#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vee s SER 2 N 0.00 0.14 -0.29 1.61 0.01 -1.26 -5.13 113.70 108.79 1vee s SER 2 Ca 0.00 0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.52 1vee s SER 2 Cb 0.00 0.14 0.16 0.00 0.21 0.00 0.00 66.02 66.52 1vee s SER 2 CO 0.00 -0.17 0.41 -0.55 0.41 0.00 0.00 173.24 173.34 1vee s SER 3 N 1.41 0.41 1.70 2.44 0.15 -1.26 -5.11 113.70 113.44 1vee s SER 3 Ca -0.06 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1vee s SER 3 Cb -0.12 1.09 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1vee s SER 3 CO -0.05 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1vee n GLY 4 N 5.35 3.08 2.43 9.45 0.00 -1.26 -4.05 105.19 120.20 1vee n GLY 4 Ca 0.00 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1vee n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vee s SER 5 N -4.00 1.31 0.19 1.61 0.15 -1.22 -5.02 113.70 106.72 1vee s SER 5 Ca 0.00 -2.86 -0.32 0.00 0.70 0.00 0.00 55.95 53.47 1vee s SER 5 Cb 0.00 -0.23 -0.12 0.00 -1.71 0.00 0.00 66.02 63.96 1vee s SER 5 CO 0.00 -0.18 1.76 -1.54 1.20 0.00 0.00 173.24 174.49 1vee n SER 6 N 2.98 4.04 -3.30 5.45 3.41 -1.26 -1.52 113.62 123.43 1vee n SER 6 Ca 0.27 1.04 -0.06 0.00 -0.26 0.00 0.00 58.87 59.86 1vee n SER 6 Cb 0.48 -1.57 -0.06 0.00 -0.26 0.00 0.00 64.21 62.79 1vee n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1vee s GLY 7 N 1.62 -0.55 0.43 5.00 0.00 -0.11 -4.83 107.32 108.88 1vee s GLY 7 Ca 0.77 1.08 -0.16 0.00 0.00 0.00 0.00 44.72 46.41 1vee s GLY 7 CO 0.33 2.84 -0.10 1.44 0.00 0.00 0.00 173.10 177.62 1vee n SER 8 N 5.38 -3.16 -0.21 1.64 7.64 -1.26 -3.87 113.62 119.77 1vee n SER 8 Ca -0.03 0.58 0.02 0.00 1.01 0.00 0.00 58.87 60.45 1vee n SER 8 Cb 0.50 -0.74 0.12 0.00 -1.01 0.00 0.00 64.21 63.08 1vee n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vee h ALA 9 N 0.01 0.69 0.17 -0.43 0.00 -1.79 0.11 119.26 118.02 1vee h ALA 9 Ca -0.36 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1vee h ALA 9 Cb 1.27 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1vee h ALA 9 CO 0.37 -0.38 -0.08 0.87 0.00 0.00 0.00 179.25 180.03 1vee h LYS 10 N 0.15 -0.22 -0.49 0.00 1.57 -1.89 0.09 116.57 115.78 1vee h LYS 10 Ca 0.34 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.20 1vee h LYS 10 Cb 0.56 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.87 1vee h LYS 10 CO -0.52 -0.12 0.18 -0.97 -0.57 0.00 0.00 179.45 177.45 1vee h ASN 11 N -0.27 0.19 -0.33 0.86 -1.24 -1.47 0.62 115.58 113.94 1vee h ASN 11 Ca -0.02 0.06 0.01 0.00 0.71 0.00 0.00 56.30 57.05 1vee h ASN 11 Cb 0.21 0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.27 1vee h ASN 11 CO 0.04 0.14 0.21 0.00 -1.29 0.00 0.00 177.43 176.53 1vee h ALA 12 N 1.32 0.42 0.08 1.57 0.00 -0.55 0.16 119.26 122.26 1vee h ALA 12 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1vee h ALA 12 Cb 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1vee h ALA 12 CO -0.23 -0.14 -0.08 -0.92 0.00 0.00 0.00 179.25 177.88 1vee h TYR 13 N 0.42 -0.20 -0.74 0.00 3.20 -0.20 -0.96 116.97 118.50 1vee h TYR 13 Ca 0.12 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1vee h TYR 13 Cb -0.03 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1vee h TYR 13 CO -0.06 -0.12 0.40 1.15 -1.64 0.00 0.00 178.16 177.89 1vee h THR 14 N -0.17 1.22 -0.26 1.81 2.02 -0.72 -2.81 112.91 114.01 1vee h THR 14 Ca 0.00 -0.56 0.04 0.00 0.77 0.00 0.00 66.41 66.66 1vee h THR 14 Cb 0.17 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 1vee h THR 14 CO -0.02 0.25 0.05 0.11 0.37 0.00 0.00 175.52 176.28 1vee h LYS 15 N 1.02 0.14 0.00 6.66 1.79 -0.27 -0.18 116.57 125.73 1vee h LYS 15 Ca 0.26 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1vee h LYS 15 Cb 0.04 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1vee h LYS 15 CO -0.04 0.09 0.00 -0.07 -1.08 0.00 0.00 179.45 178.35 1vee h LEU 16 N 0.15 0.00 -0.40 2.94 3.38 -0.94 0.46 115.31 120.90 1vee h LEU 16 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1vee h LEU 16 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1vee h LEU 16 CO -0.16 0.00 -0.49 0.61 0.09 0.00 0.00 178.44 178.49 1vee n GLY 17 N -1.00 -0.69 0.00 0.83 0.00 -0.13 -4.17 105.19 100.03 1vee n GLY 17 Ca -0.03 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1vee n GLY 17 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1vee n THR 18 N -0.87 0.00 -4.14 2.61 5.66 -0.54 -5.05 114.28 111.95 1vee n THR 18 Ca 0.08 -0.47 -0.28 0.00 -3.05 0.00 0.00 64.05 60.34 1vee n THR 18 Cb 0.37 1.01 -0.03 0.00 -1.55 0.00 0.00 