#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vee n SER 2 N 0.00 2.67 0.00 1.61 7.64 -1.26 -4.63 113.62 119.65 1vee n SER 2 Ca 0.00 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 58.02 1vee n SER 2 Cb 0.00 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1vee n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1vee n SER 3 N 1.01 0.00 -0.24 6.43 2.88 -1.26 -5.17 113.62 117.27 1vee n SER 3 Ca 0.14 -1.00 0.03 0.00 -1.33 0.00 0.00 58.87 56.71 1vee n SER 3 Cb 0.55 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.00 1vee n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vee n GLY 4 N 0.00 -1.67 3.08 0.46 0.00 -1.26 -4.98 105.19 100.82 1vee n GLY 4 Ca 0.00 -1.46 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 1vee n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vee s SER 5 N -3.95 -0.05 0.17 1.61 0.01 -1.26 -4.76 113.70 105.47 1vee s SER 5 Ca 0.00 0.65 0.01 0.00 1.31 0.00 0.00 55.95 57.92 1vee s SER 5 Cb 0.00 0.66 -0.00 0.00 0.21 0.00 0.00 66.02 66.89 1vee s SER 5 CO 0.00 -0.21 0.04 -1.54 0.41 0.00 0.00 173.24 171.95 1vee n SER 6 N 4.79 1.40 0.00 2.44 3.41 -1.26 -0.91 113.62 123.50 1vee n SER 6 Ca -0.16 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 1vee n SER 6 Cb 0.52 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 1vee n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vee n GLY 7 N 1.49 -0.69 3.31 5.00 0.00 -1.19 -4.83 105.19 108.28 1vee n GLY 7 Ca -0.04 0.54 -0.14 0.00 0.00 0.00 0.00 46.02 46.38 1vee n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vee s SER 8 N -4.00 -0.31 0.15 1.61 0.01 -1.26 -4.23 113.70 105.67 1vee s SER 8 Ca 0.00 0.23 -0.18 0.00 1.31 0.00 0.00 55.95 57.31 1vee s SER 8 Cb 0.00 0.37 0.05 0.00 0.21 0.00 0.00 66.02 66.66 1vee s SER 8 CO 0.00 -0.50 1.68 0.00 0.41 0.00 0.00 173.24 174.83 1vee h ALA 9 N 3.59 0.23 -0.78 1.44 0.00 -1.77 -1.57 119.26 120.39 1vee h ALA 9 Ca -0.29 0.12 0.14 0.00 0.00 0.00 0.00 54.91 54.88 1vee h ALA 9 Cb 1.17 0.24 -0.09 0.00 0.00 0.00 0.00 17.79 19.10 1vee h ALA 9 CO 0.40 -0.46 0.35 0.87 0.00 0.00 0.00 179.25 180.42 1vee h LYS 10 N 0.01 0.50 0.28 0.00 1.57 -1.88 0.16 116.57 117.20 1vee h LYS 10 Ca 0.16 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1vee h LYS 10 Cb 0.24 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1vee h LYS 10 CO -0.33 0.33 -0.13 -0.97 -0.57 0.00 0.00 179.45 177.78 1vee h ASN 11 N 0.51 -0.31 -0.81 0.86 -0.00 -1.74 -0.48 115.58 113.61 1vee h ASN 11 Ca 0.43 -0.10 0.07 0.00 -0.00 0.00 0.00 56.30 56.70 1vee h ASN 11 Cb 0.63 0.08 -0.05 0.00 -0.00 0.00 0.00 38.32 38.97 1vee h ASN 11 CO -0.38 -0.08 0.53 0.00 -0.00 0.00 0.00 177.43 177.50 1vee h ALA 12 N 0.13 1.64 0.09 1.57 0.00 -0.44 -0.48 119.26 121.78 1vee h ALA 12 Ca -0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1vee h ALA 12 Cb 0.40 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1vee h ALA 12 CO 0.06 0.22 -0.04 -0.92 0.00 0.00 0.00 179.25 178.57 1vee h TYR 13 N 0.85 -0.11 -0.94 0.00 3.20 -0.60 -2.67 116.97 116.69 1vee h TYR 13 Ca 0.36 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.30 1vee h TYR 13 Cb 0.29 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.53 1vee h TYR 13 CO -0.00 0.29 0.59 1.15 -1.64 0.00 0.00 178.16 178.54 1vee h THR 14 N -0.55 1.03 -0.57 1.81 2.02 -0.64 -1.94 112.91 114.06 1vee h THR 14 Ca -0.01 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1vee h THR 14 Cb 0.45 -0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 1vee h THR 14 CO 0.02 0.19 0.36 0.11 0.37 0.00 0.00 175.52 176.57 1vee h LYS 15 N 1.04 0.76 -0.13 6.66 1.79 -1.04 -0.54 116.57 125.12 1vee h LYS 15 Ca 0.42 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.87 1vee h LYS 15 Cb 0.24 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1vee h LYS 15 CO -0.20 0.53 0.11 -0.07 -1.08 0.00 0.00 179.45 178.74 1vee h LEU 16 N 0.77 0.00 -0.57 2.94 3.38 -1.00 0.99 115.31 121.82 1vee h LEU 16 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1vee h LEU 16 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1vee h LEU 16 CO -0.04 0.00 -0.08 0.61 0.09 0.00 0.00 178.44 179.02 1vee n GLY 17 N -1.46 -0.47 0.00 0.83 0.00 -0.26 -3.78 105.19 100.04 1vee n GLY 17 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.41 0.00 -3.56 2.61 5.66 -0.21 -4.96 114.28 113.40 1vee n THR 18 Ca 0.17 -0.33 -0.29 0.00 -3.05 0.00 0.00 64.05 60.55 1vee n THR 18 Cb 0.30 1.34 -0.15 0.00 -1.55 0.00 0.00 70.33 70.28 