 0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 51.96 51.12 3i4m s ALA 73 Cb 0.00 0.97 -0.09 0.00 0.00 0.00 0.00 23.12 24.01 3i4m s ALA 73 CO 0.00 -0.93 0.39 -0.89 0.00 0.00 0.00 175.76 174.34 3i4m n ILE 74 N -0.42 0.37 -2.85 0.00 5.41 -1.10 -4.86 119.36 115.90 3i4m n ILE 74 Ca -0.03 -0.09 -0.35 0.00 1.00 0.00 0.00 62.75 63.28 3i4m n ILE 74 Cb 0.61 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.47 3i4m n ILE 74 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3i4m s PRO 75 N -0.18 4.37 0.66 0.38 0.04 -1.26 -4.61 135.00 134.39 3i4m s PRO 75 Ca 0.37 1.15 0.14 0.00 0.04 0.00 0.00 61.00 62.70 3i4m s PRO 75 Cb -0.53 -2.53 0.76 0.00 0.04 0.00 0.00 34.50 32.24 3i4m s PRO 75 CO 0.26 0.16 1.43 0.87 0.04 0.00 0.00 177.00 179.75 3i4m h LYS 76 N 2.62 0.00 -6.03 4.56 1.57 -1.92 -3.27 116.57 114.10 3i4m h LYS 76 Ca -0.48 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.74 3i4m h LYS 76 Cb 1.19 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.44 3i4m h LYS 76 CO 0.63 0.00 -0.00 0.34 -0.57 0.00 0.00 179.45 179.85 3i4m s ASP 77 N -3.66 6.95 0.00 0.86 2.15 -1.26 -3.32 116.67 118.38 3i4m s ASP 77 Ca -0.02 1.13 0.00 0.00 0.43 0.00 0.00 52.55 54.09 3i4m s ASP 77 Cb 0.04 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 3i4m s ASP 77 CO 0.13 0.04 0.00 0.00 -0.17 0.00 0.00 175.17 175.17 3i4m n GLN 78 N 3.08 0.00 -1.51 4.34 6.02 -1.25 -5.02 117.38 123.05 3i4m n GLN 78 Ca -0.06 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.51 3i4m n GLN 78 Cb 0.51 -1.04 -0.00 0.00 1.02 0.00 0.00 30.24 30.73 3i4m n GLN 78 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3i4m n ARG 79 N -2.00 0.85 -0.04 -1.09 0.63 -1.21 -4.91 116.66 108.88 3i4m n ARG 79 Ca 0.00 0.30 -0.06 0.00 -0.92 0.00 0.00 57.85 57.18 3i4m n ARG 79 Cb 0.00 -1.63 -0.05 0.00 0.45 0.00 0.00 32.46 31.23 3i4m n ARG 79 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i4m n ALA 80 N -0.43 1.80 -0.76 5.13 0.00 -1.26 -5.08 120.51 119.91 3i4m n ALA 80 Ca 0.11 -0.45 -0.02 0.00 0.00 0.00 0.00 53.44 53.08 3i4m n ALA 80 Cb 0.36 0.21 0.04 0.00 0.00 0.00 0.00 19.45 20.05 3i4m n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i4m n THR 81 N -2.60 0.00 -2.51 0.00 -2.24 -1.26 -4.89 114.28 100.77 3i4m n THR 81 Ca -0.16 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.22 3i4m n THR 81 Cb 0.71 -0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.76 3i4m n THR 81 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3i4m s THR 82 N -1.47 3.58 0.24 4.28 2.01 -1.26 -4.94 115.64 118.09 3i4m s THR 82 Ca 0.09 1.58 0.30 0.00 0.31 0.00 0.00 61.69 63.96 3i4m s THR 82 Cb -0.02 -4.00 0.32 0.00 0.01 0.00 0.00 72.50 68.81 3i4m s THR 82 CO 0.07 0.37 1.98 -0.65 -0.69 0.00 0.00 174.62 175.70 3i4m h PRO 83 N 3.97 0.00 0.00 4.92 0.11 -1.98 -3.45 132.00 135.57 3i4m h PRO 83 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3i4m