70.33 70.13 1vee n THR 18 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1vee s ASP 19 N -0.83 4.49 0.00 1.09 2.15 0.04 -5.08 116.67 118.53 1vee s ASP 19 Ca 0.00 -1.36 0.00 0.00 0.43 0.00 0.00 52.55 51.62 1vee s ASP 19 Cb 0.00 0.44 0.00 0.00 -0.30 0.00 0.00 42.92 43.06 1vee s ASP 19 CO 0.00 -1.03 0.00 -0.67 -0.17 0.00 0.00 175.17 173.30 1vee n ASP 20 N -1.62 0.20 0.00 -0.34 2.03 -1.26 -4.77 116.55 110.80 1vee n ASP 20 Ca -0.07 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.33 1vee n ASP 20 Cb 0.65 0.00 0.49 0.00 -0.72 0.00 0.00 41.12 41.54 1vee n ASP 20 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1vee n ASN 21 N -2.74 0.00 -4.67 1.67 3.02 -1.26 -4.73 115.26 106.55 1vee n ASN 21 Ca 0.00 -0.27 -0.43 0.00 -0.03 0.00 0.00 54.58 53.85 1vee n ASN 21 Cb 0.30 -0.14 -0.02 0.00 -0.61 0.00 0.00 39.78 39.30 1vee n ASN 21 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vee s ALA 22 N -2.28 3.60 0.04 5.41 0.00 -1.26 -1.81 121.76 125.46 1vee s ALA 22 Ca 0.22 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.65 1vee s ALA 22 Cb 0.12 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 1vee s ALA 22 CO 0.24 -1.00 -0.07 -0.65 0.00 0.00 0.00 175.76 174.28 1vee s GLN 23 N 2.99 0.50 0.01 0.00 -1.52 -0.79 -4.85 119.66 116.00 1vee s GLN 23 Ca 0.53 -0.70 -0.26 0.00 -1.95 0.00 0.00 55.36 52.97 1vee s GLN 23 Cb -0.21 -0.26 -0.04 0.00 -0.22 0.00 0.00 33.01 32.27 1vee s GLN 23 CO 0.15 0.05 0.83 -1.17 -0.25 0.00 0.00 175.29 174.89 1vee s LEU 24 N -1.45 4.40 -0.30 2.90 1.98 -1.15 -2.20 118.68 122.85 1vee s LEU 24 Ca -0.10 1.47 -0.03 0.00 -2.89 0.00 0.00 54.13 52.58 1vee s LEU 24 Cb -0.09 -3.32 0.04 0.00 0.66 0.00 0.00 46.19 43.48 1vee s LEU 24 CO 0.00 -0.10 0.01 -0.22 -1.89 0.00 0.00 176.35 174.15 1vee s LEU 25 N 0.47 3.86 -0.33 -0.68 2.96 0.23 -1.74 118.68 123.45 1vee s LEU 25 Ca 0.43 -1.15 -0.16 0.00 -0.22 0.00 0.00 54.13 53.03 1vee s LEU 25 Cb -0.20 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 1vee s LEU 25 CO 0.24 -0.25 0.40 -1.81 -1.32 0.00 0.00 176.35 173.61 1vee s ASP 26 N 1.31 6.22 0.00 3.68 1.11 -0.40 -1.47 116.67 127.12 1vee s ASP 26 Ca -0.03 -0.06 0.22 0.00 0.18 0.00 0.00 52.55 52.86 1vee s ASP 26 Cb -0.19 -2.21 0.60 0.00 1.07 0.00 0.00 42.92 42.19 1vee s ASP 26 CO -0.01 -0.33 1.51 2.30 1.18 0.00 0.00 175.17 179.82 1vee n ILE 27 N 5.25 0.88 -0.94 0.77 -5.35 -1.22 -1.67 119.36 117.09 1vee n ILE 27 Ca -0.08 -0.92 -0.30 0.00 -0.27 0.00 0.00 62.75 61.18 1vee n ILE 27 Cb 0.50 0.57 0.16 0.00 -1.74 0.00 0.00 39.64 39.13 1vee n ILE 27 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1vee s ARG 28 N -1.12 0.91 0.27 6.28 0.52 -1.26 -2.70 118.95 121.84 1vee s ARG 28 Ca 0.47 1.09 -0.29 0.00 -0.52 0.00 0.00 55.73 56.47 1vee s ARG 28 Cb 0.25 -1.75 -0.09 0.00 0.52 0.00 0.00 34.95 33.88 1vee s ARG 28 CO 0.33 -2.56 1.10 0.00 0.02 0.00 0.00 175.30 174.19 1vee s ALA 29 N -2.75 3.41 0.31 2.13 0.00 -1.26 -4.06 121.76 119.53 1vee s ALA 29 Ca 0.65 0.89 0.08 0.00 0.00 0.00 0.00 51.96 53.58 1vee s ALA 29 Cb -0.21 -3.33 0.89 0.00 0.00 0.00 0.00 23.12 20.48 1vee s ALA 29 CO 0.59 -0.16 1.67 1.15 0.00 0.00 0.00 175.76 179.01 1vee h THR 30 N 3.15 0.36 -0.93 0.00 2.02 -2.00 -0.85 112.91 114.67 1vee h THR 30 Ca -0.46 -0.11 0.13 0.00 0.77 0.00 0.00 66.41 66.73 1vee h THR 30 Cb 1.21 -0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.53 1vee h THR 30 CO 0.67 0.06 0.55 0.00 0.37 0.00 0.00 175.52 177.18 1vee h ALA 31 N 1.79 1.40 -0.64 6.16 0.00 -2.01 -1.90 119.26 124.06 1vee h ALA 31 Ca 0.64 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.60 1vee h ALA 31 Cb 1.35 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1vee h ALA 31 CO -0.59 0.11 0.42 0.22 0.00 0.00 0.00 179.25 179.41 1vee h ASP 32 N 0.85 0.72 -0.06 0.00 3.58 -1.53 -1.85 116.42 118.13 1vee h ASP 32 Ca 0.47 -0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.92 1vee h ASP 32 Cb 0.53 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.40 1vee h ASP 32 CO -0.29 0.52 0.17 -0.26 -2.88 0.00 0.00 179.24 176.50 1vee h PHE 33 N 0.86 0.00 0.00 0.28 -1.00 -1.43 0.26 116.94 115.91 1vee h PHE 33 Ca 0.24 0.00 -0.17 0.00 2.81 0.00 0.00 57.97 60.85 1vee h PHE 33 Cb -0.09 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.45 1vee h PHE 33 CO -0.03 0.00 -1.01 0.00 -1.61 0.00 0.00 178.31 175.66 1vee h ARG 34 N 0.00 0.00 0.00 1.51 3.08 -1.36 -2.94 114.38 114.67 1vee h ARG 34 Ca 0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1vee h ARG 34 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1vee h ARG 34 CO -0.00 0.54 -0.63 1.04 -1.07 0.00 0.00 179.97 179.86 1vee n GLN 35 N -3.13 0.47 0.09 0.04 6.02 0.42 -4.70 117.38 116.58 1vee n GLN 35 Ca -0.04 0.50 -0.15 0.00 -0.01 0.00 0.00 57.00 57.29 1vee n GLN 35 Cb 0.84 -1.67 -0.14 0.00 1.02 0.00 0.00 30.24 30.30 1vee n GLN 35 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1vee h VAL 36 N -1.00 1.39 0.00 5.09 3.04 -0.85 -3.42 116.25 120.50 1vee h VAL 36 Ca -0.03 -3.00 0.00 0.00 -1.01 0.00 0.00 66.70 62.66 1vee h VAL 36 Cb 0.62 2.87 0.00 0.00 -2.01 0.00 0.00 31.29 32.77 1vee h VAL 36 CO -0.02 0.87 0.00 0.61 -1.01 0.00 0.00 177.57 178.02 1vee n GLY 37 N 1.56 0.51 3.34 3.17 0.00 -1.11 -4.38 105.19 108.28 1vee n GLY 37 Ca -0.10 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.04 1vee n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vee s SER 38 N -4.00 -0.31 0.21 1.61 1.04 -0.35 -4.40 113.70 107.49 1vee s SER 38 Ca 0.00 -0.03 -0.30 0.00 0.48 0.00 0.00 55.95 56.10 1vee s SER 38 Cb 0.00 0.45 -0.08 0.00 0.10 0.00 0.00 66.02 66.49 1vee s SER 38 CO 0.00 -0.73 1.19 -2.16 0.98 0.00 0.00 173.24 172.53 1vee s PRO 39 N -2.79 4.50 -1.05 4.02 0.04 -1.26 -1.50 135.00 136.96 1vee s PRO 39 Ca -0.03 1.89 -0.07 0.00 0.04 0.00 0.00 61.00 62.83 1vee s PRO 39 Cb -0.00 -3.22 0.26 0.00 0.04 0.00 0.00 34.50 31.58 1vee s PRO 39 CO -0.05 -0.06 1.01 0.54 0.04 0.00 0.00 177.00 178.48 1vee s ASN 40 N -0.03 6.91 0.00 6.66 6.03 -1.26 -4.86 114.94 128.39 1vee s ASN 40 Ca 0.52 -3.65 0.21 0.00 -1.03 0.00 0.00 52.86 48.90 1vee s ASN 40 Cb -0.33 -2.11 1.25 0.00 -3.03 0.00 0.00 41.25 37.03 1vee s ASN 40 CO 0.38 -0.25 1.74 2.30 -2.03 0.00 0.00 177.10 179.24 1vee n ILE 41 N 2.56 0.00 -0.34 0.54 -5.35 -1.26 -4.14 119.36 111.37 1vee n ILE 41 Ca 0.23 0.00 0.33 0.00 -0.27 0.00 0.00 62.75 63.04 1vee n ILE 41 Cb 0.38 -0.43 0.69 0.00 -1.74 0.00 0.00 39.64 38.55 1vee n ILE 41 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 1vee h LYS 42 N 0.00 0.10 -0.20 6.28 2.10 -1.90 -0.93 116.57 122.01 1vee h LYS 42 Ca 0.00 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1vee h LYS 42 Cb 0.00 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.30 1vee h LYS 42 CO 0.00 0.06 0.10 0.78 -2.00 0.00 0.00 179.45 178.39 1vee h GLY 43 N 0.10 0.29 1.03 0.07 0.00 -1.93 -2.20 103.07 100.44 1vee h GLY 43 Ca 0.60 -0.12 -0.34 0.00 0.00 0.00 0.00 47.33 47.47 1vee h GLY 43 CO -0.10 0.11 -1.68 1.41 0.00 0.00 0.00 176.54 176.29 1vee h LEU 44 N 0.28 0.54 0.00 3.11 3.38 -1.51 -3.49 115.31 117.61 1vee h LEU 44 Ca 0.07 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.26 1vee h LEU 44 Cb 0.03 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1vee h LEU 44 CO -0.01 1.66 0.00 0.61 0.09 0.00 0.00 178.44 180.79 1vee n GLY 45 N 1.79 0.76 3.43 0.83 0.00 -0.83 -5.00 105.19 106.17 1vee n GLY 45 Ca -0.22 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 44.92 1vee n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vee s LYS 46 N -1.24 1.87 0.20 1.61 -0.14 -1.25 -5.02 119.74 115.77 1vee s LYS 46 Ca 0.00 -1.85 0.02 0.00 -1.36 0.00 0.00 55.97 52.78 1vee s LYS 46 Cb 0.00 0.41 -0.05 0.00 -1.68 0.00 0.00 37.83 36.51 1vee s LYS 46 CO 0.00 -0.75 0.01 0.21 -0.76 0.00 0.00 175.35 174.06 1vee s LYS 47 N -3.15 1.22 0.32 1.68 2.20 -1.26 -3.98 119.74 116.77 1vee s LYS 47 Ca 0.34 -1.61 0.09 0.00 -0.36 0.00 0.00 55.97 54.43 1vee s LYS 47 Cb 0.00 -0.37 -0.05 0.00 -1.51 0.00 0.00 37.83 35.90 1vee s LYS 47 CO 0.23 -0.14 -0.02 0.00 -0.36 0.00 0.00 175.35 175.05 1vee s ALA 48 N -3.60 3.13 -0.03 3.13 0.00 -1.26 -2.92 121.76 120.21 1vee s ALA 48 Ca 0.27 -1.93 -0.00 0.00 0.00 0.00 0.00 51.96 50.30 1vee s ALA 48 Cb 0.06 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.83 1vee s ALA 48 CO 0.07 0.12 0.02 0.08 0.00 0.00 0.00 175.76 176.04 1vee s VAL 49 N -2.50 0.06 -0.26 0.00 1.01 -0.71 -4.96 120.40 113.03 1vee s VAL 49 Ca 0.34 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.38 1vee s VAL 49 Cb -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 36.13 1vee s VAL 49 CO 0.19 0.13 0.21 -0.94 0.00 0.00 0.00 175.10 174.69 1vee s SER 50 N 1.21 6.10 -0.25 3.32 1.04 -1.26 -1.28 113.70 122.58 1vee s SER 50 Ca -0.07 0.09 -0.02 0.00 0.48 0.00 0.00 55.95 56.43 1vee s SER 50 Cb -0.13 -2.13 0.13 0.00 0.10 0.00 0.00 66.02 63.98 1vee s SER 50 CO -0.02 -0.03 0.32 -0.89 0.98 0.00 0.00 173.24 173.59 1vee s THR 51 N 1.54 -0.48 -0.22 2.02 2.01 -0.67 -5.00 115.64 114.85 1vee s THR 51 Ca 0.09 -0.21 -0.28 0.00 0.31 0.00 0.00 61.69 61.60 1vee s THR 51 Cb -0.15 -0.84 -0.05 0.00 0.01 0.00 0.00 72.50 71.47 1vee s THR 51 CO 0.09 -0.25 