#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 6.38 0.00 1.61 0.01 -1.26 -4.91 113.70 115.53 1vee s SER 2 Ca 0.00 2.98 0.00 0.00 1.31 0.00 0.00 55.95 60.24 1vee s SER 2 Cb 0.00 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1vee s SER 2 CO 0.00 -0.87 0.00 -1.54 0.41 0.00 0.00 173.24 171.24 1vee n SER 3 N 1.32 0.00 -4.64 2.44 3.41 -1.26 -5.05 113.62 109.84 1vee n SER 3 Ca 0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.23 1vee n SER 3 Cb 0.39 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.31 1vee n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1vee s GLY 4 N -3.39 1.33 -0.14 5.00 0.00 -1.26 -4.92 107.32 103.94 1vee s GLY 4 Ca 0.00 0.73 -0.31 0.00 0.00 0.00 0.00 44.72 45.14 1vee s GLY 4 CO 0.00 3.08 2.07 1.44 0.00 0.00 0.00 173.10 179.69 1vee n SER 5 N 8.00 3.40 -3.27 1.64 7.64 -1.26 -4.88 113.62 124.89 1vee n SER 5 Ca 0.19 0.61 -0.15 0.00 1.01 0.00 0.00 58.87 60.52 1vee n SER 5 Cb 0.44 -1.46 -0.05 0.00 -1.01 0.00 0.00 64.21 62.13 1vee n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1vee s SER 6 N 6.10 1.00 0.00 6.43 1.04 -1.26 -0.95 113.70 126.07 1vee s SER 6 Ca 0.97 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1vee s SER 6 Cb -0.52 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1vee s SER 6 CO 0.43 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1vee n GLY 7 N -0.57 -0.31 3.33 7.32 0.00 -1.23 -4.95 105.19 108.79 1vee n GLY 7 Ca 0.02 0.55 -0.27 0.00 0.00 0.00 0.00 46.02 46.31 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 2.94 0.24 1.61 0.01 -1.26 -4.03 113.70 109.20 1vee s SER 8 Ca 0.00 -0.67 -0.06 0.00 1.31 0.00 0.00 55.95 56.53 1vee s SER 8 Cb 0.00 -0.20 0.35 0.00 0.21 0.00 0.00 66.02 66.38 1vee s SER 8 CO 0.00 0.15 1.81 0.00 0.41 0.00 0.00 173.24 175.61 1vee h ALA 9 N 4.22 1.10 -0.89 1.44 0.00 -1.81 -1.67 119.26 121.64 1vee h ALA 9 Ca -0.48 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.52 1vee h ALA 9 Cb 1.17 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 1vee h ALA 9 CO 0.41 0.08 0.56 0.87 0.00 0.00 0.00 179.25 181.17 1vee h LYS 10 N 0.76 1.00 -0.66 0.00 1.57 -1.91 -1.08 116.57 116.24 1vee h LYS 10 Ca 0.37 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.08 1vee h LYS 10 Cb 0.31 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1vee h LYS 10 CO -0.23 0.66 0.37 -0.97 -0.57 0.00 0.00 179.45 178.71 1vee h ASN 11 N 1.03 0.82 -0.23 0.86 -1.24 -1.73 -1.07 115.58 114.02 1vee h ASN 11 Ca 0.38 -0.09 -0.02 0.00 0.71 0.00 0.00 56.30 57.29 1vee h ASN 11 Cb 0.15 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 1vee h ASN 11 CO -0.17 0.67 0.08 0.00 -1.29 0.00 0.00 177.43 176.72 1vee h ALA 12 N 1.18 0.30 -0.96 1.57 0.00 -1.00 0.10 119.26 120.45 1vee h ALA 12 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1vee h ALA 12 Cb 0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1vee h ALA 12 CO -0.04 -0.09 0.60 -0.92 0.00 0.00 0.00 179.25 178.80 1vee h