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 -0.01 3.54 0.31 1.09 -1.08 0.17 -5.01 116.67 115.69 1vee s ASP 19 Ca 0.00 -1.49 0.00 0.00 -0.52 0.00 0.00 52.55 50.55 1vee s ASP 19 Cb 0.00 -0.45 0.50 0.00 -1.46 0.00 0.00 42.92 41.51 1vee s ASP 19 CO 0.00 -0.42 1.89 -0.78 0.52 0.00 0.00 175.17 176.39 1vee h ASP 20 N 8.15 0.73 0.22 -0.34 3.58 -1.87 -1.80 116.42 125.09 1vee h ASP 20 Ca -0.15 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.21 1vee h ASP 20 Cb 1.00 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.87 1vee h ASP 20 CO 0.42 0.66 0.00 0.59 -2.88 0.00 0.00 179.24 178.03 1vee n ASN 21 N -4.33 0.00 -4.88 2.28 4.13 -1.26 -4.73 115.26 106.47 1vee n ASN 21 Ca 0.05 0.32 -0.32 0.00 1.68 0.00 0.00 54.58 56.31 1vee n ASN 21 Cb 0.16 -0.39 -0.05 0.00 -1.54 0.00 0.00 39.78 37.96 1vee n ASN 21 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vee s ALA 22 N -2.78 3.59 0.08 5.41 0.00 -0.68 -1.42 121.76 125.96 1vee s ALA 22 Ca 0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 51.96 51.71 1vee s ALA 22 Cb 0.06 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 1vee s ALA 22 CO 0.14 0.51 -0.01 -0.65 0.00 0.00 0.00 175.76 175.75 1vee s GLN 23 N -2.83 0.74 -0.18 0.00 -1.52 0.24 -4.90 119.66 111.21 1vee s GLN 23 Ca 0.47 -1.30 -0.06 0.00 -1.95 0.00 0.00 55.36 52.51 1vee s GLN 23 Cb -0.11 0.14 -0.03 0.00 -0.22 0.00 0.00 33.01 32.78 1vee s GLN 23 CO 0.22 -0.13 0.03 -1.17 -0.25 0.00 0.00 175.29 173.98 1vee s LEU 24 N -2.98 3.56 -0.34 2.90 1.98 -1.26 -1.01 118.68 121.54 1vee s LEU 24 Ca 0.12 -0.03 0.02 0.00 -2.89 0.00 0.00 54.13 51.36 1vee s LEU 24 Cb 0.07 -1.89 0.09 0.00 0.66 0.00 0.00 46.19 45.13 1vee s LEU 24 CO -0.06 0.15 0.05 -0.22 -1.89 0.00 0.00 176.35 174.38 1vee s LEU 25 N 0.50 4.59 -0.28 -0.68 2.96 0.37 -1.14 118.68 124.99 1vee s LEU 25 Ca 0.01 -1.95 -0.29 0.00 -0.22 0.00 0.00 54.13 51.67 1vee s LEU 25 Cb -0.13 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 44.90 1vee s LEU 25 CO 0.02 -0.37 1.15 -1.81 -1.32 0.00 0.00 176.35 174.02 1vee s ASP 26 N 1.13 6.89 0.00 3.68 1.01 -0.18 -1.03 116.67 128.16 1vee s ASP 26 Ca 0.06 1.21 0.17 0.00 0.71 0.00 0.00 52.55 54.71 1vee s ASP 26 Cb -0.20 -2.54 0.28 0.00 1.01 0.00 0.00 42.92 41.47 1vee s ASP 26 CO -0.06 -0.89 1.20 2.30 0.21 0.00 0.00 175.17 177.93 1vee n ILE 27 N 5.83 0.41 -0.59 0.77 -5.35 -0.83 -1.32 119.36 118.28 1vee n ILE 27 Ca 0.13 -0.70 -0.29 0.00 -0.27 0.00 0.00 62.75 61.62 1vee n ILE 27 Cb 0.47 1.01 0.26 0.00 -1.74 0.00 0.00 39.64 39.64 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 -1.28 -1.48 0.20 6.28 0.52 -1.26 -2.59 118.95 119.33 1vee s ARG 28 Ca 0.27 0.51 -0.28 0.00 -0.52 0.00 0.00 55.73 55.71 1vee s ARG 28 Cb 0.17 -1.51 -0.08 0.00 0.52 0.00 0.00 34.95 34.04 1vee s ARG 28 CO 0.23 -4.01 0.87 0.00 0.02 0.00 0.00 175.30 172.41 1vee s ALA 29 N -2.49 3.38 0.42 2.13 0.00 -1.26 -4.25 121.76 119.69 1vee s ALA 29 Ca 0.68 0.51 0.25 0.00 0.00 0.00 0.00 51.96 53.41 1vee s ALA 29 Cb -0.20 -3.11 1.30 0.00 0.00 0.00 0.00 23.12 21.11 1vee s ALA 29 CO 0.62 0.22 1.69 1.15 0.00 0.00 0.00 175.76 179.43 1vee h THR 30 N 3.31 0.29 -0.61 0.00 2.02 -1.99 -0.10 112.91 115.83 1vee h THR 30 Ca -0.46 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 66.60 1vee h THR 30 Cb 1.20 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 1vee h THR 30 CO 0.68 0.04 0.16 0.00 0.37 0.00 0.00 175.52 176.76 1vee h ALA 31 N 1.60 0.80 -0.76 6.16 0.00 -2.01 -2.89 119.26 122.17 1vee h ALA 31 Ca 0.72 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 55.53 1vee h ALA 31 Cb 2.13 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.63 1vee h ALA 31 CO -0.36 0.51 0.50 -0.44 0.00 0.00 0.00 179.25 179.46 1vee h ASP 32 N 0.89 0.51 0.02 0.00 3.32 -1.39 0.09 116.42 119.86 1vee h ASP 32 Ca 0.19 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 1vee h ASP 32 Cb 0.34 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1vee h ASP 32 CO 0.00 0.29 -0.00 -0.26 -1.72 0.00 0.00 179.24 177.54 1vee h PHE 33 N 0.56 0.00 0.00 4.55 -1.00 -1.57 0.46 116.94 119.93 1vee h PHE 33 Ca 0.36 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.14 1vee h PHE 33 Cb 0.64 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.20 1vee h PHE 33 CO -0.00 0.00 -1.35 0.54 -1.61 0.00 0.00 178.31 175.90 1vee n ARG 34 N -3.61 0.98 -0.08 1.51 1.74 -0.05 -3.37 116.66 113.78 1vee n ARG 34 Ca -0.03 -0.09 -0.08 0.00 -0.77 0.00 0.00 57.85 56.89 1vee n ARG 34 Cb 0.08 -1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 