2.23 0.52 -0.69 0.00 0.00 174.62 176.51 1vee n VAL 52 N 5.34 0.35 -1.63 3.82 0.31 -1.26 -4.23 118.33 121.02 1vee n VAL 52 Ca -0.03 -0.46 -0.30 0.00 -0.01 0.00 0.00 64.34 63.53 1vee n VAL 52 Cb 0.49 -2.58 0.07 0.00 -0.91 0.00 0.00 33.84 30.91 1vee n VAL 52 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1vee s TYR 53 N 8.32 3.05 -0.28 3.52 5.04 -1.10 -4.89 117.35 131.01 1vee s TYR 53 Ca 1.01 1.22 -0.22 0.00 -2.44 0.00 0.00 57.07 56.64 1vee s TYR 53 Cb -0.33 -3.01 0.12 0.00 0.35 0.00 0.00 41.96 39.09 1vee s TYR 53 CO 0.35 -1.44 0.96 1.21 -1.34 0.00 0.00 175.55 175.29 1vee s ASN 54 N -3.96 -0.53 0.55 4.32 3.84 -1.26 -5.01 114.94 112.88 1vee s ASN 54 Ca 0.59 0.96 0.28 0.00 0.21 0.00 0.00 52.86 54.90 1vee s ASN 54 Cb -0.13 1.06 1.62 0.00 -0.55 0.00 0.00 41.25 43.24 1vee s ASN 54 CO 0.54 -0.16 2.16 1.23 -2.79 0.00 0.00 177.10 178.08 1vee h GLY 55 N 5.01 0.00 0.20 1.21 0.00 -1.99 -2.48 103.07 105.02 1vee h GLY 55 Ca -0.28 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 1vee h GLY 55 CO 0.13 0.00 -0.00 0.83 0.00 0.00 0.00 176.54 177.50 1vee h GLU 56 N 0.00 -0.01 -0.94 4.80 5.08 -2.03 -3.33 114.58 118.15 1vee h GLU 56 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1vee h GLU 56 Cb 0.17 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1vee h GLU 56 CO 0.01 0.77 0.08 -0.25 -1.00 0.00 0.00 179.01 178.61 1vee n ASP 57 N -4.71 2.66 -0.27 1.42 8.00 -1.05 -4.59 116.55 118.00 1vee n ASP 57 Ca -0.09 -2.32 -0.01 0.00 0.71 0.00 0.00 54.79 53.08 1vee n ASP 57 Cb 0.38 -0.57 0.06 0.00 -0.02 0.00 0.00 41.12 40.97 1vee n ASP 57 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1vee h LYS 58 N 0.69 -0.05 -0.40 -1.24 1.57 -1.57 0.19 116.57 115.75 1vee h LYS 58 Ca 0.07 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1vee h LYS 58 Cb 1.15 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 1vee h LYS 58 CO 0.20 -0.04 0.15 -1.00 -0.57 0.00 0.00 179.45 178.20 1vee h PRO 59 N -0.06 0.60 -0.71 3.15 0.13 -1.91 -1.25 132.00 131.96 1vee h PRO 59 Ca 0.33 -0.11 0.09 0.00 -0.87 0.00 0.00 66.00 65.43 1vee h PRO 59 Cb 0.58 -0.10 -0.07 0.00 0.13 0.00 0.00 31.00 31.55 1vee h PRO 59 CO -0.81 0.58 0.36 0.78 -0.23 0.00 0.00 178.00 178.68 1vee h GLY 60 N 0.50 1.06 0.75 1.56 0.00 -1.44 -1.55 103.07 103.94 1vee h GLY 60 Ca 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1vee h GLY 60 CO -0.01 0.08 -0.11 -2.75 0.00 0.00 0.00 176.54 173.75 1vee h PHE 61 N 0.63 -0.29 -0.56 5.60 3.57 -0.51 -3.15 116.94 122.23 1vee h PHE 61 Ca 0.34 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.94 1vee h PHE 61 Cb 0.33 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.08 1vee h PHE 61 CO -0.10 -0.00 0.08 -0.07 -2.23 0.00 0.00 178.31 175.99 1vee h LEU 62 N -0.57 -0.07 -0.56 0.59 3.38 -0.86 -1.51 115.31 115.71 1vee h LEU 62 Ca -0.03 0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.16 1vee h LEU 62 Cb 0.42 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.25 1vee h LEU 62 CO 0.05 -0.02 0.08 0.11 0.09 0.00 0.00 178.44 178.76 1vee h LYS 63 N 0.21 0.20 -0.85 1.13 1.57 -1.28 -0.25 116.57 117.30 1vee h LYS 63 Ca 0.29 -0.01 0.25 0.00 -1.87 0.00 0.00 60.65 59.30 1vee h LYS 63 Cb 0.43 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1vee h LYS 63 CO -0.40 0.14 0.64 0.87 -0.57 0.00 0.00 179.45 180.12 1vee h LYS 64 N 0.21 0.00 0.00 3.15 1.79 -1.23 0.19 116.57 120.68 1vee h LYS 64 Ca 0.29 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.54 1vee h LYS 64 Cb 0.43 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.05 1vee h LYS 64 CO -0.40 0.00 -1.21 -0.07 -1.08 0.00 0.00 179.45 176.69 1vee h LEU 65 N 0.00 0.00 -1.73 2.94 -0.00 -1.12 -3.33 115.31 112.07 1vee h LEU 65 Ca 0.41 -0.50 0.11 0.00 -0.00 0.00 0.00 57.88 57.90 1vee h LEU 65 Cb 1.68 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 42.31 1vee h LEU 65 CO -0.00 1.46 0.39 0.28 -0.00 0.00 0.00 178.44 180.56 1vee h SER 66 N -1.00 0.27 0.47 -0.43 0.02 -0.51 0.52 113.55 112.89 1vee h SER 66 Ca -0.33 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1vee h SER 66 Cb 1.27 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1vee h SER 66 CO -0.20 0.16 -0.03 0.00 -1.14 0.00 0.00 176.83 175.62 1vee n LEU 67 N -4.45 0.12 -0.04 5.07 -0.00 0.60 -4.00 117.00 114.30 1vee n LEU 67 Ca 0.10 0.19 -0.06 0.00 -0.00 0.00 0.00 56.01 56.23 1vee n LEU 67 Cb 0.43 -0.24 -0.04 0.00 -0.00 0.00 0.00 43.42 43.58 1vee n LEU 67 CO 0.34 0.02 -0.77 2.29 -0.00 0.00 0.00 177.39 179.28 1vee n LYS 68 N -1.18 0.20 -1.85 1.47 -0.00 -0.18 -5.05 118.16 111.56 1vee n LYS 