h PRO 83 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3i4m h PRO 83 CO 0.67 0.11 0.00 0.66 -0.21 0.00 0.00 178.00 179.24 3i4m n TYR 84 N -3.33 -2.76 -4.42 0.65 4.02 -1.26 -2.71 117.16 107.35 3i4m n TYR 84 Ca -0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.58 3i4m n TYR 84 Cb 0.31 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.52 3i4m n TYR 84 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 3i4m s MET 85 N -1.64 2.08 0.30 -0.72 1.75 -1.14 -4.50 119.30 115.43 3i4m s MET 85 Ca 0.00 -1.01 -0.17 0.00 -1.25 0.00 0.00 55.69 53.27 3i4m s MET 85 Cb 0.00 -2.25 -0.09 0.00 2.84 0.00 0.00 34.83 35.33 3i4m s MET 85 CO 0.00 0.52 0.75 0.95 -0.65 0.00 0.00 175.02 176.59 3i4m s THR 86 N -1.07 4.63 0.54 10.11 -4.23 -1.26 -4.78 115.64 119.57 3i4m s THR 86 Ca 0.18 1.08 0.36 0.00 -1.18 0.00 0.00 61.69 62.12 3i4m s THR 86 Cb -0.11 -3.68 0.54 0.00 1.34 0.00 0.00 72.50 70.59 3i4m s THR 86 CO 0.09 -0.08 1.81 0.07 -0.54 0.00 0.00 174.62 175.97 3i4m h LYS 87 N 2.57 0.02 0.10 3.99 2.10 -1.99 0.14 116.57 123.49 3i4m h LYS 87 Ca -0.48 -0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3i4m h LYS 87 Cb 1.18 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 3i4m h LYS 87 CO 0.65 0.01 -0.05 1.88 -2.00 0.00 0.00 179.45 179.95 3i4m h TYR 88 N 0.02 -0.12 -0.89 0.07 -1.99 -1.98 -2.37 116.97 109.71 3i4m h TYR 88 Ca 0.56 -0.00 0.19 0.00 2.00 0.00 0.00 58.73 61.48 3i4m h TYR 88 Cb 2.20 0.04 -0.11 0.00 2.00 0.00 0.00 36.73 40.86 3i4m h TYR 88 CO -0.00 0.40 0.43 0.93 -0.00 0.00 0.00 178.16 179.92 3i4m h GLU 89 N -0.84 0.50 -0.17 4.88 5.08 -1.12 2.74 114.58 125.65 3i4m h GLU 89 Ca -0.01 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 3i4m h GLU 89 Cb 0.58 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3i4m h GLU 89 CO 0.02 0.33 -0.36 0.07 -1.00 0.00 0.00 179.01 178.07 3i4m h ARG 90 N 0.51 0.54 -0.00 2.33 0.11 -1.41 0.70 114.38 117.16 3i4m h ARG 90 Ca 0.53 -0.36 0.01 0.00 0.10 0.00 0.00 59.98 60.26 3i4m h ARG 90 Cb 0.90 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 32.02 3i4m h ARG 90 CO -0.45 0.97 -0.06 0.00 0.10 0.00 0.00 179.97 180.53 3i4m h ALA 91 N 0.57 -0.05 -0.78 0.08 0.00 -0.39 0.27 119.26 118.95 3i4m h ALA 91 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3i4m h ALA 91 Cb 0.96 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3i4m h ALA 91 CO 0.08 -0.55 0.29 -0.09 0.00 0.00 0.00 179.25 178.98 3i4m h ARG 92 N -0.10 1.18 0.29 0.00 9.65 0.48 -2.12 114.38 123.77 3i4m h ARG 92 Ca 0.02 -0.23 -0.01 0.00 -1.10 0.00 0.00 59.98 58.66 3i4m h ARG 92 Cb 0.13 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 3i4m h ARG 92 CO -0.06 0.97 -0.14 0.82 2.80 0.00 0.00 179.97 184.37 3i4m h ILE 93 N 1.15 0.00 -0.79 1.20 2.04 0.10 -1.88 117.51 119.33 3i4m h ILE 93 Ca 0.26 -0.14 0.13 0.00 1.00 0.00 0.00 64.86 66.10 3i4m h ILE 93 Cb 0.25 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.20 