30.15 1vee n ARG 34 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1vee h GLN 35 N 0.00 0.00 0.00 5.56 1.08 -0.50 -3.43 115.11 117.83 1vee h GLN 35 Ca 0.00 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.97 1vee h GLN 35 Cb 0.61 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.99 1vee h GLN 35 CO 0.00 0.18 -2.08 1.55 -0.95 0.00 0.00 178.83 177.53 1vee n VAL 36 N -4.59 0.99 0.00 -0.54 3.14 0.05 -4.74 118.33 112.64 1vee n VAL 36 Ca -0.11 -0.73 0.00 0.00 -2.96 0.00 0.00 64.34 60.54 1vee n VAL 36 Cb 0.33 -0.41 0.00 0.00 -1.06 0.00 0.00 33.84 32.71 1vee n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1vee n GLY 37 N 1.55 -0.34 3.02 7.55 0.00 -1.02 -4.31 105.19 111.64 1vee n GLY 37 Ca -0.20 -2.20 -0.09 0.00 0.00 0.00 0.00 46.02 43.53 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 0.40 0.27 1.61 1.04 -0.46 -4.07 113.70 108.48 1vee s SER 38 Ca 0.00 -0.63 -0.30 0.00 0.48 0.00 0.00 55.95 55.50 1vee s SER 38 Cb 0.00 0.11 -0.09 0.00 0.10 0.00 0.00 66.02 66.14 1vee s SER 38 CO 0.00 -0.36 1.09 -2.16 0.98 0.00 0.00 173.24 172.80 1vee s PRO 39 N -2.09 4.64 -0.86 4.02 0.04 -1.26 -1.07 135.00 138.43 1vee s PRO 39 Ca -0.09 1.79 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 1vee s PRO 39 Cb -0.06 -3.20 0.21 0.00 0.04 0.00 0.00 34.50 31.50 1vee s PRO 39 CO -0.03 0.21 0.74 0.54 0.04 0.00 0.00 177.00 178.50 1vee s ASN 40 N -0.82 5.94 0.00 6.66 6.03 -1.26 -4.67 114.94 126.82 1vee s ASN 40 Ca 0.45 -3.56 0.16 0.00 -1.03 0.00 0.00 52.86 48.88 1vee s ASN 40 Cb -0.32 -1.92 0.95 0.00 -3.03 0.00 0.00 41.25 36.93 1vee s ASN 40 CO 0.40 -0.23 1.38 2.30 -2.03 0.00 0.00 177.10 178.92 1vee n ILE 41 N 2.57 0.00 0.30 0.54 -5.35 -1.26 -3.37 119.36 112.78 1vee n ILE 41 Ca 0.19 0.00 0.19 0.00 -0.27 0.00 0.00 62.75 62.86 1vee n ILE 41 Cb 0.37 -0.61 1.01 0.00 -1.74 0.00 0.00 39.64 38.67 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 0.00 -0.95 6.28 2.10 -1.79 -1.59 116.57 120.62 1vee h LYS 42 Ca 0.00 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.76 1vee h LYS 42 Cb 0.00 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.25 1vee h LYS 42 CO 0.00 0.00 0.58 0.78 -2.00 0.00 0.00 179.45 178.81 1vee h GLY 43 N 0.00 1.54 0.20 0.07 0.00 -1.86 -1.78 103.07 101.24 1vee h GLY 43 Ca 0.02 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1vee h GLY 43 CO -0.00 0.15 -0.02 1.41 0.00 0.00 0.00 176.54 178.08 1vee h LEU 44 N 0.94 -0.05 0.00 3.11 3.38 -1.61 -3.49 115.31 117.59 1vee h LEU 44 Ca 0.47 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1vee h LEU 44 Cb 0.45 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1vee h LEU 44 CO -0.26 0.67 0.00 0.61 0.09 0.00 0.00 178.44 179.55 1vee n GLY 45 N 1.06 0.25 0.00 0.83 0.00 -0.67 -5.07 105.19 101.60 1vee n GLY 45 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1vee n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vee n LYS 46 N 0.00 0.60 -3.81 1.61 4.76 -1.21 -4.80 118.16 115.31 1vee n LYS 46 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 1vee n LYS 46 Cb 0.00 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.06 1vee n LYS 46 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1vee s LYS 47 N -2.36 0.18 0.89 1.97 2.20 -1.26 -2.42 119.74 118.93 1vee s LYS 47 Ca 0.00 0.24 -0.12 0.00 -0.36 0.00 0.00 55.97 55.72 1vee s LYS 47 Cb 0.00 0.07 0.13 0.00 -1.51 0.00 0.00 37.83 36.52 1vee s LYS 47 CO 0.00 -0.03 1.16 0.00 -0.36 0.00 0.00 175.35 176.11 1vee s ALA 48 N 0.18 2.02 -0.02 3.13 0.00 -1.26 -4.60 121.76 121.21 1vee s ALA 48 Ca -0.01 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.39 1vee s ALA 48 Cb -0.02 -3.00 -0.00 0.00 0.00 0.00 0.00 23.12 20.10 1vee s ALA 48 CO -0.00 -2.14 -0.11 0.08 0.00 0.00 0.00 175.76 173.58 1vee s VAL 49 N -3.38 0.89 -0.08 0.00 1.01 -0.30 -4.98 120.40 113.56 1vee s VAL 49 Ca 0.64 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 62.21 1vee s VAL 49 Cb -0.13 -0.76 -0.00 0.00 0.00 0.00 0.00 36.38 35.49 1vee s VAL 49 CO 0.52 0.26 -0.24 -0.94 0.00 0.00 0.00 175.10 174.70 1vee s SER 50 N -0.10 3.04 -0.29 3.32 1.04 -1.26 -1.01 113.70 118.43 1vee s SER 50 Ca 0.02 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 55.93 1vee s SER 50 Cb -0.06 -1.18 0.16 0.00 0.10 0.00 0.00 66.02 65.04 1vee s SER 50 CO -0.00 0.19 0.42 -0.89 0.98 0.00 0.00 173.24 173.93 1vee s THR 51 N 0.16 -0.65 -0.20 2.02 2.01 -0.43 -4.96 115.64 113.59 1vee s THR 51 Ca -0.13 -0.29 -0.31 0.00 0.31 0.00 0.00 61.69 61.28 