68 Ca 0.15 0.05 -0.30 0.00 -0.00 0.00 0.00 58.31 58.21 1vee n LYS 68 Cb 0.24 -1.11 0.21 0.00 -0.00 0.00 0.00 35.03 34.37 1vee n LYS 68 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1vee s PHE 69 N -2.16 1.21 0.00 5.58 0.08 -0.00 -5.05 117.98 117.63 1vee s PHE 69 Ca -0.11 0.25 0.00 0.00 0.12 0.00 0.00 56.93 57.19 1vee s PHE 69 Cb 0.03 -4.17 0.00 0.00 -0.57 0.00 0.00 43.02 38.31 1vee s PHE 69 CO 0.18 -2.95 0.00 0.36 -0.10 0.00 0.00 175.22 172.71 1vee n LYS 70 N -3.96 2.37 -3.24 0.44 2.85 -1.26 -4.90 118.16 110.45 1vee n LYS 70 Ca 0.16 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.23 1vee n LYS 70 Cb 0.59 -0.81 -0.07 0.00 -0.65 0.00 0.00 35.03 34.09 1vee n LYS 70 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1vee s ASP 71 N -1.68 0.74 0.32 -5.58 1.01 -1.26 -5.00 116.67 105.23 1vee s ASP 71 Ca 0.00 -2.34 0.04 0.00 0.71 0.00 0.00 52.55 50.96 1vee s ASP 71 Cb 0.00 0.37 0.64 0.00 1.01 0.00 0.00 42.92 44.94 1vee s ASP 71 CO 0.00 -0.17 1.90 1.55 0.21 0.00 0.00 175.17 178.66 1vee h PRO 72 N 5.91 0.87 0.00 8.23 0.13 -1.91 -1.32 132.00 143.91 1vee h PRO 72 Ca 0.16 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1vee h PRO 72 Cb 1.00 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1vee h PRO 72 CO 0.24 0.58 0.22 1.05 -0.23 0.00 0.00 178.00 179.85 1vee h GLU 73 N 0.90 0.00 0.00 0.86 4.11 -1.81 -1.03 114.58 117.61 1vee h GLU 73 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.84 1vee h GLU 73 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1vee h GLU 73 CO -0.17 0.00 -0.49 0.09 0.07 0.00 0.00 179.01 178.51 1vee n ASN 74 N -2.28 2.45 -4.74 3.06 3.02 -0.72 -3.98 115.26 112.06 1vee n ASN 74 Ca -0.01 -0.15 -0.41 0.00 -0.03 0.00 0.00 54.58 53.98 1vee n ASN 74 Cb 0.25 0.80 -0.05 0.00 -0.61 0.00 0.00 39.78 40.17 1vee n ASN 74 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1vee s THR 75 N -1.29 4.06 -0.19 3.41 2.01 -0.55 -4.75 115.64 118.35 1vee s THR 75 Ca 0.00 1.87 -0.04 0.00 0.31 0.00 0.00 61.69 63.83 1vee s THR 75 Cb 0.00 -4.19 -0.02 0.00 0.01 0.00 0.00 72.50 68.30 1vee s THR 75 CO 0.00 0.36 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.37 1vee s THR 76 N -0.56 3.67 -0.48 -0.82 2.01 -0.75 -2.52 115.64 116.19 1vee s THR 76 Ca 0.46 -0.42 -0.11 0.00 0.31 0.00 0.00 61.69 61.93 1vee s THR 76 Cb -0.27 -2.64 0.12 0.00 0.01 0.00 0.00 72.50 69.72 1vee s THR 76 CO 0.33 0.45 0.37 -0.76 -0.69 0.00 0.00 174.62 174.33 1vee s LEU 77 N 0.88 5.76 -0.81 4.42 1.02 -0.90 -1.88 118.68 127.17 1vee s LEU 77 Ca -0.00 -1.84 -0.24 0.00 0.02 0.00 0.00 54.13 52.06 1vee s LEU 77 Cb -0.15 -2.06 0.05 0.00 0.02 0.00 0.00 46.19 44.06 1vee s LEU 77 CO 0.01 -0.72 1.24 -0.31 0.02 0.00 0.00 176.35 176.60 1vee s TYR 78 N 1.42 2.50 -0.05 0.29 1.51 -0.94 -1.83 117.35 120.25 1vee s TYR 78 Ca 0.05 -0.46 -0.30 0.00 -1.01 0.00 0.00 57.07 55.35 1vee s TYR 78 Cb -0.27 -4.55 -0.04 0.00 -0.11 0.00 0.00 41.96 37.00 1vee s TYR 78 CO 0.00 -1.90 1.27 0.42 -1.11 0.00 0.00 175.55 174.23 1vee s ILE 79 N 4.93 4.10 -0.13 2.71 1.01 0.61 -0.60 121.20 133.83 1vee s ILE 79 Ca 0.35 1.43 0.02 0.00 0.00 0.00 0.00 60.65 62.45 1vee s ILE 79 Cb -0.08 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.49 1vee s ILE 79 CO 0.06 -0.02 -0.20 -0.22 0.00 0.00 0.00 174.94 174.56 1vee s LEU 80 N 2.45 1.98 0.30 2.97 2.96 -0.54 -1.88 118.68 126.92 1vee s LEU 80 Ca 0.58 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 1vee s LEU 80 Cb -0.26 -1.32 -0.05 0.00 0.50 0.00 0.00 46.19 45.06 1vee s LEU 80 CO 0.22 0.06 0.12 -0.62 -1.32 0.00 0.00 176.35 174.81 1vee s ASP 81 N 0.84 1.67 0.18 3.68 2.15 -1.26 -3.39 116.67 120.54 1vee s ASP 81 Ca -0.08 -1.48 -0.22 0.00 0.43 0.00 0.00 52.55 51.20 1vee s ASP 81 Cb -0.15 0.24 0.09 0.00 -0.30 0.00 0.00 42.92 42.79 1vee s ASP 81 CO -0.01 -0.79 1.59 0.11 -0.17 0.00 0.00 175.17 175.90 1vee h LYS 82 N 2.22 -0.20 0.00 4.34 1.57 -1.95 -2.33 116.57 120.22 1vee h LYS 82 Ca -0.37 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1vee h LYS 82 Cb 1.25 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1vee h LYS 82 CO 0.59 -0.13 0.00 1.19 -0.57 0.00 0.00 179.45 180.52 1vee n PHE 83 N -5.42 0.00 0.02 -1.35 3.72 -1.26 -2.32 117.46 110.85 1vee n PHE 83 Ca 0.03 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.32 1vee n PHE 83 Cb 0.35 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.85 1vee n PHE 83 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1vee h ASP 84 N 0.00 -0.84 0.00 4.37 1.82 -1.86 -3.34 116.42 116.57 1vee h ASP 84 Ca 0.00 0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 