3i4m h ILE 93 CO -0.02 0.00 -0.30 0.18 0.00 0.00 0.00 178.15 178.02 3i4m n LEU 94 N -3.43 -0.49 0.00 1.44 4.77 0.90 -0.53 117.00 119.65 3i4m n LEU 94 Ca -0.05 1.38 0.00 0.00 -0.03 0.00 0.00 56.01 57.31 3i4m n LEU 94 Cb 0.15 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3i4m n LEU 94 CO 0.12 -1.24 0.50 0.61 -1.33 0.00 0.00 177.39 176.04 3i4m n GLY 95 N -1.39 -2.64 0.19 -0.72 0.00 -0.80 -0.84 105.19 99.00 3i4m n GLY 95 Ca 0.08 0.17 -0.05 0.00 0.00 0.00 0.00 46.02 46.22 3i4m n GLY 95 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i4m n THR 96 N -2.28 -0.31 -0.31 2.61 -1.04 0.11 0.29 114.28 113.35 3i4m n THR 96 Ca 0.00 1.63 0.10 0.00 -2.04 0.00 0.00 64.05 63.74 3i4m n THR 96 Cb 0.00 -2.07 0.27 0.00 -1.82 0.00 0.00 70.33 66.71 3i4m n THR 96 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3i4m h ARG 97 N 0.00 0.55 0.54 -2.82 9.65 -0.76 0.11 114.38 121.64 3i4m h ARG 97 Ca 0.07 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.89 3i4m h ARG 97 Cb 0.19 -0.12 0.01 0.00 -1.39 0.00 0.00 29.97 28.65 3i4m h ARG 97 CO -0.43 0.36 -0.26 0.00 2.80 0.00 0.00 179.97 182.44 3i4m h ALA 98 N 1.62 -0.72 -0.86 2.80 0.00 0.19 0.22 119.26 122.50 3i4m h ALA 98 Ca 0.51 -0.19 0.25 0.00 0.00 0.00 0.00 54.91 55.49 3i4m h ALA 98 Cb 0.83 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3i4m h ALA 98 CO -0.42 -0.83 0.77 1.25 0.00 0.00 0.00 179.25 180.02 3i4m h LEU 99 N -0.88 0.00 0.12 0.00 5.85 0.10 1.27 115.31 121.78 3i4m h LEU 99 Ca -0.07 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.32 3i4m h LEU 99 Cb 0.61 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3i4m h LEU 99 CO 0.12 0.00 -1.68 1.56 -0.34 0.00 0.00 178.44 178.10 3i4m h GLN 100 N 0.00 0.25 -0.21 1.25 4.20 -0.13 -2.79 115.11 117.69 3i4m h GLN 100 Ca 0.41 -0.43 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 3i4m h GLN 100 Cb 1.95 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 29.88 3i4m h GLN 100 CO -0.00 1.11 -0.29 0.82 -0.67 0.00 0.00 178.83 179.79 3i4m h ILE 101 N 0.07 1.27 0.00 2.54 2.04 0.43 -0.35 117.51 123.51 3i4m h ILE 101 Ca -0.30 -1.32 -0.08 0.00 1.00 0.00 0.00 64.86 64.16 3i4m h ILE 101 Cb 2.04 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 39.55 3i4m h ILE 101 CO 0.14 0.41 -0.37 0.77 0.00 0.00 0.00 178.15 179.10 3i4m h SER 102 N 0.35 0.00 0.00 1.72 4.64 1.00 -1.48 113.55 119.78 3i4m h SER 102 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3i4m h SER 102 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3i4m h SER 102 CO 0.05 0.37 0.00 0.23 -0.87 0.00 0.00 176.83 176.62 3i4m n MET 103 N -3.60 0.79 -2.56 4.77 2.81 -0.57 -4.82 117.12 113.94 3i4m n MET 103 Ca -0.01 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.85 3i4m n MET 103 Cb 0.49 -1.38 0.01 0.00 -0.71 0.00 0.00 33.22 31.63 3i4m n MET 103 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3i4m