#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1im3 s TRP 44 N 0.00 0.80 -0.25 6.00 1.48 -1.26 -5.06 118.94 120.64 1im3 s TRP 44 Ca 0.00 -1.06 -0.29 0.00 -1.06 0.00 0.00 56.10 53.69 1im3 s TRP 44 Cb 0.00 -0.49 0.17 0.00 -1.16 0.00 0.00 33.47 31.99 1im3 s TRP 44 CO 0.00 -0.33 1.25 -0.59 -4.06 0.00 0.00 176.95 173.22 1im3 s PHE 45 N -3.83 -0.15 -0.01 1.66 -0.12 -1.26 -2.85 117.98 111.42 1im3 s PHE 45 Ca 0.15 0.26 -0.01 0.00 -0.05 0.00 0.00 56.93 57.28 1im3 s PHE 45 Cb 0.07 0.48 0.01 0.00 -0.63 0.00 0.00 43.02 42.94 1im3 s PHE 45 CO -0.04 -0.13 0.03 1.14 -0.05 0.00 0.00 175.22 176.17 1im3 s GLN 46 N -0.97 0.03 -0.23 1.99 -2.07 -0.03 -4.99 119.66 113.40 1im3 s GLN 46 Ca 0.05 0.05 -0.29 0.00 -1.82 0.00 0.00 55.36 53.36 1im3 s GLN 46 Cb -0.01 -0.01 0.01 0.00 -1.09 0.00 0.00 33.01 31.91 1im3 s GLN 46 CO -0.05 -0.02 1.10 0.42 -1.32 0.00 0.00 175.29 175.42 1im3 s ILE 47 N 0.12 4.55 -0.18 3.63 1.01 -1.26 -1.95 121.20 127.11 1im3 s ILE 47 Ca -0.01 1.86 -0.19 0.00 0.00 0.00 0.00 60.65 62.32 1im3 s ILE 47 Cb -0.01 -4.25 -0.21 0.00 0.01 0.00 0.00 42.46 38.00 1im3 s ILE 47 CO -0.00 -0.22 0.28 -0.33 0.00 0.00 0.00 174.94 174.67 1im3 h GLU 48 N 7.76 0.07 -3.97 2.79 5.08 -1.38 -3.49 114.58 121.43 1im3 h GLU 48 Ca -0.21 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 57.91 1im3 h GLU 48 Cb 1.07 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.25 1im3 h GLU 48 CO 0.99 1.06 -0.29 0.34 -1.00 0.00 0.00 179.01 180.10 1im3 s ASP 49 N -6.89 -0.01 0.00 1.42 2.15 -1.09 -4.93 116.67 107.32 1im3 s ASP 49 Ca -0.27 -1.07 0.00 0.00 0.43 0.00 0.00 52.55 51.64 1im3 s ASP 49 Cb 0.06 0.51 0.00 0.00 -0.30 0.00 0.00 42.92 43.19 1im3 s ASP 49 CO 0.64 -1.03 0.00 -3.20 -0.17 0.00 0.00 175.17 171.41 1im3 n ASN 50 N -0.34 0.00 -4.22 -0.34 5.15 -1.25 -2.36 115.26 111.91 1im3 n ASN 50 Ca -0.01 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.85 1im3 n ASN 50 Cb 0.63 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.78 1im3 n ASN 50 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1im3 s ARG 51 N 0.00 1.22 0.06 1.20 0.52 -0.54 -4.93 118.95 116.48 1im3 s ARG 51 Ca 0.00 -1.64 -0.27 0.00 -0.52 0.00 0.00 55.73 53.30 1im3 s ARG 51 Cb 0.00 0.19 0.09 0.00 0.52 0.00 0.00 34.95 35.75 1im3 s ARG 51 CO 0.00 -0.37 0.81 0.00 0.02 0.00 0.00 175.30 175.76 1im3 s TYR 53 N -3.33 -0.57 -0.08 0.00 -0.85 0.13 -2.13 117.35 110.52 1im3 s TYR 53 Ca 0.05 0.72 0.01 0.00 -0.52 0.00 0.00 57.07 57.33 1im3 s TYR 53 Cb -0.01 0.45 -0.02 0.00 0.38 0.00 0.00 41.96 42.75 1im3 s TYR 53 CO -0.09 -0.70 -0.11 0.42 -1.52 0.00 0.00 175.55 173.55 1im3 s ILE 54 N -2.33 3.28 -0.23 -3.49 1.01 -1.26 -1.30 121.20 116.89 1im3 s ILE 54 Ca -0.06 -0.62 -0.03 0.00 0.00 0.00 0.00 60.65 59.94 1im3 s ILE 54 Cb -0.01 -2.33 0.07 0.00 0.01 0.00 0.00 42.46 40.20 1im3 s ILE 54 CO -0.00 0.57 0.07 -0.62 0.00 0.00 0.00 174.94 174.95 1im3 s ASP 55 N -0.38 3.12 -1.10 3.58 2.15 -0.28 -4.90 116.67 118.85 1im3 s ASP 55 Ca 0.04 -1.01 -0.16 0.00 0.43 0.00 0.00 52.55 51.85 1im3 s ASP 55 Cb -0.12 -0.55 -0.03 0.00 -0.30 0.00 0.00 42.92 41.92 1im3 s ASP 55 CO 0.02 -0.35 0.83 0.59 -0.17 0.00 0.00 