1vee s THR 51 Cb -0.16 -0.99 -0.08 0.00 0.01 0.00 0.00 72.50 71.28 1vee s THR 51 CO 0.07 -0.27 2.15 0.52 -0.69 0.00 0.00 174.62 176.39 1vee n VAL 52 N 5.36 0.39 -3.01 3.82 0.31 -1.26 -4.29 118.33 119.65 1vee n VAL 52 Ca 0.01 -0.34 -0.33 0.00 -0.01 0.00 0.00 64.34 63.66 1vee n VAL 52 Cb 0.49 -2.26 -0.06 0.00 -0.91 0.00 0.00 33.84 31.10 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 7.16 3.41 -0.23 3.52 5.04 -1.07 -4.94 117.35 130.24 1vee s TYR 53 Ca 1.00 1.40 -0.14 0.00 -2.44 0.00 0.00 57.07 56.89 1vee s TYR 53 Cb -0.50 -2.67 0.07 0.00 0.35 0.00 0.00 41.96 39.21 1vee s TYR 53 CO 0.41 0.07 0.58 0.54 -1.34 0.00 0.00 175.55 175.80 1vee s ASN 54 N -2.13 -0.75 0.62 4.32 4.22 -1.26 -4.96 114.94 115.00 1vee s ASN 54 Ca 0.55 1.26 0.34 0.00 -2.14 0.00 0.00 52.86 52.86 1vee s ASN 54 Cb -0.11 1.15 1.93 0.00 1.28 0.00 0.00 41.25 45.49 1vee s ASN 54 CO 0.17 -0.22 2.20 1.23 -2.04 0.00 0.00 177.10 178.44 1vee h GLY 55 N 6.82 0.00 2.00 0.45 0.00 -1.99 -1.55 103.07 108.79 1vee h GLY 55 Ca -0.32 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1vee h GLY 55 CO 0.20 0.00 -0.12 0.83 0.00 0.00 0.00 176.54 177.45 1vee h GLU 56 N 0.00 0.00 -0.79 4.80 4.39 -2.03 -3.32 114.58 117.63 1vee h GLU 56 Ca 0.03 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.37 1vee h GLU 56 Cb 0.24 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.48 1vee h GLU 56 CO -0.00 0.12 -1.08 -3.47 -1.16 0.00 0.00 179.01 173.42 1vee n ASP 57 N -3.32 2.22 -0.21 1.42 -0.08 -0.59 -4.96 116.55 111.04 1vee n ASP 57 Ca -0.00 -2.65 -0.08 0.00 -1.51 0.00 0.00 54.79 50.55 1vee n ASP 57 Cb 0.34 -0.48 -0.03 0.00 2.34 0.00 0.00 41.12 43.29 1vee n ASP 57 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1vee h LYS 58 N 2.71 -0.20 -0.69 -0.67 1.57 -1.66 0.52 116.57 118.14 1vee h LYS 58 Ca -0.02 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1vee h LYS 58 Cb 1.23 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.56 1vee h LYS 58 CO 0.43 -0.14 0.20 -1.00 -0.57 0.00 0.00 179.45 178.38 1vee h PRO 59 N -0.21 1.07 -0.00 3.15 0.13 -1.93 -1.14 132.00 133.07 1vee h PRO 59 Ca 0.19 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1vee h PRO 59 Cb 0.56 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.54 1vee h PRO 59 CO -0.69 0.94 0.00 0.78 -0.23 0.00 0.00 178.00 178.79 1vee h GLY 60 N 1.01 0.00 0.00 1.56 0.00 -1.59 -0.49 103.07 103.56 1vee h GLY 60 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.45 1vee h GLY 60 CO -0.00 0.00 -0.70 -2.75 0.00 0.00 0.00 176.54 173.09 1vee h PHE 61 N 0.00 0.00 -0.61 5.60 3.04 -0.55 -3.37 116.94 121.04 1vee h PHE 61 Ca 0.00 0.00 0.13 0.00 3.98 0.00 0.00 57.97 62.08 1vee h PHE 61 Cb 0.00 0.00 -0.11 0.00 2.56 0.00 0.00 35.95 38.40 1vee h PHE 61 CO 0.00 0.85 -0.06 -0.07 -2.02 0.00 0.00 178.31 177.02 1vee h LEU 62 N -1.00 -0.38 -1.38 0.59 3.38 -0.82 -1.02 115.31 114.68 1vee h LEU 62 Ca -0.16 0.16 0.14 0.00 0.09 0.00 0.00 57.88 58.11 1vee h LEU 62 Cb 0.90 0.31 -0.06 0.00 0.09 0.00 0.00 40.66 41.90 1vee h LEU 62 CO -0.10 -0.15 0.54 0.07 0.09 0.00 0.00 178.44 178.90 1vee h LYS 63 N 0.07 0.60 0.00 1.13 2.10 -1.30 -0.62 116.57 118.56 1vee h LYS 63 Ca 0.31 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.92 1vee h LYS 63 Cb 0.49 -0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 31.69 1vee h LYS 63 CO -0.56 0.40 -0.03 0.87 -2.00 0.00 0.00 179.45 178.12 1vee h LYS 64 N 0.62 0.00 0.05 0.07 1.57 -1.34 -1.18 116.57 116.35 1vee h LYS 64 Ca 0.41 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.86 1vee h LYS 64 Cb 0.70 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.98 1vee h LYS 64 CO -0.17 0.03 -1.88 1.28 -0.57 0.00 0.00 179.45 178.15 1vee n LEU 65 N -3.41 2.31 -0.24 2.94 7.99 -0.30 -4.28 117.00 122.01 1vee n LEU 65 Ca -0.02 0.26 0.19 0.00 -0.01 0.00 0.00 56.01 56.42 1vee n LEU 65 Cb 0.15 -1.00 0.51 0.00 -0.11 0.00 0.00 43.42 42.97 1vee n LEU 65 CO 0.25 0.62 1.22 -1.28 -1.51 0.00 0.00 177.39 176.70 1vee h SER 66 N -0.47 0.42 0.53 -1.43 0.87 -0.95 0.31 113.55 112.82 1vee h SER 66 Ca -0.46 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1vee h SER 66 Cb 1.70 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.62 1vee h SER 66 CO -0.11 0.17 -0.02 0.00 -0.53 0.00 0.00 176.83 176.34 1vee n LEU 67 N -4.51 0.06 -0.01 2.23 -0.00 -0.49 -4.04 117.00 110.24 1vee n LEU 67 Ca 0.19 0.24 -0.01 0.00 -0.00 0.00 0.00 56.01 56.44 1vee n LEU 67 Cb 0.68 -0.27 -0.01 0.00 -0.00 0.00 0.00 43.42 43.83 1vee n LEU 67 