TYR 13 N 0.21 1.24 0.35 0.00 3.20 -1.08 0.88 116.97 121.77 1vee h TYR 13 Ca 0.07 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1vee h TYR 13 Cb 0.21 -0.41 0.00 0.00 1.54 0.00 0.00 36.73 38.07 1vee h TYR 13 CO -0.00 0.81 -0.17 1.15 -1.64 0.00 0.00 178.16 178.31 1vee h THR 14 N 1.31 0.67 -0.74 1.81 2.02 -0.96 -2.66 112.91 114.37 1vee h THR 14 Ca 0.35 -0.27 0.06 0.00 0.77 0.00 0.00 66.41 67.31 1vee h THR 14 Cb -0.09 0.81 -0.06 0.00 -1.74 0.00 0.00 68.15 67.08 1vee h THR 14 CO -0.07 0.05 0.44 0.11 0.37 0.00 0.00 175.52 176.42 1vee h LYS 15 N -0.62 0.79 -0.00 6.66 1.79 -0.44 -0.32 116.57 124.42 1vee h LYS 15 Ca -0.05 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1vee h LYS 15 Cb 0.45 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1vee h LYS 15 CO 0.08 0.52 0.00 -0.07 -1.08 0.00 0.00 179.45 178.90 1vee h LEU 16 N 0.81 0.00 -0.08 2.94 3.38 -0.71 0.39 115.31 122.04 1vee h LEU 16 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1vee h LEU 16 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1vee h LEU 16 CO -0.17 0.00 -0.57 0.61 0.09 0.00 0.00 178.44 178.40 1vee n GLY 17 N -1.10 -1.10 0.00 0.83 0.00 -0.15 -4.30 105.19 99.36 1vee n GLY 17 Ca -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.37 0.00 -3.25 2.61 5.66 -0.39 -4.93 114.28 112.61 1vee n THR 18 Ca 0.06 -0.08 -0.44 0.00 -3.05 0.00 0.00 64.05 60.54 1vee n THR 18 Cb 0.34 0.53 -0.06 0.00 -1.55 0.00 0.00 70.33 69.59 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 -1.55 6.18 0.56 1.09 2.15 0.12 -4.91 116.67 120.33 1vee s ASP 19 Ca 0.00 -1.27 0.30 0.00 0.43 0.00 0.00 52.55 52.01 1vee s ASP 19 Cb 0.00 -2.24 1.68 0.00 -0.30 0.00 0.00 42.92 42.06 1vee s ASP 19 CO 0.00 -0.83 2.17 0.44 -0.17 0.00 0.00 175.17 176.78 1vee h ASP 20 N 8.92 0.00 -0.02 -0.34 3.32 -1.87 -2.30 116.42 124.14 1vee h ASP 20 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1vee h ASP 20 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1vee h ASP 20 CO 0.97 0.06 -0.01 0.59 -1.72 0.00 0.00 179.24 179.12 1vee n ASN 21 N -3.67 2.11 -4.81 6.45 4.13 -1.26 -4.96 115.26 113.25 1vee n ASN 21 Ca -0.02 -1.69 -0.34 0.00 1.68 0.00 0.00 54.58 54.21 1vee n ASN 21 Cb 0.16 0.01 -0.07 0.00 -1.54 0.00 0.00 39.78 38.34 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 -2.02 3.13 0.04 5.41 0.00 -0.87 -1.63 121.76 125.82 1vee s ALA 22 Ca 0.33 0.38 -0.11 0.00 0.00 0.00 0.00 51.96 52.56 1vee s ALA 22 Cb 0.21 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 20.24 1vee s ALA 22 CO 0.33 0.17 0.24 -0.65 0.00 0.00 0.00 175.76 175.85 1vee s GLN 23 N -2.83 0.74 -0.17 0.00 -1.52 0.19 -4.89 119.66 111.17 1vee s GLN 23 Ca 0.57 -0.57 -0.06 0.00 -1.95 0.00 0.00 55.36 53.36 1vee s GLN 23 Cb -0.12 0.31 -0.04 0.00 -0.22 0.00 0.00 33.01 32.95 1vee s GLN 23 CO 0.16 -0.22 0.04 -1.17 -0.25 0.00 0.00 175.29 173.85 1vee s LEU 24 N -2.05 3.69 -0.20 2.90 1.98 -1.26 -1.16 118.68 122.57 1vee s LEU 24 Ca -0.05 0.05 0.01 0.00 -2.89 0.00 0.00 54.13 51.25 1vee s LEU 24 Cb -0.01 -1.92 0.04 0.00 0.66 0.00 0.00 46.19 44.96 1vee s LEU 24 CO -0.03 0.20 -0.12 -0.22 -1.89 0.00 0.00 176.35 174.28 1vee s LEU 25 N 0.22 2.45 -0.60 -0.68 2.96 -0.23 -2.14 118.68 120.66 1vee s LEU 25 Ca 0.03 -0.93 -0.25 0.00 -0.22 0.00 0.00 54.13 52.76 1vee s LEU 25 Cb -0.13 -1.34 0.04 0.00 0.50 0.00 0.00 46.19 45.27 1vee s LEU 25 CO 0.01 -0.12 1.03 -1.81 -1.32 0.00 0.00 176.35 174.14 1vee s ASP 26 N 1.32 6.31 0.00 3.68 1.01 0.60 -2.08 116.67 127.51 1vee s ASP 26 Ca -0.01 -0.38 0.23 0.00 0.71 0.00 0.00 52.55 53.10 1vee s ASP 26 Cb -0.16 -2.47 0.80 0.00 1.01 0.00 0.00 42.92 42.10 1vee s ASP 26 CO -0.09 -1.38 1.59 2.30 0.21 0.00 0.00 175.17 177.80 1vee n ILE 27 N 6.26 0.16 -0.62 0.77 -5.35 0.16 -1.65 119.36 119.08 1vee n ILE 27 Ca 0.02 -0.35 -0.31 0.00 -0.27 0.00 0.00 62.75 61.85 1vee n ILE 27 Cb 0.48 0.48 0.19 0.00 -1.74 0.00 0.00 39.64 39.05 1vee n ILE 27 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1vee n ARG 28 N 0.38 -1.37 -2.90 6.28 1.74 -1.17 -2.96 116.66 116.66 1vee n ARG 28 Ca 0.17 -0.36 -0.38 0.00 -0.77 0.00 0.00 57.85 56.51 1vee n ARG 28 Cb 0.36 -2.08 -0.06 0.00 -1.02 0.00 0.00 32.46 29.66 1vee n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vee s ALA 29 N -2.43 3.37 0.46 7.54 0.00 -1.26 -4.22 121.76 125.21 1vee s ALA 29 Ca 0.64 0.42 0.25 0.00 0.00 0.00 0.00 51.96 53.27 1vee s ALA 29 Cb -0.21 -3.04 1.28 0.00 0.00 0.00 0.00 23.12 21.15 1vee s ALA 29 CO 0.64 0.25 1.80 1.15 0.00 0.00 0.00 175.76 179.60 1vee h THR 30 N 3.02 0.50 -0.49 0.00 2.02 -1.99 0.21 112.91 116.19 1vee h THR 30 Ca -0.47 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 1vee h THR 30 Cb 1.20 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1vee h THR 30 CO 0.66 0.04 0.22 0.00 0.37 0.00 0.00 175.52 176.81 1vee h ALA 31 N 1.55 1.46 -0.73 6.16 0.00 -2.01 -1.80 119.26 123.89 1vee h ALA 31 Ca 0.56 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 1vee h ALA 31 Cb 1.73 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 1vee h ALA 31 CO -0.17 0.42 0.25 -0.44 0.00 0.00 0.00 179.25 179.31 1vee h ASP 32 N 0.69 1.04 -0.01 0.00 3.32 -0.96 -2.71 116.42 117.80 1vee h ASP 32 Ca 0.17 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1vee h ASP 32 Cb 0.10 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 1vee h ASP 32 CO -0.02 0.95 0.06 -0.26 -1.72 0.00 0.00 179.24 178.25 1vee h PHE 33 N 1.08 0.00 0.00 4.55 -1.00 -1.30 0.13 116.94 120.40 1vee h PHE 33 Ca 0.24 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.90 1vee h PHE 33 Cb 0.27 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.81 1vee h PHE 33 CO 0.02 0.00 -1.78 0.54 -1.61 0.00 0.00 178.31 175.48 1vee n ARG 34 N -3.15 0.65 0.00 1.51 1.74 -1.03 -3.31 116.66 113.06 1vee n ARG 34 Ca -0.03 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1vee n ARG 34 Cb 0.13 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 1vee n ARG 34 