n ASN 104 N -0.88 -2.51 -4.51 7.83 3.02 -0.56 -5.06 115.26 112.59 3i4m n ASN 104 Ca 0.15 -0.08 -0.27 0.00 -0.03 0.00 0.00 54.58 54.34 3i4m n ASN 104 Cb 0.07 -1.18 0.13 0.00 -0.61 0.00 0.00 39.78 38.19 3i4m n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i4m s ALA 105 N -3.05 2.82 0.36 5.41 0.00 -0.25 -5.01 121.76 122.05 3i4m s ALA 105 Ca 0.07 -1.22 -0.26 0.00 0.00 0.00 0.00 51.96 50.55 3i4m s ALA 105 Cb -0.03 -2.57 -0.09 0.00 0.00 0.00 0.00 23.12 20.43 3i4m s ALA 105 CO 0.11 -1.89 1.03 -2.14 0.00 0.00 0.00 175.76 172.87 3i4m s PRO 106 N -5.54 4.35 -0.14 0.00 0.02 -1.26 -4.80 135.00 127.62 3i4m s PRO 106 Ca 0.68 1.52 -0.01 0.00 0.02 0.00 0.00 61.00 63.21 3i4m s PRO 106 Cb -0.06 -2.73 -0.02 0.00 0.02 0.00 0.00 34.50 31.71 3i4m s PRO 106 CO 0.49 0.03 -0.11 0.08 -0.33 0.00 0.00 177.00 177.16 3i4m s VAL 107 N -1.55 3.23 -0.46 3.83 1.01 -1.26 -4.90 120.40 120.30 3i4m s VAL 107 Ca 0.53 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.96 3i4m s VAL 107 Cb -0.23 -2.38 0.64 0.00 0.00 0.00 0.00 36.38 34.41 3i4m s VAL 107 CO 0.29 0.51 1.89 0.49 0.00 0.00 0.00 175.10 178.28 3i4m n PHE 108 N 3.63 2.94 -4.23 5.22 0.99 -1.26 -4.91 117.46 119.83 3i4m n PHE 108 Ca -0.18 -1.93 -0.13 0.00 -0.00 0.00 0.00 57.45 55.20 3i4m n PHE 108 Cb 0.52 -0.95 -0.10 0.00 -1.00 0.00 0.00 39.48 37.95 3i4m n PHE 108 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 3i4m s VAL 109 N -3.43 0.15 -0.80 -4.37 1.01 -1.26 -4.92 120.40 106.78 3i4m s VAL 109 Ca 0.57 -2.00 -0.16 0.00 0.00 0.00 0.00 61.98 60.39 3i4m s VAL 109 Cb 0.48 -2.54 0.18 0.00 0.00 0.00 0.00 36.38 34.50 3i4m s VAL 109 CO 0.09 0.00 0.82 -1.81 0.00 0.00 0.00 175.10 174.20 3i4m s ASP 110 N -3.21 6.62 -0.03 3.32 1.01 -1.26 -4.99 116.67 118.13 3i4m s ASP 110 Ca 0.39 -2.34 -0.38 0.00 0.71 0.00 0.00 52.55 50.92 3i4m s ASP 110 Cb 0.07 -2.26 -0.17 0.00 1.01 0.00 0.00 42.92 41.57 3i4m s ASP 110 CO 0.13 -0.76 1.42 0.18 0.21 0.00 0.00 175.17 176.35 3i4m n LEU 111 N 4.89 1.65 -3.52 1.23 4.32 -1.26 -4.77 117.00 119.55 3i4m n LEU 111 Ca 0.11 1.11 -0.39 0.00 -0.02 0.00 0.00 56.01 56.83 3i4m n LEU 111 Cb 0.46 -1.14 0.01 0.00 -1.62 0.00 0.00 43.42 41.13 3i4m n LEU 111 CO 0.41 -0.97 1.24 -0.62 -1.22 0.00 0.00 177.39 176.24 3i4m n GLU 112 N 3.19 5.08 0.00 3.23 1.02 -1.26 -4.80 120.64 127.09 3i4m n GLU 112 Ca 0.21 -4.68 0.00 0.00 -0.02 0.00 0.00 57.16 52.67 3i4m n GLU 112 Cb 0.16 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.14 3i4m n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i4m n GLY 113 N -0.10 2.01 1.94 0.62 0.00 -1.26 -4.96 105.19 103.44 3i4m n GLY 113 Ca 0.45 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3i4m n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i4m n GLU 114 N 0.00 -0.47 0.28 1.61 -0.58 -1.26 -4.70 120.64 115.52 3i4m n GLU 114 Ca 0.00 -0.23 0.18 0.00 -0.42 0.00 0.00 57.16 56.69 3i4m n GLU 114 Cb 0.00 