1vee h ASP 84 Cb 0.00 0.35 0.00 0.00 0.68 0.00 0.00 39.33 40.36 1vee h ASP 84 CO 0.00 -0.33 0.00 0.61 -1.61 0.00 0.00 179.24 177.91 1vee n GLY 85 N -1.39 0.35 0.30 -0.78 0.00 -1.26 -1.32 105.19 101.09 1vee n GLY 85 Ca -0.04 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1vee n GLY 85 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vee n ASN 86 N 6.06 0.15 -0.30 1.61 3.02 -1.26 -4.96 115.26 119.59 1vee n ASN 86 Ca 0.00 -1.72 0.12 0.00 -0.03 0.00 0.00 54.58 52.95 1vee n ASN 86 Cb 0.00 -0.14 0.27 0.00 -0.61 0.00 0.00 39.78 39.30 1vee n ASN 86 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1vee h SER 87 N 0.00 -0.11 -0.13 6.41 0.02 -1.53 0.46 113.55 118.67 1vee h SER 87 Ca 0.00 0.21 -0.18 0.00 -0.84 0.00 0.00 61.79 60.97 1vee h SER 87 Cb 1.23 0.30 0.01 0.00 0.14 0.00 0.00 62.40 64.08 1vee h SER 87 CO 0.00 -0.19 -0.64 -0.33 -1.14 0.00 0.00 176.83 174.54 1vee h GLU 88 N 0.16 0.66 -0.36 3.45 5.08 -1.88 -1.54 114.58 120.16 1vee h GLU 88 Ca 0.54 -0.54 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1vee h GLU 88 Cb 1.07 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1vee h GLU 88 CO -0.69 1.15 0.22 1.25 -1.00 0.00 0.00 179.01 179.94 1vee h LEU 89 N 0.33 0.36 -0.99 1.33 7.12 -1.65 -0.29 115.31 121.52 1vee h LEU 89 Ca -0.04 -0.00 -0.09 0.00 0.13 0.00 0.00 57.88 57.88 1vee h LEU 89 Cb 1.27 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 41.31 1vee h LEU 89 CO 0.13 0.26 -0.21 0.58 -0.13 0.00 0.00 178.44 179.07 1vee h VAL 90 N 0.44 1.25 -0.49 1.05 2.07 -0.97 -0.63 116.25 118.98 1vee h VAL 90 Ca 0.14 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 1vee h VAL 90 Cb -0.02 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1vee h VAL 90 CO -0.05 0.38 0.12 0.00 0.02 0.00 0.00 177.57 178.04 1vee h ALA 91 N 1.35 1.30 -0.03 1.67 0.00 -0.26 -1.58 119.26 121.71 1vee h ALA 91 Ca 0.07 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1vee h ALA 91 Cb 0.61 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1vee h ALA 91 CO 0.04 0.49 -0.14 0.93 0.00 0.00 0.00 179.25 180.58 1vee h GLU 92 N 0.71 0.15 -0.03 0.00 5.08 -0.61 -3.03 114.58 116.85 1vee h GLU 92 Ca 0.16 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1vee h GLU 92 Cb 0.26 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 1vee h GLU 92 CO -0.00 0.76 -0.50 1.25 -1.00 0.00 0.00 179.01 179.53 1vee h LEU 93 N -0.43 -1.53 -0.97 1.33 5.85 -0.82 0.13 115.31 118.87 1vee h LEU 93 Ca -0.01 0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1vee h LEU 93 Cb 0.79 0.59 -0.03 0.00 0.37 0.00 0.00 40.66 42.38 1vee h LEU 93 CO 0.03 -0.50 0.27 -0.37 -0.34 0.00 0.00 178.44 177.54 1vee h VAL 94 N -0.62 1.24 -0.06 1.05 -1.51 -1.44 -1.89 116.25 113.02 1vee h VAL 94 Ca 0.03 -0.75 -0.00 0.00 -1.23 0.00 0.00 66.70 64.75 1vee h VAL 94 Cb 0.70 0.41 -0.00 0.00 -2.13 0.00 0.00 31.29 30.27 1vee h VAL 94 CO -0.36 0.30 0.03 0.00 -1.23 0.00 0.00 177.57 176.31 1vee h ALA 95 N 1.30 0.07 0.00 5.19 0.00 -1.29 -0.15 119.26 124.38 1vee h ALA 95 Ca 0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1vee h ALA 95 Cb 0.19 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1vee h ALA 95 CO -0.02 -0.40 -0.05 -0.07 0.00 0.00 0.00 179.25 178.72 1vee h LEU 96 N 0.01 0.00 0.00 0.00 4.07 -0.53 -1.87 115.31 116.99 1vee h LEU 96 Ca 0.02 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 1vee h LEU 96 Cb 0.07 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 1vee h LEU 96 CO -0.00 0.05 -0.60 0.78 -1.08 0.00 0.00 178.44 177.58 1vee h ASN 97 N 0.00 0.00 0.00 -0.43 2.35 -0.77 -3.48 115.58 113.25 1vee h ASN 97 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1vee h ASN 97 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1vee h ASN 97 CO 0.01 0.17 0.00 0.61 -1.65 0.00 0.00 177.43 176.56 1vee n GLY 98 N 1.19 -0.86 3.79 2.83 0.00 -0.70 -5.09 105.19 106.34 1vee n GLY 98 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1vee n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vee s PHE 99 N -0.13 2.90 0.09 1.61 0.08 -0.14 -2.48 117.98 119.91 1vee s PHE 99 Ca 0.00 1.56 -0.34 0.00 0.12 0.00 0.00 56.93 58.27 1vee s PHE 99 Cb 0.00 -3.13 -0.16 0.00 -0.57 0.00 0.00 43.02 39.16 1vee s PHE 99 CO 0.00 -1.07 1.59 -0.22 -0.10 0.00 0.00 175.22 175.41 1vee h LYS 100 N 1.39 -0.88 -3.05 0.44 1.63 -0.93 -3.40 116.57 111.76 1vee h LYS 100 Ca -0.50 0.06 0.03 0.00 -0.85 0.00 0.00 60.65 59.39 1vee h LYS 100 Cb 1.23 0.20 -0.08 0.00 -0.60 0.00 0.00 32.23 32.98 1vee h LYS 100 CO 0.58 -0.59 0.19 -1.12 -3.45 0.00 0.00 179.45 