175.17 176.09 1im3 n ASN 56 N 5.08 -5.75 -0.59 -0.34 3.02 -1.26 -2.84 115.26 112.58 1im3 n ASN 56 Ca -0.07 -0.92 -0.08 0.00 -0.03 0.00 0.00 54.58 53.49 1im3 n ASN 56 Cb 0.46 -3.91 -0.03 0.00 -0.61 0.00 0.00 39.78 35.69 1im3 n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1im3 n GLY 57 N -1.56 0.96 3.06 7.41 0.00 -1.26 -5.01 105.19 108.79 1im3 n GLY 57 Ca -0.09 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.24 1im3 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1im3 s LYS 58 N -2.46 0.75 -0.11 1.61 1.02 -1.13 -2.57 119.74 116.85 1im3 s LYS 58 Ca 0.00 -0.50 -0.07 0.00 0.02 0.00 0.00 55.97 55.41 1im3 s LYS 58 Cb 0.00 -0.71 -0.04 0.00 -0.52 0.00 0.00 37.83 36.56 1im3 s LYS 58 CO 0.00 0.18 0.16 -1.17 -0.92 0.00 0.00 175.35 173.61 1im3 s LEU 59 N -0.66 4.40 -0.10 3.17 2.96 0.68 -1.13 118.68 128.00 1im3 s LEU 59 Ca 0.01 0.50 -0.00 0.00 -0.22 0.00 0.00 54.13 54.42 1im3 s LEU 59 Cb -0.06 -2.14 0.02 0.00 0.50 0.00 0.00 46.19 44.52 1im3 s LEU 59 CO 0.00 0.40 -0.06 -0.36 -1.32 0.00 0.00 176.35 175.01 1im3 s PHE 60 N -1.05 1.28 -0.02 5.38 0.08 -0.42 -1.17 117.98 122.06 1im3 s PHE 60 Ca 0.16 -0.58 -0.00 0.00 0.12 0.00 0.00 56.93 56.63 1im3 s PHE 60 Cb -0.12 -1.10 0.03 0.00 -0.57 0.00 0.00 43.02 41.25 1im3 s PHE 60 CO 0.05 -0.44 0.04 0.00 -0.10 0.00 0.00 175.22 174.78 1im3 s ALA 61 N 1.62 0.02 -0.00 5.36 0.00 -0.34 -0.69 121.76 127.73 1im3 s ALA 61 Ca 0.02 0.31 0.05 0.00 0.00 0.00 0.00 51.96 52.34 1im3 s ALA 61 Cb -0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 1im3 s ALA 61 CO -0.06 -0.10 -0.15 0.50 0.00 0.00 0.00 175.76 175.95 1im3 s ARG 62 N 0.93 1.14 0.28 0.00 3.52 -0.74 0.39 118.95 124.48 1im3 s ARG 62 Ca -0.08 -0.57 -0.21 0.00 -0.13 0.00 0.00 55.73 54.74 1im3 s ARG 62 Cb -0.11 -1.12 0.03 0.00 -1.56 0.00 0.00 34.95 32.19 1im3 s ARG 62 CO -0.03 0.30 0.76 0.20 -0.81 0.00 0.00 175.30 175.72 1im3 s GLY 63 N -0.51 -0.03 -0.11 8.12 0.00 -0.69 -1.47 107.32 112.64 1im3 s GLY 63 Ca 0.05 -0.34 -0.23 0.00 0.00 0.00 0.00 44.72 44.20 1im3 s GLY 63 CO -0.00 -0.08 0.55 -0.45 0.00 0.00 0.00 173.10 173.12 1im3 s SER 64 N -2.95 -0.53 -0.05 1.64 0.15 -0.99 -1.89 113.70 109.07 1im3 s SER 64 Ca 0.12 0.77 -0.02 0.00 0.70 0.00 0.00 55.95 57.52 1im3 s SER 64 Cb -0.05 0.76 0.04 0.00 -1.71 0.00 0.00 66.02 65.05 1im3 s SER 64 CO 0.07 -0.40 0.10 -0.63 1.20 0.00 0.00 173.24 173.58 1im3 s ILE 65 N -0.58 -0.08 0.13 6.45 1.01 -0.12 -0.87 121.20 127.13 1im3 s ILE 65 Ca -0.07 0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.87 1im3 s ILE 65 Cb -0.03 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 42.23 1im3 s ILE 65 CO 0.05 0.10 0.05 0.68 0.00 0.00 0.00 174.94 175.82 1im3 s VAL 66 N 1.35 4.17 0.00 2.92 -7.23 -0.82 -1.05 120.40 119.73 1im3 s VAL 66 Ca -0.07 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.03 1im3 s VAL 66 Cb -0.12 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.76 1im3 s VAL 66 CO -0.05 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 1im3 n GLY 67 N 0.12 -0.67 2.09 2.32 0.00 0.12 -0.85 105.19 108.33 1im3 n GLY 67 Ca -0.09 -1.18 -0.20 0.00 0.00 0.00 0.00 46.02 44.54 1im3 n GLY 67 