0.42 0.96 0.00 -0.57 0.00 0.00 31.44 32.25 3i4m n GLU 114 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i4m h THR 115 N 1.50 0.21 -3.95 2.62 1.03 -1.99 -3.42 112.91 108.91 3i4m h THR 115 Ca 0.00 0.00 -0.46 0.00 -0.01 0.00 0.00 66.41 65.94 3i4m h THR 115 Cb 0.00 0.86 -0.01 0.00 -1.07 0.00 0.00 68.15 67.92 3i4m h THR 115 CO 0.00 0.00 0.35 -0.62 -0.01 0.00 0.00 175.52 175.24 3i4m s ASP 116 N -5.28 7.14 -0.06 0.00 -1.08 -1.26 -5.02 116.67 111.11 3i4m s ASP 116 Ca -0.04 1.82 -0.23 0.00 -0.52 0.00 0.00 52.55 53.58 3i4m s ASP 116 Cb 0.13 -2.57 -0.18 0.00 -1.46 0.00 0.00 42.92 38.84 3i4m s ASP 116 CO 0.44 -0.21 0.91 1.55 0.52 0.00 0.00 175.17 178.37 3i4m h PRO 117 N 2.70 -0.12 0.00 4.34 0.13 -1.92 -2.91 132.00 134.22 3i4m h PRO 117 Ca -0.48 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3i4m h PRO 117 Cb 1.19 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3i4m h PRO 117 CO 0.63 0.40 0.00 -0.11 -0.23 0.00 0.00 178.00 178.69 3i4m n LEU 118 N -4.85 0.00 -0.11 1.56 7.94 -1.26 0.10 117.00 120.38 3i4m n LEU 118 Ca -0.08 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.64 3i4m n LEU 118 Cb 0.29 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.18 3i4m n LEU 118 CO 0.28 0.00 -1.00 -1.14 -1.11 0.00 0.00 177.39 174.42 3i4m n ARG 119 N -0.67 0.55 -0.37 1.96 3.00 -1.20 -3.17 116.66 116.77 3i4m n ARG 119 Ca 0.02 0.23 0.03 0.00 -0.00 0.00 0.00 57.85 58.13 3i4m n ARG 119 Cb 0.01 -1.45 0.18 0.00 0.00 0.00 0.00 32.46 31.20 3i4m n ARG 119 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 3i4m h ILE 120 N -1.00 1.07 0.84 5.15 2.04 -0.64 0.68 117.51 125.66 3i4m h ILE 120 Ca -0.29 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 3i4m h ILE 120 Cb 1.25 -0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3i4m h ILE 120 CO -0.17 0.21 -0.49 0.00 0.00 0.00 0.00 178.15 177.70 3i4m h ALA 121 N 1.47 -1.30 -0.96 1.87 0.00 0.50 1.43 119.26 122.28 3i4m h ALA 121 Ca 0.44 -0.26 0.21 0.00 0.00 0.00 0.00 54.91 55.30 3i4m h ALA 121 Cb 0.20 0.59 -0.11 0.00 0.00 0.00 0.00 17.79 18.47 3i4m h ALA 121 CO -0.18 -1.24 0.53 0.52 0.00 0.00 0.00 179.25 178.88 3i4m h MET 122 N -1.24 0.59 -0.07 0.00 2.86 -1.03 0.48 114.93 116.53 3i4m h MET 122 Ca -0.11 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.38 3i4m h MET 122 Cb 0.98 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 32.51 3i4m h MET 122 CO 0.13 0.39 -0.38 -0.22 1.06 0.00 0.00 176.91 177.90 3i4m h LYS 123 N 0.61 0.37 -0.74 1.72 3.64 0.10 -2.80 116.57 119.48 3i4m h LYS 123 Ca 0.58 -0.31 0.16 0.00 -1.27 0.00 0.00 60.65 59.80 3i4m h LYS 123 Cb 0.99 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.77 3i4m h LYS 123 CO -0.44 0.96 0.20 0.93 -2.27 0.00 0.00 179.45 178.83 3i4m h GLU 124 N -0.11 0.29 0.00 1.90 5.08 0.30 0.34 114.58 122.37 3i4m h GLU 124 Ca -0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3i4m h GLU 124 Cb 