175.07 1vee s SER 101 N -4.44 -0.36 -0.17 4.20 0.01 -1.25 -5.02 113.70 106.66 1vee s SER 101 Ca -0.18 -0.41 -0.10 0.00 1.31 0.00 0.00 55.95 56.58 1vee s SER 101 Cb 0.05 0.67 0.06 0.00 0.21 0.00 0.00 66.02 67.01 1vee s SER 101 CO 0.62 -1.19 0.42 0.00 0.41 0.00 0.00 173.24 173.50 1vee s ALA 102 N -3.86 -1.09 0.08 1.44 0.00 -1.26 -2.11 121.76 114.95 1vee s ALA 102 Ca 0.08 1.56 0.01 0.00 0.00 0.00 0.00 51.96 53.61 1vee s ALA 102 Cb -0.04 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 1vee s ALA 102 CO -0.01 -0.27 0.22 0.71 0.00 0.00 0.00 175.76 176.42 1vee s TYR 103 N 1.37 3.50 -0.28 0.00 1.51 -0.76 -3.44 117.35 119.25 1vee s TYR 103 Ca -0.09 0.21 -0.00 0.00 -1.01 0.00 0.00 57.07 56.17 1vee s TYR 103 Cb -0.08 -1.73 0.05 0.00 -0.11 0.00 0.00 41.96 40.09 1vee s TYR 103 CO -0.13 0.57 -0.04 0.00 -1.11 0.00 0.00 175.55 174.84 1vee s ALA 104 N -1.56 2.72 -0.89 3.71 0.00 -0.57 -0.28 121.76 124.88 1vee s ALA 104 Ca 0.35 -1.70 -0.24 0.00 0.00 0.00 0.00 51.96 50.36 1vee s ALA 104 Cb -0.12 -1.79 -0.02 0.00 0.00 0.00 0.00 23.12 21.19 1vee s ALA 104 CO 0.28 -1.15 1.81 0.42 0.00 0.00 0.00 175.76 177.12 1vee s ILE 105 N 1.23 3.55 -0.29 0.00 1.09 -0.79 -0.93 121.20 125.06 1vee s ILE 105 Ca -0.05 -0.37 -0.29 0.00 -1.10 0.00 0.00 60.65 58.84 1vee s ILE 105 Cb -0.19 -4.26 -0.01 0.00 -1.06 0.00 0.00 42.46 36.94 1vee s ILE 105 CO -0.03 -1.19 1.47 -0.75 -0.10 0.00 0.00 174.94 174.34 1vee s LYS 106 N 6.53 3.79 0.00 2.79 2.36 -1.26 -1.53 119.74 132.42 1vee s LYS 106 Ca 0.63 1.37 0.00 0.00 -2.55 0.00 0.00 55.97 55.42 1vee s LYS 106 Cb -0.06 -3.98 0.00 0.00 -1.05 0.00 0.00 37.83 32.74 1vee s LYS 106 CO -0.00 -1.29 0.00 -0.25 1.55 0.00 0.00 175.35 175.36 1vee n ASP 107 N 8.26 0.00 0.00 1.43 8.00 -1.26 -4.49 116.55 128.49 1vee n ASP 107 Ca 0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1vee n ASP 107 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1vee n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vee n GLY 108 N -0.47 2.89 0.13 0.44 0.00 -0.58 -2.10 105.19 105.50 1vee n GLY 108 Ca 0.00 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 1vee n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vee n ALA 109 N 9.15 1.32 0.10 4.61 0.00 -0.87 -2.08 120.51 132.73 1vee n ALA 109 Ca 0.00 -1.11 0.06 0.00 0.00 0.00 0.00 53.44 52.39 1vee n ALA 109 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.45 1vee n ALA 109 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1vee h GLU 110 N -0.48 0.00 -6.68 0.00 4.39 -1.72 -2.28 114.58 107.82 1vee h GLU 110 Ca -0.64 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 58.63 1vee h GLU 110 Cb 1.77 0.00 0.23 0.00 -0.10 0.00 0.00 28.75 30.64 1vee h GLU 110 CO -0.25 0.17 -0.91 0.41 -1.16 0.00 0.00 179.01 177.27 1vee n GLY 111 N 1.25 -2.52 0.33 -3.84 0.00 -0.89 -4.72 105.19 94.81 1vee n GLY 111 Ca -0.03 -0.86 0.16 0.00 0.00 0.00 0.00 46.02 45.29 1vee n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vee h PRO 112 N -2.25 0.00 0.00 1.61 0.13 -1.93 -0.20 132.00 129.36 1vee h PRO 112 Ca -0.53 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1vee h PRO 112 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1vee h PRO 112 CO 0.38 0.00 0.00 -2.13 -0.23 0.00 0.00 178.00 176.02 1vee n ARG 113 N -4.09 2.78 -0.73 0.86 0.63 -1.26 -4.79 116.66 110.06 1vee n ARG 113 Ca 0.03 -1.44 -0.28 0.00 -0.92 0.00 0.00 57.85 55.24 1vee n ARG 113 Cb 0.34 -0.98 0.23 0.00 0.45 0.00 0.00 32.46 32.49 1vee n ARG 113 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1vee s GLY 114 N -0.94 1.56 0.09 5.14 0.00 -0.09 -3.76 107.32 109.33 1vee s GLY 114 Ca 0.00 -0.16 -0.25 0.00 0.00 0.00 0.00 44.72 44.31 1vee s GLY 114 CO 0.00 0.51 1.41 -0.25 0.00 0.00 0.00 173.10 174.77 1vee h TRP 115 N -2.40 -1.24 0.18 1.90 2.91 -1.00 -2.45 115.95 113.86 1vee h TRP 115 Ca -0.59 0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.48 1vee h TRP 115 Cb 1.33 0.57 -0.01 0.00 -0.51 0.00 0.00 29.16 30.53 1vee h TRP 115 CO 0.28 -0.38 -0.16 -0.07 -1.03 0.00 0.00 178.44 177.08 1vee h LEU 116 N -0.36 -0.41 -0.40 0.65 3.38 -1.72 -2.73 115.31 113.73 1vee h LEU 116 Ca 0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1vee h LEU 116 Cb 0.47 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1vee h LEU 116 CO -0.38 -0.24 0.00 -3.20 0.09 0.00 0.00 178.44 174.71 1vee n ASN 117 N -5.28 0.13 -0.18 -0.43 2.85 -1.11 -2.12 115.26 109.12 1vee n ASN 117 Ca -0.08 -0.64 0.03 0.00 -0.11 0.00 0.00 54.58 53.79 1vee n ASN 117 Cb 0.20 -0.06 0.05 0.00 1.24 0.00 0.00 39.78 41.20 1vee n ASN 117 