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1im3 n ASN 68 N 0.00 3.68 -4.75 1.61 6.94 -1.13 -2.47 115.26 119.14 1im3 n ASN 68 Ca 0.00 -3.60 -0.41 0.00 -0.02 0.00 0.00 54.58 50.54 1im3 n ASN 68 Cb 0.00 -0.81 -0.01 0.00 -2.36 0.00 0.00 39.78 36.60 1im3 n ASN 68 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1im3 s MET 69 N -3.27 4.12 0.09 -3.83 1.00 -1.26 -4.33 119.30 111.82 1im3 s MET 69 Ca 0.55 2.58 0.22 0.00 0.00 0.00 0.00 55.69 59.05 1im3 s MET 69 Cb 0.47 -3.01 -0.11 0.00 0.00 0.00 0.00 34.83 32.17 1im3 s MET 69 CO 0.10 -0.62 0.84 -1.13 0.00 0.00 0.00 175.02 174.21 1im3 n SER 70 N 1.91 0.51 -3.94 3.03 3.41 -1.26 -0.47 113.62 116.81 1im3 n SER 70 Ca 0.07 0.11 -0.09 0.00 -0.26 0.00 0.00 58.87 58.69 1im3 n SER 70 Cb 0.38 1.06 -0.07 0.00 -0.26 0.00 0.00 64.21 65.31 1im3 n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1im3 s ARG 71 N -3.39 1.09 0.22 4.33 1.70 -1.26 -4.79 118.95 116.86 1im3 s ARG 71 Ca -0.02 -1.13 -0.17 0.00 -0.47 0.00 0.00 55.73 53.93 1im3 s ARG 71 Cb 0.12 0.37 0.02 0.00 -0.57 0.00 0.00 34.95 34.89 1im3 s ARG 71 CO 0.83 -0.39 0.55 -0.59 -1.08 0.00 0.00 175.30 174.62 1im3 s PHE 72 N -3.95 -0.02 -0.04 5.89 -0.71 -1.26 -2.00 117.98 115.89 1im3 s PHE 72 Ca 0.15 -0.35 -0.00 0.00 -1.04 0.00 0.00 56.93 55.69 1im3 s PHE 72 Cb 0.04 0.40 0.03 0.00 -1.21 0.00 0.00 43.02 42.28 1im3 s PHE 72 CO -0.02 -0.99 0.01 0.08 -1.34 0.00 0.00 175.22 172.96 1im3 s VAL 73 N -3.91 0.15 -0.35 -2.49 1.01 -0.61 -4.98 120.40 109.22 1im3 s VAL 73 Ca 0.13 0.16 -0.10 0.00 0.00 0.00 0.00 61.98 62.17 1im3 s VAL 73 Cb -0.02 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.09 1im3 s VAL 73 CO 0.02 0.17 0.17 0.12 0.00 0.00 0.00 175.10 175.58 1im3 s PHE 74 N 1.43 3.23 -0.63 5.22 5.36 -1.26 -2.37 117.98 128.95 1im3 s PHE 74 Ca -0.04 -0.97 0.05 0.00 -0.96 0.00 0.00 56.93 55.01 1im3 s PHE 74 Cb -0.13 -2.39 0.19 0.00 -0.34 0.00 0.00 43.02 40.35 1im3 s PHE 74 CO -0.03 -0.62 0.52 -3.47 -1.46 0.00 0.00 175.22 170.16 1im3 n ASP 75 N 4.96 2.46 -4.74 6.13 2.03 -0.30 -5.05 116.55 122.04 1im3 n ASP 75 Ca -0.12 -3.10 -0.41 0.00 0.52 0.00 0.00 54.79 51.68 1im3 n ASP 75 Cb 0.46 -0.70 -0.04 0.00 -0.72 0.00 0.00 41.12 40.12 1im3 n ASP 75 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1im3 s PRO 76 N -1.42 4.67 0.05 -0.67 0.04 -1.26 -1.71 135.00 134.70 1im3 s PRO 76 Ca 0.30 1.62 0.06 0.00 0.04 0.00 0.00 61.00 63.02 1im3 s PRO 76 Cb 0.02 -3.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 1im3 s PRO 76 CO -0.14 0.21 -0.17 0.15 0.04 0.00 0.00 177.00 177.08 1im3 s LYS 77 N -0.54 1.11 -0.06 4.56 3.01 0.13 -0.59 119.74 127.37 1im3 s LYS 77 Ca 0.47 -0.90 -0.16 0.00 -1.01 0.00 0.00 55.97 54.37 1im3 s LYS 77 Cb -0.28 -1.19 -0.05 0.00 -1.01 0.00 0.00 37.83 35.30 1im3 s LYS 77 CO 0.34 0.29 0.42 0.00 0.51 0.00 0.00 175.35 176.91 1im3 s ALA 78 N -0.91 3.61 -0.23 5.17 0.00 0.11 -0.91 121.76 128.60 1im3 s ALA 78 Ca 0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 1im3 s ALA 78 Cb -0.09 -2.48 -0.00 0.00 0.00 0.00 0.00 23.12 20.55 1im3 s ALA 78 CO 0.02 0.27 -0.04 0.34 0.00 0.00 0.00 175.76 176.35 1im3 s ASP 79 N -0.32 4.31 -0.28 0.00 -1.08 