1.04 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3i4m h GLU 124 CO 0.08 0.19 0.00 1.25 -1.00 0.00 0.00 179.01 179.53 3i4m h LEU 125 N 0.30 0.00 0.00 1.33 5.85 -0.81 -1.91 115.31 120.06 3i4m h LEU 125 Ca 0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.14 3i4m h LEU 125 Cb 0.70 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3i4m h LEU 125 CO -0.49 0.00 -1.01 0.00 -0.34 0.00 0.00 178.44 176.59 3i4m n ALA 126 N -1.87 2.56 -1.03 1.25 0.00 0.12 -3.47 120.51 118.07 3i4m n ALA 126 Ca -0.01 -0.24 0.07 0.00 0.00 0.00 0.00 53.44 53.25 3i4m n ALA 126 Cb 0.08 -1.10 0.27 0.00 0.00 0.00 0.00 19.45 18.70 3i4m n ALA 126 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i4m n GLU 127 N -2.63 2.98 -2.54 0.00 1.02 -0.83 -4.92 120.64 113.71 3i4m n GLU 127 Ca 0.00 -2.90 -0.13 0.00 -0.02 0.00 0.00 57.16 54.11 3i4m n GLU 127 Cb 0.54 -1.89 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 3i4m n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3i4m n LYS 128 N -0.49 -1.54 -1.86 3.49 5.02 -0.93 -4.73 118.16 117.12 3i4m n LYS 128 Ca 0.24 0.04 -0.37 0.00 -2.02 0.00 0.00 58.31 56.20 3i4m n LYS 128 Cb 0.95 -2.84 0.02 0.00 -0.02 0.00 0.00 35.03 33.13 3i4m n LYS 128 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i4m n LYS 129 N -2.10 2.83 -3.94 1.97 5.02 -0.78 -4.47 118.16 116.68 3i4m n LYS 129 Ca 0.04 -3.31 -0.35 0.00 -2.02 0.00 0.00 58.31 52.67 3i4m n LYS 129 Cb 0.29 -2.26 -0.14 0.00 -0.02 0.00 0.00 35.03 32.91 3i4m n LYS 129 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i4m s ILE 130 N -4.35 2.92 0.00 -0.18 1.01 -1.26 -4.70 121.20 114.65 3i4m s ILE 130 Ca 0.53 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 60.09 3i4m s ILE 130 Cb 0.41 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 40.35 3i4m s ILE 130 CO -0.36 0.13 0.55 -0.81 0.00 0.00 0.00 174.94 174.45 3i4m n PRO 131 N 4.66 0.47 -3.99 2.79 -0.04 -1.26 -4.55 135.00 133.07 3i4m n PRO 131 Ca -0.16 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.96 3i4m n PRO 131 Cb 0.46 -1.27 -0.06 0.00 -0.04 0.00 0.00 33.50 32.59 3i4m n PRO 131 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i4m s LEU 132 N 0.00 4.18 -0.17 1.53 1.43 -1.26 -5.05 118.68 119.34 3i4m s LEU 132 Ca 0.00 0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 3i4m s LEU 132 Cb 0.00 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 43.98 3i4m s LEU 132 CO 0.00 0.33 -0.18 -0.69 0.23 0.00 0.00 176.35 176.04 3i4m s VAL 133 N -1.14 2.27 -0.26 -1.59 1.01 -1.26 -2.18 120.40 117.23 3i4m s VAL 133 Ca 0.20 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 61.09 3i4m s VAL 133 Cb -0.12 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 3i4m s VAL 133 CO 0.11 0.53 0.69 -0.63 0.00 0.00 0.00 175.10 175.79 3i4m s ILE 134 N 1.15 4.93 -0.51 2.22 1.01 0.10 -4.93 121.20 125.17 3i4m s ILE 134 Ca 0.01 1.19 -0.17 0.00 0.00 0.00 0.00 60.65 