CO 0.31 0.01 -0.53 2.29 -0.00 0.00 0.00 177.39 179.47 1vee n LYS 68 N -1.24 2.76 -3.18 1.47 -0.00 -0.04 -4.98 118.16 112.94 1vee n LYS 68 Ca 0.14 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 58.06 1vee n LYS 68 Cb 0.24 -1.02 -0.07 0.00 -0.00 0.00 0.00 35.03 34.18 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 -2.02 3.30 -0.00 5.58 0.08 -0.39 -4.98 117.98 119.54 1vee s PHE 69 Ca -0.01 0.75 -0.25 0.00 0.12 0.00 0.00 56.93 57.54 1vee s PHE 69 Cb 0.00 -2.76 -0.18 0.00 -0.57 0.00 0.00 43.02 39.51 1vee s PHE 69 CO 0.04 -0.25 1.28 1.57 -0.10 0.00 0.00 175.22 177.75 1vee h LYS 70 N 7.83 -0.15 -3.29 0.44 -0.00 -1.90 -3.39 116.57 116.11 1vee h LYS 70 Ca -0.29 0.01 -0.68 0.00 -0.00 0.00 0.00 60.65 59.69 1vee h LYS 70 Cb 1.14 0.03 -0.37 0.00 -0.00 0.00 0.00 32.23 33.03 1vee h LYS 70 CO 0.74 0.22 -0.27 -0.51 -0.00 0.00 0.00 179.45 179.63 1vee s ASP 71 N -5.41 5.53 0.38 7.07 1.01 -1.26 -4.94 116.67 119.05 1vee s ASP 71 Ca -0.15 -3.63 0.12 0.00 0.71 0.00 0.00 52.55 49.60 1vee s ASP 71 Cb 0.02 -1.82 0.92 0.00 1.01 0.00 0.00 42.92 43.05 1vee s ASP 71 CO 0.61 -0.18 1.87 1.55 0.21 0.00 0.00 175.17 179.23 1vee h PRO 72 N 5.99 0.56 0.00 8.23 0.13 -1.86 0.91 132.00 145.95 1vee h PRO 72 Ca 0.13 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1vee h PRO 72 Cb 0.82 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1vee h PRO 72 CO 0.79 0.37 0.00 -1.91 -0.23 0.00 0.00 178.00 177.02 1vee n GLU 73 N -4.54 0.05 -0.82 0.86 4.07 -1.12 -0.83 120.64 118.31 1vee n GLU 73 Ca 0.17 0.46 0.05 0.00 -0.06 0.00 0.00 57.16 57.78 1vee n GLU 73 Cb 0.54 -1.64 0.10 0.00 -0.06 0.00 0.00 31.44 30.37 1vee n GLU 73 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1vee n ASN 74 N -1.75 1.29 -3.69 4.31 3.02 0.27 -4.07 115.26 114.65 1vee n ASN 74 Ca 0.01 -2.82 -0.25 0.00 -0.03 0.00 0.00 54.58 51.49 1vee n ASN 74 Cb 0.08 -0.38 -0.17 0.00 -0.61 0.00 0.00 39.78 38.69 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 -1.54 0.20 0.20 3.41 2.01 -0.60 -4.79 115.64 114.53 1vee s THR 75 Ca 0.30 -0.18 -0.25 0.00 0.31 0.00 0.00 61.69 61.87 1vee s THR 75 Cb 0.30 -0.67 -0.08 0.00 0.01 0.00 0.00 72.50 72.06 1vee s THR 75 CO -0.08 -0.11 0.81 -0.89 -0.69 0.00 0.00 174.62 173.66 1vee s THR 76 N 2.02 4.34 -0.47 -0.82 2.01 -0.51 -3.80 115.64 118.41 1vee s THR 76 Ca 0.02 1.70 -0.00 0.00 0.31 0.00 0.00 61.69 63.71 1vee s THR 76 Cb -0.15 -4.10 0.12 0.00 0.01 0.00 0.00 72.50 68.38 1vee s THR 76 CO -0.07 0.42 0.25 -0.76 -0.69 0.00 0.00 174.62 173.76 1vee s LEU 77 N -1.41 5.01 -0.66 4.42 1.43 -0.49 -0.59 118.68 126.40 1vee s LEU 77 Ca 0.39 -2.42 -0.27 0.00 -1.03 0.00 0.00 54.13 50.80 1vee s LEU 77 Cb -0.22 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.26 1vee s LEU 77 CO 0.26 -0.42 1.32 -0.31 0.23 0.00 0.00 176.35 177.43 1vee s TYR 78 N 0.56 2.32 0.17 0.29 1.51 -0.18 -2.85 117.35 119.17 1vee s TYR 78 Ca 0.12 0.22 -0.30 0.00 -1.01 0.00 0.00 57.07 56.11 1vee s TYR 78 Cb -0.22 -4.52 -0.07 0.00 -0.11 0.00 0.00 41.96 37.04 1vee s TYR 78 CO -0.04 -1.95 0.98 0.42 -1.11 0.00 0.00 175.55 173.85 1vee s ILE 79 N 5.83 4.22 -0.09 2.71 1.01 0.04 -0.48 121.20 134.44 1vee s ILE 79 Ca 0.42 1.98 0.01 0.00 0.00 0.00 0.00 60.65 63.07 1vee s ILE 79 Cb -0.09 -4.26 0.02 0.00 0.01 0.00 0.00 42.46 38.14 1vee s ILE 79 CO 0.20 0.37 -0.11 -0.22 0.00 0.00 0.00 174.94 175.18 1vee s LEU 80 N -0.49 1.50 0.28 2.97 2.96 -0.20 -2.78 118.68 122.93 1vee s LEU 80 Ca 0.45 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 54.09 1vee s LEU 80 Cb -0.25 -0.86 -0.06 0.00 0.50 0.00 0.00 46.19 45.51 1vee s LEU 80 CO 0.32 -0.02 -0.00 1.51 -1.32 0.00 0.00 176.35 176.84 1vee s ASP 81 N 1.06 2.40 0.19 3.68 1.47 -1.26 -1.96 116.67 122.24 1vee s ASP 81 Ca -0.07 -1.27 -0.10 0.00 1.18 0.00 0.00 52.55 52.29 1vee s ASP 81 Cb -0.15 -0.10 0.10 0.00 -0.34 0.00 0.00 42.92 42.44 1vee s ASP 81 CO -0.01 -0.48 1.74 0.07 0.68 0.00 0.00 175.17 177.16 1vee h LYS 82 N 2.26 1.00 -4.43 2.11 2.10 -1.95 -3.10 116.57 114.56 1vee h LYS 82 Ca -0.40 -0.19 -0.36 0.00 -2.00 0.00 0.00 60.65 57.70 1vee h LYS 82 Cb 1.23 -0.16 -0.10 0.00 -0.90 0.00 0.00 32.23 32.31 1vee h LYS 82 CO 0.68 0.84 -0.30 -0.06 -2.00 0.00 0.00 179.45 178.61 1vee s PHE 83 N -5.51 1.36 0.37 0.07 0.08 -1.26 -0.96 117.98 112.12 1vee s PHE 83 Ca -0.13 -1.46 0.31 0.00 0.12 0.00 0.00 56.93 55.78 1vee s PHE 83 Cb 0.14 -0.33 1.19 0.00 -0.57 0.00 0.00 43.02 43.44 1vee s PHE 83 CO 0.81 -1.05 1.13 -0.25 -0.10 0.00 0.00 175.22 175.76 1vee n ASP 84 