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1vee n GLN 35 N -2.58 0.00 0.09 5.56 6.02 -0.58 -4.67 117.38 121.22 1vee n GLN 35 Ca -0.11 0.23 -0.08 0.00 -0.01 0.00 0.00 57.00 57.03 1vee n GLN 35 Cb 0.75 -0.73 -0.04 0.00 1.02 0.00 0.00 30.24 31.25 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 0.00 1.56 0.00 5.09 3.04 -1.06 -3.41 116.25 121.47 1vee h VAL 36 Ca 0.00 -2.87 0.00 0.00 -1.01 0.00 0.00 66.70 62.82 1vee h VAL 36 Cb 0.00 2.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.89 1vee h VAL 36 CO 0.00 0.83 0.00 0.61 -1.01 0.00 0.00 177.57 178.00 1vee n GLY 37 N 1.03 0.91 3.27 3.17 0.00 -1.13 -4.24 105.19 108.21 1vee n GLY 37 Ca -0.03 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.28 1vee n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vee s SER 38 N -4.00 0.07 0.87 1.61 0.01 -0.19 -4.13 113.70 107.95 1vee s SER 38 Ca 0.00 -0.75 -0.11 0.00 1.31 0.00 0.00 55.95 56.40 1vee s SER 38 Cb 0.00 0.39 0.12 0.00 0.21 0.00 0.00 66.02 66.74 1vee s SER 38 CO 0.00 -0.82 1.09 -2.16 0.41 0.00 0.00 173.24 171.77 1vee s PRO 39 N -3.91 1.44 -0.44 12.44 0.04 -1.26 -0.54 135.00 142.76 1vee s PRO 39 Ca 0.11 0.99 0.02 0.00 0.04 0.00 0.00 61.00 62.17 1vee s PRO 39 Cb 0.04 -1.82 0.13 0.00 0.04 0.00 0.00 34.50 32.89 1vee s PRO 39 CO -0.06 -2.16 0.21 1.21 0.04 0.00 0.00 177.00 176.24 1vee s ASN 40 N -3.31 4.00 -0.01 6.66 3.04 -1.26 -4.43 114.94 119.64 1vee s ASN 40 Ca 0.63 -2.56 0.05 0.00 0.04 0.00 0.00 52.86 51.02 1vee s ASN 40 Cb -0.18 -1.25 -0.08 0.00 -1.54 0.00 0.00 41.25 38.20 1vee s ASN 40 CO 0.57 -0.29 0.11 2.30 -3.04 0.00 0.00 177.10 176.76 1vee n ILE 41 N 3.66 0.00 -0.25 -5.21 -5.35 -1.26 -4.53 119.36 106.41 1vee n ILE 41 Ca 0.06 -0.12 0.32 0.00 -0.27 0.00 0.00 62.75 62.73 1vee n ILE 41 Cb 0.35 0.40 0.59 0.00 -1.74 0.00 0.00 39.64 39.25 1vee n ILE 41 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1vee h LYS 42 N 0.00 0.00 -0.54 6.28 1.57 -1.93 -0.66 116.57 121.30 1vee h LYS 42 Ca 0.00 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 1vee h LYS 42 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1vee h LYS 42 CO 0.00 0.00 0.44 0.78 -0.57 0.00 0.00 179.45 180.10 1vee h GLY 43 N 0.00 0.00 0.00 3.86 0.00 -1.90 -2.64 103.07 102.38 1vee h GLY 43 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1vee h GLY 43 CO -0.01 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.57 1vee n LEU 44 N -4.11 0.37 0.00 3.11 4.77 -0.25 -5.04 117.00 115.84 1vee n LEU 44 Ca 0.10 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1vee n LEU 44 Cb 0.66 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1vee n LEU 44 CO 0.34 -0.42 0.00 0.61 -1.33 0.00 0.00 177.39 176.58 1vee n GLY 45 N 2.00 0.00 3.59 -0.72 0.00 -1.00 -5.12 105.19 103.95 1vee n GLY 45 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 2.00 -0.03 1.61 -0.14 -1.26 -5.03 119.74 116.89 1vee s LYS 46 Ca 0.00 -2.24 0.02 0.00 -1.36 0.00 0.00 55.97 52.39 1vee s LYS 46 Cb 0.00 -0.91 0.01 0.00 -1.68 0.00 0.00 37.83 35.25 1vee s LYS 46 CO 0.00 -0.43 -0.08 -1.59 -0.76 0.00 0.00 175.35 172.50 1vee s LYS 47 N -3.76 0.95 0.94 1.68 -2.85 -1.26 -3.87 119.74 111.56 1vee s LYS 47 Ca 0.19 -0.24 -0.12 0.00 -1.00 0.00 0.00 55.97 54.80 1vee s LYS 47 Cb 0.03 -0.89 0.16 0.00 -2.06 0.00 0.00 37.83 35.06 1vee s LYS 47 CO 0.11 0.05 1.09 0.00 0.10 0.00 0.00 175.35 176.70 1vee s ALA 48 N 0.43 1.30 -0.03 0.59 0.00 -1.26 -4.52 121.76 118.27 1vee s ALA 48 Ca -0.07 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.68 1vee s ALA 48 Cb -0.11 -3.14 0.01 0.00 0.00 0.00 0.00 23.12 19.88 1vee s ALA 48 CO 0.01 -2.56 -0.06 0.08 0.00 0.00 0.00 175.76 173.23 1vee s VAL 49 N -2.98 0.56 -0.24 0.00 1.01 -0.91 -5.02 120.40 112.82 1vee s VAL 49 Ca 0.64 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.39 1vee s VAL 49 Cb -0.18 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.70 1vee s VAL 49 CO 0.57 0.20 -0.07 -0.94 0.00 0.00 0.00 175.10 174.86 1vee s SER 50 N 0.39 4.26 -0.22 3.32 1.04 -1.26 -0.29 113.70 120.93 1vee s SER 50 Ca -0.05 -0.82 -0.03 0.00 0.48 0.00 0.00 55.95 55.53 1vee s SER 50 Cb -0.09 -1.66 0.10 0.00 0.10 0.00 0.00 66.02 64.47 1vee s SER 50 CO 0.00 -0.11 0.24 -0.89 0.98 0.00 0.00 173.24 173.45 1vee s THR 51 N 1.34 -0.34 -0.26 2.02 2.01 -0.66 -4.99 115.64 114.77 1vee s THR 51 Ca 0.01 -0.21 -0.28 0.00 0.31 0.00 0.00 61.69 61.51 1vee s THR 51 Cb -0.16 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 1vee s THR 51 CO -0.05 -0.27 1.89 -0.69 -0.69 0.00 0.00 174.62 174.81 1vee s VAL 52 N 2.33 3.36 0.60 3.82 1.01 -1.26 -4.11 120.40 126.15 1vee s VAL 52 Ca 0.08 0.38 -0.16 0.00 0.00 0.00 0.00 61.98 62.28 1vee s VAL 52 Cb -0.15 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1vee s VAL 52 CO -0.17 -0.26 1.06 -0.47 0.00 0.00 0.00 175.10 175.26 1vee s TYR 53 N 6.81 3.00 -0.28 5.22 5.04 -1.16 -4.97 117.35 131.01 1vee s TYR 53 Ca 0.84 1.51 -0.20 0.00 -2.44 0.00 0.00 57.07 56.78 1vee s TYR 53 Cb -0.27 -3.00 0.11 0.00 0.35 0.00 0.00 41.96 39.15 1vee s TYR 53 CO 0.34 -1.11 0.89 1.21 -1.34 0.00 0.00 175.55 175.53 1vee s ASN 54 N -2.82 -0.63 0.39 4.32 3.84 -1.26 -5.02 114.94 113.77 1vee s ASN 54 Ca 0.63 1.09 0.07 0.00 0.21 0.00 0.00 52.86 54.87 1vee s ASN 54 Cb -0.16 1.19 0.83 0.00 -0.55 0.00 0.00 41.25 42.56 1vee s ASN 54 CO 0.37 -0.18 2.02 1.23 -2.79 0.00 0.00 177.10 177.75 1vee h GLY 55 N 5.51 0.70 2.00 1.21 0.00 -2.00 -0.98 103.07 109.52 1vee h GLY 55 Ca -0.29 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 1vee h GLY 55 CO 0.14 0.21 -0.17 0.83 0.00 0.00 0.00 176.54 177.55 1vee h GLU 56 N 0.62 0.00 -0.48 4.80 4.39 -2.02 -3.02 114.58 118.87 1vee h GLU 56 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1vee h GLU 56 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1vee h GLU 56 CO -0.06 0.17 0.00 -3.47 -1.16 0.00 0.00 179.01 174.49 1vee n ASP 57 N -3.59 4.22 -0.41 1.42 2.03 -0.41 -4.81 116.55 115.01 1vee n ASP 57 