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1vee n SER 118 N -0.17 1.17 -1.18 1.20 7.64 -0.94 -4.62 113.62 116.72 1vee n SER 118 Ca 0.00 -2.21 -0.15 0.00 1.01 0.00 0.00 58.87 57.51 1vee n SER 118 Cb 0.03 -0.21 -0.07 0.00 -1.01 0.00 0.00 64.21 62.95 1vee n SER 118 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1vee n SER 119 N -0.59 -5.12 -4.82 6.43 7.64 -0.90 -4.98 113.62 111.28 1vee n SER 119 Ca 0.06 0.38 -0.32 0.00 1.01 0.00 0.00 58.87 59.99 1vee n SER 119 Cb 0.57 -3.98 -0.01 0.00 -1.01 0.00 0.00 64.21 59.78 1vee n SER 119 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1vee s LEU 120 N -3.52 3.54 0.79 -3.43 1.43 -1.20 -5.05 118.68 111.25 1vee s LEU 120 Ca 0.00 1.71 -0.11 0.00 -1.03 0.00 0.00 54.13 54.70 1vee s LEU 120 Cb 0.00 -4.52 0.07 0.00 0.03 0.00 0.00 46.19 41.76 1vee s LEU 120 CO 0.00 -0.93 1.09 -2.16 0.23 0.00 0.00 176.35 174.58 1vee s PRO 121 N -4.10 2.14 -0.29 1.29 0.04 -1.26 -4.74 135.00 128.07 1vee s PRO 121 Ca 0.61 0.88 -0.15 0.00 0.04 0.00 0.00 61.00 62.38 1vee s PRO 121 Cb -0.13 -1.91 0.14 0.00 0.04 0.00 0.00 34.50 32.64 1vee s PRO 121 CO 0.35 -1.64 0.91 -0.46 0.04 0.00 0.00 177.00 176.20 1vee s TRP 122 N -3.02 -0.74 -0.85 0.56 -0.11 -1.26 -4.43 118.94 109.09 1vee s TRP 122 Ca 0.61 1.39 -0.25 0.00 1.22 0.00 0.00 56.10 59.07 1vee s TRP 122 Cb -0.16 0.44 -0.01 0.00 -1.50 0.00 0.00 33.47 32.25 1vee s TRP 122 CO 0.55 -0.37 1.73 0.42 -4.62 0.00 0.00 176.95 174.67 1vee s ILE 123 N 1.81 3.58 0.32 5.86 1.01 -0.56 -4.96 121.20 128.26 1vee s ILE 123 Ca -0.07 -0.26 -0.12 0.00 0.00 0.00 0.00 60.65 60.20 1vee s ILE 123 Cb -0.05 -4.36 -0.08 0.00 0.01 0.00 0.00 42.46 37.98 1vee s ILE 123 CO -0.17 -1.29 0.69 -1.61 0.00 0.00 0.00 174.94 172.56 1vee s GLU 124 N 6.37 3.87 0.00 2.79 2.02 -1.26 -1.21 118.70 131.27 1vee s GLU 124 Ca 0.59 0.47 0.00 0.00 0.02 0.00 0.00 54.97 56.06 1vee s GLU 124 Cb -0.06 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.68 1vee s GLU 124 CO 0.03 0.14 0.00 -0.35 0.02 0.00 0.00 175.26 175.10 1vee n PRO 125 N -0.62 0.40 -1.62 0.39 -0.04 -1.26 -4.94 135.00 127.30 1vee n PRO 125 Ca 0.02 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.02 1vee n PRO 125 Cb 0.53 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 1vee n PRO 125 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1vee n LYS 126 N -0.59 1.60 -1.45 0.54 4.01 -1.26 -4.70 118.16 116.32 1vee n LYS 126 Ca 0.00 0.57 -0.46 0.00 -0.51 0.00 0.00 58.31 57.91 1vee n LYS 126 Cb 0.00 -2.13 -0.12 0.00 -0.51 0.00 0.00 35.03 32.27 1vee n LYS 126 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1vee n LYS 127 N 1.76 0.26 -3.33 1.97 5.02 -1.26 -4.90 118.16 117.68 1vee n LYS 127 Ca 0.13 0.03 -0.38 0.00 -2.02 0.00 0.00 58.31 56.07 1vee n LYS 127 Cb 0.29 -1.87 -0.06 0.00 -0.02 0.00 0.00 35.03 33.37 1vee n LYS 127 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1vee s THR 128 N 8.58 5.20 0.28 -0.18 2.01 -1.26 -5.04 115.64 125.23 1vee s THR 128 Ca 1.25 0.92 -0.19 0.00 0.31 0.00 0.00 61.69 63.98 1vee s THR 128 Cb -1.12 -3.80 0.06 0.00 0.01 0.00 0.00 72.50 67.65 1vee s THR 128 CO 0.50 0.33 0.91 -0.94 -0.69 0.00 0.00 174.62 174.73 1vee s SER 129 N 0.62 -0.01 0.00 3.53 1.04 -1.26 -5.12 113.70 112.51 1vee s SER 129 Ca 0.25 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1vee s SER 129 Cb -0.15 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1vee s SER 129 CO 0.10 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 173.61 1vee n GLY 130 N -0.61 -1.23 0.29 7.32 0.00 -1.26 -4.97 105.19 104.73 1vee n GLY 130 Ca -0.06 0.49 0.18 0.00 0.00 0.00 0.00 46.02 46.64 1vee n GLY 130 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vee h PRO 131 N 0.00 0.00 -4.94 1.61 0.13 -2.07 -3.45 132.00 123.28 1vee h PRO 131 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.82 1vee h PRO 131 Cb 0.00 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 30.97 1vee h PRO 131 CO 0.00 0.00 -0.72 -1.54 -0.23 0.00 0.00 178.00 175.51 1vee s SER 132 N -5.55 1.50 0.00 1.44 1.04 -1.26 -5.15 113.70 105.72 1vee s SER 132 Ca -0.00 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.52 1vee s SER 132 Cb 0.10 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1vee s SER 132 CO 0.51 -0.32 0.00 -0.24 0.98 0.00 0.00 173.24 174.17 1vee n SER 133 N 0.23 0.00 0.00 7.02 2.88 -1.26 -4.89 113.62 117.60 1vee n SER 133 Ca -0.14 -0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 1vee n SER 133 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1vee n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42