61.69 3i4m s ILE 134 Cb -0.14 -4.00 0.08 0.00 0.01 0.00 0.00 42.46 38.41 3i4m s ILE 134 CO -0.08 -0.05 0.50 -0.60 0.00 0.00 0.00 174.94 174.72 3i4m s ARG 135 N 2.64 3.02 0.10 2.79 3.52 -1.26 -1.49 118.95 128.27 3i4m s ARG 135 Ca 0.29 -1.31 -0.28 0.00 -0.13 0.00 0.00 55.73 54.29 3i4m s ARG 135 Cb -0.15 -4.17 -0.06 0.00 -1.56 0.00 0.00 34.95 29.01 3i4m s ARG 135 CO 0.09 -1.19 0.90 1.03 -0.81 0.00 0.00 175.30 175.32 3i4m s ARG 136 N 1.99 4.64 0.03 5.12 0.52 -0.33 -4.94 118.95 125.98 3i4m s ARG 136 Ca 0.07 1.33 0.03 0.00 -0.52 0.00 0.00 55.73 56.64 3i4m s ARG 136 Cb -0.24 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 31.83 3i4m s ARG 136 CO 0.07 0.25 -0.03 0.71 0.02 0.00 0.00 175.30 176.33 3i4m s TYR 137 N -0.09 2.97 0.11 -0.53 1.51 -1.26 -1.20 117.35 118.86 3i4m s TYR 137 Ca 0.44 -0.00 0.03 0.00 -1.01 0.00 0.00 57.07 56.53 3i4m s TYR 137 Cb -0.23 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 39.99 3i4m s TYR 137 CO 0.28 0.44 0.15 -0.51 -1.11 0.00 0.00 175.55 174.79 3i4m s LEU 138 N -1.77 3.97 0.51 -1.29 1.43 0.36 -4.98 118.68 116.90 3i4m s LEU 138 Ca 0.21 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 3i4m s LEU 138 Cb -0.11 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.51 3i4m s LEU 138 CO 0.12 0.12 0.85 -0.81 0.23 0.00 0.00 176.35 176.86 3i4m n PRO 139 N 0.04 0.02 -0.07 1.29 -0.04 -1.26 -1.23 135.00 133.75 3i4m n PRO 139 Ca -0.08 0.73 -0.10 0.00 -0.04 0.00 0.00 63.50 64.02 3i4m n PRO 139 Cb 0.53 -2.31 -0.07 0.00 -0.04 0.00 0.00 33.50 31.61 3i4m n PRO 139 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3i4m n ASP 140 N -2.11 2.78 0.00 3.54 5.68 -1.26 -5.04 116.55 120.13 3i4m n ASP 140 Ca 0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 3i4m n ASP 140 Cb 0.85 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.72 3i4m n ASP 140 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i4m n GLY 141 N 2.74 1.86 3.50 6.12 0.00 -0.37 -5.13 105.19 113.91 3i4m n GLY 141 Ca -0.25 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 3i4m n GLY 141 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i4m n SER 142 N 0.00 -0.94 -3.86 1.61 3.41 -1.26 -4.55 113.62 108.03 3i4m n SER 142 Ca 0.00 0.51 -0.09 0.00 -0.26 0.00 0.00 58.87 59.03 3i4m n SER 142 Cb 0.00 -1.28 -0.08 0.00 -0.26 0.00 0.00 64.21 62.59 3i4m n SER 142 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3i4m s PHE 143 N -2.09 0.12 -0.07 7.33 -0.12 -1.26 -0.49 117.98 121.40 3i4m s PHE 143 Ca 0.65 -0.48 0.04 0.00 -0.05 0.00 0.00 56.93 57.09 3i4m s PHE 143 Cb -0.30 -0.06 -0.01 0.00 -0.63 0.00 0.00 43.02 42.02 3i4m s PHE 143 CO 0.59 -0.50 -0.20 -1.21 -0.05 0.00 0.00 175.22 173.85 3i4m s GLU 144 N -3.41 2.72 -0.18 1.99 2.02 -0.34 -2.72 118.70 118.78 3i4m s GLU 144 Ca 0.01 -0.82 -0.08 0.00 0.02 0.00 0.00 54.97 54.11 3i4m s GLU 144 Cb 0.03 -2.31 -0.04 0.00 0.10 0.00 0.00 34.13 31.91 3i4m s