0.63 -2.55 116.67 117.38 1im3 s ASP 79 Ca 0.24 -0.47 0.10 0.00 -0.52 0.00 0.00 52.55 51.90 1im3 s ASP 79 Cb -0.16 -1.73 0.71 0.00 -1.46 0.00 0.00 42.92 40.28 1im3 s ASP 79 CO 0.11 -0.04 1.71 -1.22 0.52 0.00 0.00 175.17 176.25 1im3 n TYR 80 N 4.78 2.22 -1.31 -5.34 4.01 0.17 -0.54 117.16 121.15 1im3 n TYR 80 Ca -0.18 -1.02 0.00 0.00 -0.16 0.00 0.00 57.90 56.54 1im3 n TYR 80 Cb 0.50 -0.62 0.00 0.00 -0.31 0.00 0.00 39.34 38.91 1im3 n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1im3 n GLY 81 N 0.05 -0.90 0.00 2.72 0.00 -1.26 -4.60 105.19 101.20 1im3 n GLY 81 Ca 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1im3 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1im3 n GLY 82 N -0.35 2.90 3.32 -0.02 0.00 -1.26 -4.99 105.19 104.80 1im3 n GLY 82 Ca 0.00 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 1im3 n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1im3 s VAL 83 N 0.00 1.89 0.00 1.61 0.11 -1.26 -5.13 120.40 117.61 1im3 s VAL 83 Ca 0.00 -1.68 0.00 0.00 -2.93 0.00 0.00 61.98 57.37 1im3 s VAL 83 Cb 0.00 -1.73 0.00 0.00 -1.53 0.00 0.00 36.38 33.12 1im3 s VAL 83 CO 0.00 -0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.31 1im3 n GLY 84 N 0.87 3.88 3.48 6.54 0.00 -1.26 -0.65 105.19 118.05 1im3 n GLY 84 Ca -0.18 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 1im3 n GLY 84 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1im3 s GLU 85 N 1.57 0.98 0.43 1.61 -1.05 -1.06 -4.99 118.70 116.19 1im3 s GLU 85 Ca 0.00 -0.36 -0.24 0.00 -0.15 0.00 0.00 54.97 54.22 1im3 s GLU 85 Cb 0.00 0.45 -0.08 0.00 -0.44 0.00 0.00 34.13 34.06 1im3 s GLU 85 CO 0.00 -0.43 1.17 -0.80 0.95 0.00 0.00 175.26 176.15 1im3 s ASN 86 N -2.57 6.34 0.09 0.83 0.01 -1.26 -0.71 114.94 117.66 1im3 s ASN 86 Ca 0.04 2.33 0.05 0.00 -0.71 0.00 0.00 52.86 54.57 1im3 s ASN 86 Cb -0.01 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 1im3 s ASN 86 CO -0.10 -0.80 -0.01 -0.76 -1.51 0.00 0.00 177.10 173.92 1im3 s LEU 87 N -2.75 3.42 -0.17 0.60 1.43 0.25 -4.79 118.68 116.66 1im3 s LEU 87 Ca 0.60 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 1im3 s LEU 87 Cb -0.30 -2.15 0.02 0.00 0.03 0.00 0.00 46.19 43.79 1im3 s LEU 87 CO 0.37 0.18 -0.19 -0.31 0.23 0.00 0.00 176.35 176.63 1im3 s TYR 88 N -1.30 2.61 0.02 0.29 2.02 -1.26 -4.50 117.35 115.23 1im3 s TYR 88 Ca 0.25 -1.49 0.04 0.00 -0.37 0.00 0.00 57.07 55.50 1im3 s TYR 88 Cb -0.12 -1.82 -0.03 0.00 -0.40 0.00 0.00 41.96 39.59 1im3 s TYR 88 CO 0.18 -0.74 -0.09 0.14 -1.57 0.00 0.00 175.55 173.47 1im3 s VAL 89 N 1.25 3.48 0.52 0.71 -7.23 -1.26 -5.06 120.40 112.81 1im3 s VAL 89 Ca 0.03 -0.89 -0.21 0.00 -1.81 0.00 0.00 61.98 59.09 1im3 s VAL 89 Cb -0.13 -2.52 -0.06 0.00 0.56 0.00 0.00 36.38 34.23 1im3 s VAL 89 CO -0.10 0.35 1.22 -2.28 -0.31 0.00 0.00 175.10 173.98 1im3 s HIS 90 N -1.01 2.60 0.55 2.82 2.46 -1.26 -4.91 115.29 116.54 1im3 s HIS 90 Ca 0.17 1.49 0.23 0.00 0.47 0.00 0.00 55.06 57.42 1im3 s HIS 90 Cb -0.11 -3.51 1.51 0.00 -0.13 0.00 0.00 32.58 30.34 1im3 s HIS 90 CO 0.08 -2.03 2.16 0.00 -2.47 0.00 0.00 174.74 172.48 1im3 h ALA 91 N 1.57 1.87 0.00 1.58 0.00 -1.99 -1.52 