N -1.53 0.06 0.00 1.36 9.92 -1.26 -4.60 116.55 120.50 1vee n ASP 84 Ca 0.04 0.83 0.00 0.00 -0.53 0.00 0.00 54.79 55.13 1vee n ASP 84 Cb 0.62 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 1vee n ASP 84 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vee n GLY 85 N -1.55 0.09 0.00 0.44 0.00 -1.26 -3.14 105.19 99.78 1vee n GLY 85 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 0.19 0.00 -0.33 1.61 3.02 -1.26 -4.99 115.26 113.49 1vee n ASN 86 Ca 0.00 -1.00 0.08 0.00 -0.03 0.00 0.00 54.58 53.63 1vee n ASN 86 Cb 0.00 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.36 1vee n ASN 86 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1vee h SER 87 N 0.00 -0.70 -0.45 6.41 4.64 -1.88 -0.18 113.55 121.40 1vee h SER 87 Ca 0.00 0.28 -0.10 0.00 -0.47 0.00 0.00 61.79 61.50 1vee h SER 87 Cb 0.53 0.54 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1vee h SER 87 CO 0.00 -0.32 -0.10 -0.33 -0.87 0.00 0.00 176.83 175.21 1vee h GLU 88 N 0.01 0.85 -0.29 4.77 5.08 -1.92 -0.17 114.58 122.92 1vee h GLU 88 Ca 0.50 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1vee h GLU 88 Cb 0.89 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1vee h GLU 88 CO -0.94 0.96 0.09 1.25 -1.00 0.00 0.00 179.01 179.37 1vee h LEU 89 N 0.69 0.42 -1.36 1.33 7.12 -1.63 -2.33 115.31 119.55 1vee h LEU 89 Ca 0.11 -0.21 -0.00 0.00 0.13 0.00 0.00 57.88 57.91 1vee h LEU 89 Cb 0.64 -0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 40.63 1vee h LEU 89 CO 0.04 0.51 0.33 0.58 -0.13 0.00 0.00 178.44 179.78 1vee h VAL 90 N 0.30 1.16 -0.22 1.05 2.07 -0.95 -1.06 116.25 118.60 1vee h VAL 90 Ca 0.09 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1vee h VAL 90 Cb 0.25 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1vee h VAL 90 CO -0.00 0.17 0.11 0.00 0.02 0.00 0.00 177.57 177.87 1vee h ALA 91 N 1.59 1.78 0.09 1.67 0.00 -0.48 -2.36 119.26 121.56 1vee h ALA 91 Ca 0.20 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1vee h ALA 91 Cb -0.02 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1vee h ALA 91 CO -0.04 0.18 -0.53 1.05 0.00 0.00 0.00 179.25 179.92 1vee h GLU 92 N 0.30 0.18 -0.27 0.00 4.11 -0.94 -3.26 114.58 114.71 1vee h GLU 92 Ca 0.08 -0.31 0.04 0.00 0.07 0.00 0.00 59.36 59.23 1vee h GLU 92 Cb 0.02 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 1vee h GLU 92 CO -0.01 1.15 -0.45 1.25 0.07 0.00 0.00 179.01 181.02 1vee h LEU 93 N -0.61 -1.48 -0.76 3.06 5.85 -0.85 0.21 115.31 120.72 1vee h LEU 93 Ca -0.09 0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.83 1vee h LEU 93 Cb 1.40 0.60 -0.04 0.00 0.37 0.00 0.00 40.66 42.99 1vee h LEU 93 CO 0.09 -0.34 0.50 -0.37 -0.34 0.00 0.00 178.44 177.98 1vee h VAL 94 N -0.36 1.18 -0.34 1.05 -1.51 -1.63 -1.32 116.25 113.31 1vee h VAL 94 Ca 0.05 -0.35 0.01 0.00 -1.23 0.00 0.00 66.70 65.18 1vee h VAL 94 Cb 0.50 0.08 -0.02 0.00 -2.13 0.00 0.00 31.29 29.71 1vee h VAL 94 CO -0.45 0.19 0.21 0.00 -1.23 0.00 0.00 177.57 176.29 1vee h ALA 95 N 1.29 0.43 -0.45 5.19 0.00 -1.36 0.08 119.26 124.44 1vee h ALA 95 Ca 0.28 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1vee h ALA 95 Cb -0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1vee h ALA 95 CO -0.07 -0.13 0.07 -0.07 0.00 0.00 0.00 179.25 179.06 1vee h LEU 96 N 0.44 0.72 -1.10 0.00 4.07 -0.39 -2.87 115.31 116.17 1vee h LEU 96 Ca 0.13 -0.26 0.10 0.00 0.08 0.00 0.00 57.88 57.93 1vee h LEU 96 Cb -0.02 -0.19 -0.07 0.00 1.08 0.00 0.00 40.66 41.45 1vee h LEU 96 CO -0.05 0.79 0.61 0.78 -1.08 0.00 0.00 178.44 179.50 1vee h ASN 97 N 0.61 0.89 0.00 -0.43 2.35 -0.90 -3.45 115.58 114.66 1vee h ASN 97 Ca 0.14 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1vee h ASN 97 Cb 0.38 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1vee h ASN 97 CO 0.01 0.52 0.00 0.61 -1.65 0.00 0.00 177.43 176.91 1vee n GLY 98 N -1.38 -0.49 3.80 2.83 0.00 -0.85 -5.11 105.19 103.99 1vee n GLY 98 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 2.99 0.00 1.61 0.08 -0.04 -2.81 117.98 119.81 1vee s PHE 99 Ca 0.00 1.54 0.00 0.00 0.12 0.00 0.00 56.93 58.59 1vee s PHE 99 Cb 0.00 -3.04 0.00 0.00 -0.57 0.00 0.00 43.02 39.41 1vee s PHE 99 CO 0.00 -0.98 0.99 1.17 -0.10 0.00 0.00 175.22 176.30 1vee n LYS 100 N -1.50 0.00 -3.72 0.44 3.00 -0.01 -4.37 118.16 112.00 1vee n LYS 100 Ca 0.09 0.72 -0.10 0.00 -0.00 0.00 0.00 58.31 59.02 1vee n LYS 100 Cb 0.53 -1.49 -0.04 0.00 0.00 0.00 0.00 35.03 34.03 1vee n LYS 100 