GLU 144 CO -0.09 0.40 0.10 -0.51 0.02 0.00 0.00 175.26 175.19 3i4m s ASP 145 N -0.18 6.01 0.03 -0.19 1.01 -1.26 -1.18 116.67 120.90 3i4m s ASP 145 Ca -0.02 0.21 0.05 0.00 0.71 0.00 0.00 52.55 53.51 3i4m s ASP 145 Cb -0.14 -2.02 -0.02 0.00 1.01 0.00 0.00 42.92 41.75 3i4m s ASP 145 CO 0.03 0.22 -0.16 0.26 0.21 0.00 0.00 175.17 175.74 3i4m s TRP 146 N 0.10 1.39 0.00 4.23 0.52 -0.56 -4.83 118.94 119.81 3i4m s TRP 146 Ca 0.08 -0.33 -0.01 0.00 0.02 0.00 0.00 56.10 55.86 3i4m s TRP 146 Cb -0.12 -0.85 -0.04 0.00 -1.15 0.00 0.00 33.47 31.32 3i4m s TRP 146 CO -0.00 0.03 0.13 -1.54 0.02 0.00 0.00 176.95 175.59 3i4m s SER 147 N -0.92 6.02 0.41 2.95 1.04 -1.26 0.01 113.70 121.95 3i4m s SER 147 Ca 0.04 0.23 0.18 0.00 0.48 0.00 0.00 55.95 56.88 3i4m s SER 147 Cb -0.07 -1.81 1.09 0.00 0.10 0.00 0.00 66.02 65.33 3i4m s SER 147 CO 0.01 0.25 1.81 -0.37 0.98 0.00 0.00 173.24 175.92 3i4m h VAL 148 N 2.91 0.60 0.00 5.02 -1.51 -1.68 -0.90 116.25 120.70 3i4m h VAL 148 Ca -0.49 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 3i4m h VAL 148 Cb 1.18 0.16 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 3i4m h VAL 148 CO 0.66 0.07 0.00 -0.62 -1.23 0.00 0.00 177.57 176.46 3i4m n GLU 149 N -4.56 0.00 -0.29 5.19 1.02 -1.26 -3.36 120.64 117.37 3i4m n GLU 149 Ca 0.23 0.47 -0.01 0.00 -0.02 0.00 0.00 57.16 57.83 3i4m n GLU 149 Cb 0.80 -1.37 0.03 0.00 -0.02 0.00 0.00 31.44 30.87 3i4m n GLU 149 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3i4m n GLU 150 N -1.79 -0.18 -1.65 3.49 1.02 -0.40 -4.51 120.64 116.62 3i4m n GLU 150 Ca 0.00 1.17 -0.37 0.00 -0.02 0.00 0.00 57.16 57.94 3i4m n GLU 150 Cb 0.00 -1.74 0.06 0.00 -0.02 0.00 0.00 31.44 29.74 3i4m n GLU 150 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i4m n LEU 151 N -5.12 4.46 -5.01 -4.62 4.77 -0.85 -4.94 117.00 105.69 3i4m n LEU 151 Ca 0.08 0.81 -0.19 0.00 -0.03 0.00 0.00 56.01 56.68 3i4m n LEU 151 Cb 0.30 -1.44 0.04 0.00 -2.33 0.00 0.00 43.42 39.99 3i4m n LEU 151 CO -0.10 -1.58 0.29 -0.63 -1.33 0.00 0.00 177.39 174.03 3i4m s ILE 152 N -1.47 2.60 -0.41 -0.08 1.01 -1.10 -4.91 121.20 116.84 3i4m s ILE 152 Ca 0.78 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 60.59 3i4m s ILE 152 Cb -0.40 -2.70 0.20 0.00 0.01 0.00 0.00 42.46 39.56 3i4m s ILE 152 CO 0.45 0.00 0.41 1.33 0.00 0.00 0.00 174.94 177.13 3i4m n VAL 153 N -2.16 -1.01 -1.08 2.92 0.24 -1.26 -2.91 118.33 113.08 3i4m n VAL 153 Ca 0.11 -3.49 0.05 0.00 -2.04 0.00 0.00 64.34 58.97 3i4m n VAL 153 Cb 0.60 -1.61 0.26 0.00 -1.47 0.00 0.00 33.84 31.62 3i4m n VAL 153 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3i4m n ASP 154 N 2.40 3.86 0.00 -1.34 -0.08 -1.26 -5.10 116.55 115.03 3i4m n ASP 154 Ca 0.27 -3.17 0.14 0.00 -1.51 0.00 0.00 54.79 50.52 3i4m n ASP 154 Cb 0.50 -0.59 0.84 0.00 2.34 0.00 0.00 41.12 44.20 3i4m n ASP 154 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50