119.26 120.78 1im3 h ALA 91 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1im3 h ALA 91 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1im3 h ALA 91 CO 0.58 -0.10 0.00 -0.44 0.00 0.00 0.00 179.25 179.29 1im3 h ASP 92 N 0.00 0.00 -0.31 0.00 3.32 -1.99 -2.01 116.42 115.43 1im3 h ASP 92 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1im3 h ASP 92 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1im3 h ASP 92 CO -0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 1im3 n ASP 93 N -2.99 1.98 -3.92 6.45 10.43 -0.57 -4.79 116.55 123.15 1im3 n ASP 93 Ca -0.01 -1.90 -0.21 0.00 2.57 0.00 0.00 54.79 55.24 1im3 n ASP 93 Cb 0.19 -0.21 -0.16 0.00 1.84 0.00 0.00 41.12 42.78 1im3 n ASP 93 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1im3 s VAL 94 N -1.59 0.67 -0.12 2.53 1.01 -0.76 0.01 120.40 122.15 1im3 s VAL 94 Ca 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1im3 s VAL 94 Cb 0.15 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.89 1im3 s VAL 94 CO 0.21 0.25 -0.10 -1.61 0.00 0.00 0.00 175.10 173.86 1im3 s GLU 95 N 0.85 1.75 -0.10 2.72 2.02 0.16 -4.95 118.70 121.15 1im3 s GLU 95 Ca -0.12 -0.35 0.03 0.00 0.02 0.00 0.00 54.97 54.54 1im3 s GLU 95 Cb -0.15 -1.71 -0.01 0.00 0.10 0.00 0.00 34.13 32.36 1im3 s GLU 95 CO 0.01 -0.23 -0.18 0.12 0.02 0.00 0.00 175.26 175.00 1im3 s PHE 96 N 1.54 2.67 -0.32 1.61 5.36 -1.26 -0.20 117.98 127.37 1im3 s PHE 96 Ca 0.03 -0.69 0.03 0.00 -0.96 0.00 0.00 56.93 55.35 1im3 s PHE 96 Cb -0.13 -1.74 0.09 0.00 -0.34 0.00 0.00 43.02 40.90 1im3 s PHE 96 CO -0.08 -0.21 0.02 0.08 -1.46 0.00 0.00 175.22 173.58 1im3 s VAL 97 N 0.10 2.14 0.15 3.12 1.01 0.55 -5.00 120.40 122.46 1im3 s VAL 97 Ca -0.08 -2.11 -0.33 0.00 0.00 0.00 0.00 61.98 59.46 1im3 s VAL 97 Cb -0.15 -2.51 -0.17 0.00 0.00 0.00 0.00 36.38 33.55 1im3 s VAL 97 CO 0.05 -0.48 1.00 -2.65 0.00 0.00 0.00 175.10 173.02 1im3 n PRO 98 N 4.34 0.67 -0.30 2.72 -0.02 -1.26 -0.48 135.00 140.67 1im3 n PRO 98 Ca -0.00 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1im3 n PRO 98 Cb 0.42 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 1im3 n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1im3 n GLY 99 N 1.86 1.57 1.25 -1.23 0.00 0.38 -4.75 105.19 104.27 1im3 n GLY 99 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1im3 n GLY 99 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1im3 n GLU 100 N -2.00 0.00 -3.68 1.61 1.02 0.37 -3.99 120.64 113.97 1im3 n GLU 100 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 1im3 n GLU 100 Cb 0.00 -0.39 -0.02 0.00 -0.02 0.00 0.00 31.44 31.01 1im3 n GLU 100 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1im3 s SER 101 N -5.51 -0.34 -0.07 1.62 1.04 -0.62 -0.70 113.70 109.12 1im3 s SER 101 Ca 0.00 -0.34 -0.01 0.00 0.48 0.00 0.00 55.95 56.08 1im3 s SER 101 Cb 0.00 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.75 1im3 s SER 101 CO 0.00 -1.07 -0.00 -0.22 0.98 0.00 0.00 173.24 172.93 1im3 s LEU 102 N -2.83 0.65 0.05 2.42 1.98 -0.21 -0.33 118.68 120.40 1im3 s LEU 102 Ca 0.08 -0.10 0.05 0.00 -2.89 0.00 0.00 54.13 51.27 1im3 s LEU 102 Cb -0.03 -0.46 -0.02 