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1vee s SER 101 N -2.46 -0.27 -0.20 3.14 0.01 -1.26 -4.98 113.70 107.68 1vee s SER 101 Ca 0.00 -0.45 -0.20 0.00 1.31 0.00 0.00 55.95 56.62 1vee s SER 101 Cb 0.00 0.58 0.05 0.00 0.21 0.00 0.00 66.02 66.86 1vee s SER 101 CO 0.00 -1.04 0.55 0.00 0.41 0.00 0.00 173.24 173.16 1vee s ALA 102 N -3.86 -1.36 0.10 1.44 0.00 -1.26 -1.40 121.76 115.41 1vee s ALA 102 Ca 0.08 1.51 0.08 0.00 0.00 0.00 0.00 51.96 53.63 1vee s ALA 102 Cb -0.01 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 1vee s ALA 102 CO -0.04 -0.27 -0.20 0.71 0.00 0.00 0.00 175.76 175.97 1vee s TYR 103 N 0.19 1.68 -0.23 0.00 1.51 -1.13 -4.21 117.35 115.15 1vee s TYR 103 Ca -0.01 -0.43 -0.04 0.00 -1.01 0.00 0.00 57.07 55.58 1vee s TYR 103 Cb -0.04 -0.92 -0.00 0.00 -0.11 0.00 0.00 41.96 40.89 1vee s TYR 103 CO 0.01 0.18 -0.03 0.00 -1.11 0.00 0.00 175.55 174.61 1vee s ALA 104 N -1.22 2.84 -0.38 3.71 0.00 -0.08 -0.78 121.76 125.84 1vee s ALA 104 Ca 0.05 -1.23 -0.29 0.00 0.00 0.00 0.00 51.96 50.50 1vee s ALA 104 Cb -0.10 -1.76 -0.00 0.00 0.00 0.00 0.00 23.12 21.26 1vee s ALA 104 CO 0.04 -0.53 1.57 0.42 0.00 0.00 0.00 175.76 177.26 1vee s ILE 105 N 1.47 3.72 0.59 0.00 1.09 -1.12 -3.18 121.20 123.78 1vee s ILE 105 Ca 0.05 0.73 -0.18 0.00 -1.10 0.00 0.00 60.65 60.15 1vee s ILE 105 Cb -0.15 -3.98 -0.03 0.00 -1.06 0.00 0.00 42.46 37.24 1vee s ILE 105 CO -0.03 -0.62 1.15 -0.75 -0.10 0.00 0.00 174.94 174.59 1vee s LYS 106 N 5.25 3.07 -1.76 2.79 2.47 -1.26 -2.95 119.74 127.34 1vee s LYS 106 Ca 0.69 1.62 0.00 0.00 -1.56 0.00 0.00 55.97 56.72 1vee s LYS 106 Cb -0.17 -1.96 0.00 0.00 -1.46 0.00 0.00 37.83 34.23 1vee s LYS 106 CO 0.33 -1.08 0.00 -0.25 0.16 0.00 0.00 175.35 174.51 1vee n ASP 107 N -1.71 -5.17 0.00 1.43 8.00 -1.26 -4.42 116.55 113.41 1vee n ASP 107 Ca 0.12 0.41 0.00 0.00 0.71 0.00 0.00 54.79 56.03 1vee n ASP 107 Cb 0.51 -4.13 0.00 0.00 -0.02 0.00 0.00 41.12 37.47 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 -0.71 1.45 0.00 0.44 0.00 -1.15 -1.81 105.19 103.41 1vee n GLY 108 Ca -0.17 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 6.59 1.12 0.42 4.61 0.00 -0.14 -1.19 120.51 131.93 1vee n ALA 109 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1vee n ALA 109 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1vee n ALA 109 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vee n GLU 110 N -0.64 0.85 -0.97 0.00 1.02 -0.71 -3.54 120.64 116.66 1vee n GLU 110 Ca 0.00 -0.08 -0.28 0.00 -0.02 0.00 0.00 57.16 56.77 1vee n GLU 110 Cb 0.00 -1.39 0.20 0.00 -0.02 0.00 0.00 31.44 30.24 1vee n GLU 110 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1vee s GLY 111 N -3.38 1.55 0.40 0.62 0.00 -0.75 -4.87 107.32 100.90 1vee s GLY 111 Ca 0.00 -0.31 0.29 0.00 0.00 0.00 0.00 44.72 44.69 1vee s GLY 111 CO 0.74 0.34 1.86 -0.56 0.00 0.00 0.00 173.10 175.49 1vee h PRO 112 N -2.16 0.00 -0.01 2.90 0.13 -1.95 -2.30 132.00 128.61 1vee h PRO 112 Ca -0.57 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1vee h PRO 112 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1vee h PRO 112 CO 0.56 0.00 0.00 -2.13 -0.23 0.00 0.00 178.00 176.20 1vee n ARG 113 N -2.59 0.12 -0.96 0.86 3.00 -1.26 -4.76 116.66 111.06 1vee n ARG 113 Ca 0.01 -0.80 -0.30 0.00 -0.00 0.00 0.00 57.85 56.75 1vee n ARG 113 Cb 0.21 -1.02 0.24 0.00 0.00 0.00 0.00 32.46 31.89 1vee n ARG 113 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1vee s GLY 114 N -0.31 1.55 0.13 5.14 0.00 -0.87 -4.23 107.32 108.74 1vee s GLY 114 Ca 0.01 -0.86 -0.27 0.00 0.00 0.00 0.00 44.72 43.60 1vee s GLY 114 CO 0.01 0.02 1.46 -0.25 0.00 0.00 0.00 173.10 174.34 1vee h TRP 115 N -2.67 -1.58 -0.75 1.90 2.91 -1.32 0.33 115.95 114.76 1vee h TRP 115 Ca -0.46 0.10 0.06 0.00 1.13 0.00 0.00 58.89 59.73 1vee h TRP 115 Cb 1.30 0.78 -0.05 0.00 -0.51 0.00 0.00 29.16 30.69 1vee h TRP 115 CO -2.07 -0.34 0.49 -0.07 -1.03 0.00 0.00 178.44 175.43 1vee h LEU 116 N -0.08 0.70 -2.28 0.65 3.38 -1.86 -1.66 115.31 114.16 1vee h LEU 116 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1vee h LEU 116 Cb 0.39 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1vee h LEU 116 CO -0.73 0.45 0.00 0.59 0.09 0.00 0.00 178.44 178.84 1vee n ASN 117 N -4.48 3.35 -0.85 -0.43 3.02 -0.63 -4.24 115.26 111.00 1vee n ASN 117 Ca 0.11 -2.06 0.04 0.00 -0.03 0.00 0.00 54.58 52.64 1vee n ASN 117 Cb 0.22 -0.42 0.21 0.00 -0.61 0.00 0.00 39.78 39.18 1vee n ASN 117 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1vee