0.00 0.66 0.00 0.00 46.19 46.34 1im3 s LEU 102 CO -0.01 -0.18 -0.14 -0.54 -1.89 0.00 0.00 176.35 173.58 1im3 s LYS 103 N 1.91 0.88 0.08 1.98 1.02 0.71 -0.95 119.74 125.38 1im3 s LYS 103 Ca 0.04 -0.83 0.05 0.00 0.02 0.00 0.00 55.97 55.25 1im3 s LYS 103 Cb -0.12 -0.89 -0.03 0.00 -0.52 0.00 0.00 37.83 36.26 1im3 s LYS 103 CO -0.05 0.21 -0.14 1.67 -0.92 0.00 0.00 175.35 176.12 1im3 s TRP 104 N -1.01 1.21 -0.42 3.18 -2.14 -0.79 0.38 118.94 119.35 1im3 s TRP 104 Ca 0.00 -0.50 0.08 0.00 2.66 0.00 0.00 56.10 58.35 1im3 s TRP 104 Cb -0.09 -0.67 0.30 0.00 -3.10 0.00 0.00 33.47 29.92 1im3 s TRP 104 CO 0.02 0.06 0.82 -1.71 -2.66 0.00 0.00 176.95 173.48 1im3 n ASN 105 N 1.10 -0.83 -4.68 -2.66 5.15 0.10 -1.70 115.26 111.75 1im3 n ASN 105 Ca -0.20 -3.19 -0.42 0.00 -0.60 0.00 0.00 54.58 50.17 1im3 n ASN 105 Cb 0.55 0.51 -0.03 0.00 -0.53 0.00 0.00 39.78 40.28 1im3 n ASN 105 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1im3 s VAL 106 N -0.89 3.08 -0.06 3.44 1.01 0.16 -4.63 120.40 122.51 1im3 s VAL 106 Ca 0.33 0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.72 1im3 s VAL 106 Cb 0.28 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1im3 s VAL 106 CO -0.11 -0.01 -0.16 -0.13 0.00 0.00 0.00 175.10 174.69 1im3 s ARG 107 N 3.33 1.99 -1.41 2.72 0.52 -1.26 -1.20 118.95 123.64 1im3 s ARG 107 Ca 0.78 -0.57 -0.09 0.00 -0.52 0.00 0.00 55.73 55.32 1im3 s ARG 107 Cb -0.40 -1.63 0.04 0.00 0.52 0.00 0.00 34.95 33.48 1im3 s ARG 107 CO 0.34 0.14 1.03 0.09 0.02 0.00 0.00 175.30 176.92 1im3 n ASN 108 N 3.51 -4.70 -4.62 0.23 3.02 -0.90 -4.95 115.26 106.85 1im3 n ASN 108 Ca -0.20 -0.68 -0.42 0.00 -0.03 0.00 0.00 54.58 53.25 1im3 n ASN 108 Cb 0.52 -4.47 -0.04 0.00 -0.61 0.00 0.00 39.78 35.18 1im3 n ASN 108 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1im3 s LEU 109 N -7.13 4.03 0.03 3.41 2.96 -0.32 -4.66 118.68 117.00 1im3 s LEU 109 Ca 0.49 0.72 -0.30 0.00 -0.22 0.00 0.00 54.13 54.82 1im3 s LEU 109 Cb -0.23 -3.23 -0.08 0.00 0.50 0.00 0.00 46.19 43.15 1im3 s LEU 109 CO 0.78 -0.74 1.76 -1.81 -1.32 0.00 0.00 176.35 175.02 1im3 s ASP 110 N 1.70 6.56 0.06 3.68 1.01 -1.26 0.25 116.67 128.66 1im3 s ASP 110 Ca 0.37 2.49 0.07 0.00 0.71 0.00 0.00 52.55 56.19 1im3 s ASP 110 Cb -0.13 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.23 1im3 s ASP 110 CO 0.15 -0.96 -0.21 0.68 0.21 0.00 0.00 175.17 175.04 1im3 s VAL 111 N 3.60 1.68 0.88 -1.27 -7.23 -1.06 -4.87 120.40 112.13 1im3 s VAL 111 Ca 0.79 -1.28 -0.10 0.00 -1.81 0.00 0.00 61.98 59.57 1im3 s VAL 111 Cb -0.39 -1.48 0.12 0.00 0.56 0.00 0.00 36.38 35.20 1im3 s VAL 111 CO 0.34 0.14 1.14 -0.04 -0.31 0.00 0.00 175.10 176.38 1im3 s MET 112 N -1.35 1.31 0.42 4.82 -1.94 -1.26 -4.67 119.30 116.63 1im3 s MET 112 Ca 0.07 1.49 0.10 0.00 -1.71 0.00 0.00 55.69 55.64 1im3 s MET 112 Cb -0.09 -1.76 0.94 0.00 2.01 0.00 0.00 34.83 35.93 1im3 s MET 112 CO 0.02 -2.41 2.03 -1.35 -0.01 0.00 0.00 175.02 173.31 1im3 h PRO 113 N -1.66 0.46 0.00 2.03 0.11 -2.00 -1.00 132.00 129.95 1im3 h PRO 113 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1im3 h PRO 113 Cb 1.26 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1im3 