n SER 118 N 1.20 2.95 -1.56 6.41 2.88 0.01 -4.69 113.62 120.82 1vee n SER 118 Ca 0.20 -3.38 -0.18 0.00 -1.33 0.00 0.00 58.87 54.18 1vee n SER 118 Cb 0.55 -0.56 -0.06 0.00 -0.75 0.00 0.00 64.21 63.39 1vee n SER 118 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1vee n SER 119 N -0.94 -5.16 -4.93 -3.46 7.64 -1.25 -4.62 113.62 100.90 1vee n SER 119 Ca 0.25 0.31 -0.25 0.00 1.01 0.00 0.00 58.87 60.19 1vee n SER 119 Cb 0.90 -4.23 -0.01 0.00 -1.01 0.00 0.00 64.21 59.86 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 -4.36 3.89 0.72 -3.43 1.43 -1.21 -5.10 118.68 110.62 1vee s LEU 120 Ca 0.00 0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 53.57 1vee s LEU 120 Cb 0.00 -3.46 0.03 0.00 0.03 0.00 0.00 46.19 42.79 1vee s LEU 120 CO 0.00 -0.39 1.10 -2.16 0.23 0.00 0.00 176.35 175.13 1vee s PRO 121 N -4.45 2.62 -0.28 1.29 0.04 -1.26 -4.80 135.00 128.16 1vee s PRO 121 Ca 0.42 0.31 -0.20 0.00 0.04 0.00 0.00 61.00 61.57 1vee s PRO 121 Cb -0.10 -2.03 0.13 0.00 0.04 0.00 0.00 34.50 32.54 1vee s PRO 121 CO 0.39 -1.16 0.96 -0.46 0.04 0.00 0.00 177.00 176.77 1vee s TRP 122 N -3.38 -0.59 -1.03 0.56 -0.11 -1.26 -4.45 118.94 108.67 1vee s TRP 122 Ca 0.59 1.28 -0.23 0.00 1.22 0.00 0.00 56.10 58.96 1vee s TRP 122 Cb -0.11 0.38 0.02 0.00 -1.50 0.00 0.00 33.47 32.26 1vee s TRP 122 CO 0.50 -0.29 1.63 0.42 -4.62 0.00 0.00 176.95 174.59 1vee s ILE 123 N 0.90 3.81 0.27 5.86 1.01 -0.24 -4.95 121.20 127.88 1vee s ILE 123 Ca -0.04 -0.82 -0.23 0.00 0.00 0.00 0.00 60.65 59.57 1vee s ILE 123 Cb -0.04 -4.80 -0.09 0.00 0.01 0.00 0.00 42.46 37.53 1vee s ILE 123 CO -0.12 -1.67 0.83 -1.61 0.00 0.00 0.00 174.94 172.38 1vee s GLU 124 N 5.44 4.41 1.08 2.79 2.02 -1.26 -1.36 118.70 131.82 1vee s GLU 124 Ca 0.54 1.09 -0.17 0.00 0.02 0.00 0.00 54.97 56.45 1vee s GLU 124 Cb -0.01 -2.83 0.24 0.00 0.10 0.00 0.00 34.13 31.63 1vee s GLU 124 CO -0.04 0.33 1.21 -1.25 0.02 0.00 0.00 175.26 175.53 1vee s PRO 125 N -2.03 -0.26 0.00 0.39 0.04 -1.26 -4.94 135.00 126.94 1vee s PRO 125 Ca 0.47 -0.22 0.18 0.00 0.04 0.00 0.00 61.00 61.47 1vee s PRO 125 Cb -0.17 -1.72 0.81 0.00 0.04 0.00 0.00 34.50 33.45 1vee s PRO 125 CO 0.22 -3.05 1.57 1.17 0.04 0.00 0.00 177.00 176.95 1vee n LYS 126 N -4.26 0.08 -0.93 4.56 3.00 -1.26 -4.81 118.16 114.54 1vee n LYS 126 Ca 0.14 0.17 -0.29 0.00 -0.00 0.00 0.00 58.31 58.33 1vee n LYS 126 Cb 0.59 -1.50 0.22 0.00 0.00 0.00 0.00 35.03 34.34 1vee n LYS 126 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1vee s LYS 127 N -2.87 -0.52 0.00 1.64 2.47 -1.26 -5.01 119.74 114.19 1vee s LYS 127 Ca 0.11 0.45 0.00 0.00 -1.56 0.00 0.00 55.97 54.97 1vee s LYS 127 Cb 0.12 -1.63 0.00 0.00 -1.46 0.00 0.00 37.83 34.86 1vee s LYS 127 CO 0.31 -3.36 0.00 0.25 0.16 0.00 0.00 175.35 172.71 1vee n THR 128 N -4.60 0.00 -1.60 3.43 -2.24 -1.26 -5.13 114.28 102.88 1vee n THR 128 Ca 0.06 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.46 1vee n THR 128 Cb 0.57 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.84 1vee n THR 128 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1vee n SER 129 N -1.36 0.68 0.00 3.42 2.88 -1.26 -4.41 113.62 113.57 1vee n SER 129 Ca 0.00 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 1vee n SER 129 Cb 0.00 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.10 1vee n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vee n GLY 130 N 1.32 1.45 3.73 0.46 0.00 -1.26 -5.11 105.19 105.78 1vee n GLY 130 Ca 0.12 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 1vee n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vee s PRO 131 N 0.00 0.91 0.00 1.61 0.04 -1.26 -5.02 135.00 131.28 1vee s PRO 131 Ca 0.00 0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.51 1vee s PRO 131 Cb 0.00 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1vee s PRO 131 CO 0.00 -2.39 0.00 -1.13 0.04 0.00 0.00 177.00 173.52 1vee n SER 132 N -3.93 0.00 -3.85 6.66 3.41 -1.26 -5.14 113.62 109.50 1vee n SER 132 Ca 0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.55 1vee n SER 132 Cb 0.58 0.16 -0.12 0.00 -0.26 0.00 0.00 64.21 64.56 1vee n SER 132 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1vee s SER 133 N -1.59 -0.06 0.00 4.04 0.01 -1.26 -5.27 113.70 109.57 1vee s SER 133 Ca 0.00 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.35 1vee s SER 133 Cb 0.00 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.45 1vee s SER 133 CO 0.00 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.14