h PRO 113 CO 0.44 0.31 0.00 -0.89 -0.21 0.00 0.00 178.00 177.64 1im3 n ILE 114 N -4.48 1.02 -1.66 4.15 5.41 -1.26 -4.80 119.36 117.73 1im3 n ILE 114 Ca 0.06 0.25 -0.46 0.00 1.00 0.00 0.00 62.75 63.60 1im3 n ILE 114 Cb 0.19 -1.14 -0.04 0.00 -0.71 0.00 0.00 39.64 37.93 1im3 n ILE 114 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 1im3 n PHE 115 N -1.33 2.16 0.00 1.39 7.35 -0.38 -4.50 117.46 122.15 1im3 n PHE 115 Ca 0.03 0.34 0.00 0.00 -0.76 0.00 0.00 57.45 57.06 1im3 n PHE 115 Cb 0.06 -2.50 0.00 0.00 0.35 0.00 0.00 39.48 37.38 1im3 n PHE 115 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1im3 n GLU 116 N 3.05 0.00 -4.36 -4.13 1.02 0.30 -4.99 120.64 111.54 1im3 n GLU 116 Ca 0.16 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.08 1im3 n GLU 116 Cb 0.28 -0.08 -0.11 0.00 -0.02 0.00 0.00 31.44 31.51 1im3 n GLU 116 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1im3 s THR 117 N -0.45 1.93 -0.31 2.62 -4.23 -0.93 -4.37 115.64 109.91 1im3 s THR 117 Ca 0.00 -2.03 -0.20 0.00 -1.18 0.00 0.00 61.69 58.28 1im3 s THR 117 Cb 0.00 -1.96 -0.01 0.00 1.34 0.00 0.00 72.50 71.88 1im3 s THR 117 CO 0.00 -0.35 0.61 -0.22 -0.54 0.00 0.00 174.62 174.12 1im3 s LEU 118 N -2.87 4.17 -0.36 4.79 2.96 0.14 -0.27 118.68 127.24 1im3 s LEU 118 Ca 0.19 0.36 -0.13 0.00 -0.22 0.00 0.00 54.13 54.34 1im3 s LEU 118 Cb -0.05 -2.78 0.01 0.00 0.50 0.00 0.00 46.19 43.86 1im3 s LEU 118 CO 0.08 -0.48 0.24 0.00 -1.32 0.00 0.00 176.35 174.87 1im3 s ALA 119 N 2.59 3.42 -0.38 5.97 0.00 -0.08 -1.05 121.76 132.22 1im3 s ALA 119 Ca 0.24 -1.56 -0.07 0.00 0.00 0.00 0.00 51.96 50.57 1im3 s ALA 119 Cb -0.15 -2.68 0.06 0.00 0.00 0.00 0.00 23.12 20.35 1im3 s ALA 119 CO 0.12 -1.20 0.18 -1.17 0.00 0.00 0.00 175.76 173.70 1im3 s LEU 120 N 1.66 4.77 -0.14 0.00 2.96 -0.15 0.22 118.68 128.01 1im3 s LEU 120 Ca 0.05 -1.37 -0.18 0.00 -0.22 0.00 0.00 54.13 52.41 1im3 s LEU 120 Cb -0.18 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1im3 s LEU 120 CO 0.09 -0.44 0.46 -0.60 -1.32 0.00 0.00 176.35 174.54 1im3 s ARG 121 N 1.39 4.31 0.02 1.98 3.52 -0.70 -0.37 118.95 129.10 1im3 s ARG 121 Ca 0.01 0.39 0.05 0.00 -0.13 0.00 0.00 55.73 56.05 1im3 s ARG 121 Cb -0.21 -3.45 -0.02 0.00 -1.56 0.00 0.00 34.95 29.71 1im3 s ARG 121 CO 0.02 0.12 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.98 1im3 s LEU 122 N 0.76 2.11 -0.17 -0.88 1.43 0.07 -1.14 118.68 120.85 1im3 s LEU 122 Ca 0.24 -0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1im3 s LEU 122 Cb -0.15 -0.66 0.04 0.00 0.03 0.00 0.00 46.19 45.45 1im3 s LEU 122 CO 0.09 0.10 -0.07 0.54 0.23 0.00 0.00 176.35 177.24 1im3 s VAL 123 N -0.62 1.22 -0.24 -1.59 0.11 -1.00 -1.13 120.40 117.15 1im3 s VAL 123 Ca 0.03 -0.66 -0.04 0.00 -2.93 0.00 0.00 61.98 58.38 1im3 s VAL 123 Cb -0.07 -1.35 0.00 0.00 -1.53 0.00 0.00 36.38 33.44 1im3 s VAL 123 CO 0.01 0.18 -0.03 -0.76 -3.33 0.00 0.00 175.10 171.16 1im3 s LEU 124 N 1.59 3.12 -1.16 2.54 1.43 0.37 -1.57 118.68 125.00 1im3 s LEU 124 Ca 0.01 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1im3 s LEU 124 Cb -0.15 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1im3 s LEU 124 CO -0.08 -0.07 0.00 0.00 0.23 0.00 0.00 176.35 176.43 1im3 n GLN 125 N 4.78 -2.14 0.00 1.70 1.13 -0.85 -0.22 117.38 121.79 1im3 n GLN 125 Ca -0.17 0.66 0.00 0.00 -1.94 0.00 0.00 57.00 55.55 1im3 n GLN 125 Cb 0.49 -5.26 0.00 0.00 0.11 0.00 0.00 30.24 25.58 1im3 n GLN 125 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1im3 n GLY 126 N -0.82 2.33 3.72 1.08 0.00 -1.26 -5.03 105.19 105.20 1im3 n GLY 126 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1im3 n GLY 126 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1im3 s ASP 127 N -1.76 6.97 -0.07 1.61 1.01 0.70 -5.02 116.67 120.11 1im3 s ASP 127 Ca 0.00 1.17 -0.16 0.00 0.71 0.00 0.00 52.55 54.27 1im3 s ASP 127 Cb 0.00 -2.40 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 1im3 s ASP 127 CO 0.00 -0.10 0.41 -0.69 0.21 0.00 0.00 175.17 175.00 1im3 s VAL 128 N 0.75 5.14 -0.05 -1.27 1.01 -1.26 -0.48 120.40 124.24 1im3 s VAL 128 Ca 0.37 0.83 -0.06 0.00 0.00 0.00 0.00 61.98 63.12 1im3 s VAL 128 Cb -0.18 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.48 1im3 s VAL 128 CO 0.18 0.45 0.15 0.27 0.00 0.00 0.00 175.10 176.15 1im3 s ILE 129 N -0.19 0.02 -0.09 2.22 -4.36 -0.29 -5.00 121.20 113.51 1im3 s ILE 129 Ca 0.23 -0.14 -0.01 0.00 -0.26 0.00 0.00 60.65 60.48 1im3 s ILE 129 Cb -0.15 -0.26 -0.03 0.00 1.25 0.00 0.00 42.46 43.27 1im3 s ILE 129 CO 0.10 -0.07 -0.05 0.26 0.24 0.00 0.00 174.94 175.42 1im3 s TRP 130 N -0.20 2.99 0.20 1.37 0.52 -1.26 -0.75 118.94 121.81 1im3 s TRP 130 Ca -0.03 -0.05 0.10 0.00 0.02 0.00 0.00 56.10 56.14 1im3 s TRP 130 Cb -0.02 -1.79 -0.04 0.00 -1.15 0.00 0.00 33.47 30.46 1im3 s TRP 130 CO 0.00 0.25 -0.14 -0.51 0.02 0.00 0.00 176.95 176.57 1im3 s LEU 131 N -0.50 2.79 -0.05 2.99 1.02 0.50 -4.97 118.68 120.46 1im3 s LEU 131 Ca 0.08 -0.72 0.02 0.00 0.02 0.00 0.00 54.13 53.53 1im3 s LEU 131 Cb -0.12 -1.45 0.01 0.00 0.02 0.00 0.00 46.19 44.65 1im3 s LEU 131 CO 0.02 0.09 -0.11 -0.60 0.02 0.00 0.00 176.35 175.77 1im3 s ARG 132 N -2.95 1.43 -0.09 1.70 3.52 -1.26 -0.98 118.95 120.32 1im3 s ARG 132 Ca 0.25 -0.37 0.01 0.00 -0.13 0.00 0.00 55.73 55.49 1im3 s ARG 132 Cb -0.08 -1.23 0.02 0.00 -1.56 0.00 0.00 34.95 32.10 1im3 s ARG 132 CO 0.14 0.06 -0.12 0.00 -0.81 0.00 0.00 175.30 174.57 1im3 s VAL 134 N 1.05 5.31 0.42 0.00 1.01 -1.26 -0.68 120.40 126.24 1im3 s VAL 134 Ca -0.07 0.30 -0.25 0.00 0.00 0.00 0.00 61.98 61.96 1im3 s VAL 134 Cb -0.15 -3.56 -0.10 0.00 0.00 0.00 0.00 36.38 32.57 1im3 s VAL 134 CO -0.01 0.30 1.18 -2.65 0.00 0.00 0.00 175.10 173.92 1im3 n PRO 135 N 4.52 1.73 0.00 2.72 -0.02 -1.26 -4.59 135.00 138.10 1im3 n PRO 135 Ca -0.13 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1im3 n PRO 135 Cb 0.52 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1im3 n PRO 135 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1im3 n GLU 136 N 0.08 0.00 0.00 -0.52 1.02 -0.91 -4.93 120.64 115.38 1im3 n GLU 136 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1im3 n GLU 136 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.81 1im3 n GLU 136 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59