Ca -0.01 -2.52 -0.11 0.00 0.52 0.00 0.00 54.79 52.67 1vee n ASP 57 Cb 0.31 -0.50 -0.10 0.00 -0.72 0.00 0.00 41.12 40.11 1vee n ASP 57 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1vee n LYS 58 N 0.56 -0.43 -0.05 -0.67 5.02 -1.00 -0.03 118.16 121.56 1vee n LYS 58 Ca 0.22 1.47 -0.11 0.00 -2.02 0.00 0.00 58.31 57.87 1vee n LYS 58 Cb 0.81 -2.16 -0.05 0.00 -0.02 0.00 0.00 35.03 33.62 1vee n LYS 58 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1vee h PRO 59 N 0.00 0.28 0.00 1.97 0.13 -1.89 -1.43 132.00 131.06 1vee h PRO 59 Ca 0.16 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 1vee h PRO 59 Cb 0.40 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.48 1vee h PRO 59 CO -0.91 0.38 -0.07 0.78 -0.23 0.00 0.00 178.00 177.95 1vee h GLY 60 N 0.12 0.00 0.00 1.56 0.00 -1.67 -2.42 103.07 100.66 1vee h GLY 60 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 1vee h GLY 60 CO -0.00 0.00 -0.37 -2.75 0.00 0.00 0.00 176.54 173.42 1vee h PHE 61 N 0.00 0.00 -0.53 5.60 3.57 -0.29 -3.38 116.94 121.92 1vee h PHE 61 Ca -0.00 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1vee h PHE 61 Cb 0.29 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.95 1vee h PHE 61 CO 0.00 1.13 0.08 -0.07 -2.23 0.00 0.00 178.31 177.21 1vee h LEU 62 N -1.00 -0.06 -0.79 0.59 3.38 -1.01 -2.30 115.31 114.12 1vee h LEU 62 Ca -0.10 0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.11 1vee h LEU 62 Cb 1.07 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.89 1vee h LEU 62 CO -0.06 -0.01 0.37 0.07 0.09 0.00 0.00 178.44 178.91 1vee h LYS 63 N 0.21 0.54 -0.04 1.13 2.10 -1.61 -1.04 116.57 117.85 1vee h LYS 63 Ca 0.27 -0.03 0.01 0.00 -2.00 0.00 0.00 60.65 58.90 1vee h LYS 63 Cb 0.39 -0.12 -0.00 0.00 -0.90 0.00 0.00 32.23 31.59 1vee h LYS 63 CO -0.37 0.36 0.10 0.87 -2.00 0.00 0.00 179.45 178.41 1vee h LYS 64 N 0.56 0.00 0.00 0.07 1.57 -1.58 -0.23 116.57 116.96 1vee h LYS 64 Ca 0.43 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.10 1vee h LYS 64 Cb 0.59 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1vee h LYS 64 CO -0.36 0.00 -0.68 -0.07 -0.57 0.00 0.00 179.45 177.77 1vee h LEU 65 N 0.00 0.00 -2.00 2.94 3.38 -1.28 -3.29 115.31 115.06 1vee h LEU 65 Ca 0.02 -0.49 0.13 0.00 0.09 0.00 0.00 57.88 57.62 1vee h LEU 65 Cb 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1vee h LEU 65 CO -0.00 1.14 0.31 -1.28 0.09 0.00 0.00 178.44 178.70 1vee h SER 66 N -1.00 0.00 0.35 -0.43 0.87 -1.14 0.17 113.55 112.37 1vee h SER 66 Ca -0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1vee h SER 66 Cb 0.95 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1vee h SER 66 CO -0.10 0.00 -0.11 0.00 -0.53 0.00 0.00 176.83 176.09 1vee n LEU 67 N -4.41 0.49 -0.03 2.23 -0.00 -0.15 -4.11 117.00 111.03 1vee n LEU 67 Ca 0.07 -0.01 -0.04 0.00 -0.00 0.00 0.00 56.01 56.03 1vee n LEU 67 Cb 0.51 -0.17 -0.04 0.00 -0.00 0.00 0.00 43.42 43.72 1vee n LEU 67 CO 0.36 0.09 -0.72 2.29 -0.00 0.00 0.00 177.39 179.42 1vee n LYS 68 N -0.93 1.15 -3.06 1.47 -0.00 -0.12 -4.97 118.16 111.71 1vee n LYS 68 Ca 0.15 0.03 -0.41 0.00 -0.00 0.00 0.00 58.31 58.07 1vee n LYS 68 Cb 0.28 -1.14 -0.06 0.00 -0.00 0.00 0.00 35.03 34.11 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 -2.14 3.29 0.09 5.58 0.08 -0.23 -4.99 117.98 119.66 1vee s PHE 69 Ca -0.07 0.90 -0.28 0.00 0.12 0.00 0.00 56.93 57.59 1vee s PHE 69 Cb 0.02 -2.89 -0.15 0.00 -0.57 0.00 0.00 43.02 39.43 1vee s PHE 69 CO 0.19 -0.34 1.66 1.57 -0.10 0.00 0.00 175.22 178.20 1vee h LYS 70 N 7.82 -0.51 -3.27 0.44 2.10 -1.89 -3.36 116.57 117.90 1vee h LYS 70 Ca -0.26 0.03 -0.65 0.00 -2.00 0.00 0.00 60.65 57.77 1vee h LYS 70 Cb 1.12 0.12 -0.39 0.00 -0.90 0.00 0.00 32.23 32.17 1vee h LYS 70 CO 0.80 -0.34 -0.45 -0.51 -2.00 0.00 0.00 179.45 176.95 1vee s ASP 71 N -4.74 5.03 0.26 7.07 1.01 -1.26 -4.94 116.67 119.10 1vee s ASP 71 Ca -0.16 -3.51 -0.03 0.00 0.71 0.00 0.00 52.55 49.56 1vee s ASP 71 Cb 0.05 -1.73 0.41 0.00 1.01 0.00 0.00 42.92 42.66 1vee s ASP 71 CO 0.64 -0.18 1.86 1.55 0.21 0.00 0.00 175.17 179.25 1vee h PRO 72 N 5.99 1.02 0.00 8.23 0.13 -1.92 -1.47 132.00 143.99 1vee h PRO 72 Ca 0.08 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1vee h PRO 72 Cb 0.82 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1vee h PRO 72 CO 0.74 0.68 0.00 -0.85 -0.23 0.00 0.00 178.00 178.34 1vee n GLU 73 N -4.58 0.20 0.00 0.86 0.28 -1.24 -1.72 120.64 114.45 1vee n GLU 73 Ca 0.15 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.18 1vee n GLU 73 Cb 0.22 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.59 1vee n GLU 73 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1vee n ASN 74 N -1.04 0.54 -4.80 -1.84 5.03 -0.63 -3.82 115.26 108.70 1vee n ASN 74 Ca 0.05 -0.23 -0.38 0.00 0.87 0.00 0.00 54.58 54.89 1vee n ASN 74 Cb 0.03 0.57 -0.06 0.00 -1.02 0.00 0.00 39.78 39.29 1vee n ASN 74 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1vee s THR 75 N -0.67 4.87 -0.25 3.41 2.01 -0.70 -4.83 115.64 119.49 1vee s THR 75 Ca 0.00 1.12 -0.10 0.00 0.31 0.00 0.00 61.69 63.02 1vee s THR 75 Cb 0.00 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.61 1vee s THR 75 CO 0.00 0.52 0.15 -0.89 -0.69 0.00 0.00 174.62 173.71 1vee s THR 76 N -0.78 5.21 -0.51 -0.82 2.01 -0.65 -3.35 115.64 116.75 1vee s THR 76 Ca 0.28 0.13 -0.06 0.00 0.31 0.00 0.00 61.69 62.35 1vee s THR 76 Cb -0.18 -3.44 0.13 0.00 0.01 0.00 0.00 72.50 69.02 1vee s THR 76 CO 0.17 0.33 0.35 -0.76 -0.69 0.00 0.00 174.62 174.01 1vee s LEU 77 N 1.26 5.53 -0.14 4.42 1.02 -0.90 -0.64 118.68 129.23 1vee s LEU 77 Ca 0.07 -2.22 -0.29 0.00 0.02 0.00 0.00 54.13 51.71 1vee s LEU 77 Cb -0.14 -1.93 -0.02 0.00 0.02 0.00 0.00 46.19 44.11 1vee s LEU 77 CO 0.06 -0.57 1.35 -0.31 0.02 0.00 0.00 176.35 176.90 1vee s TYR 78 N 0.88 2.66 0.61 0.29 1.51 -0.31 -3.30 117.35 119.69 1vee s TYR 78 Ca 0.10 0.83 -0.14 0.00 -1.01 0.00 0.00 57.07 56.85 1vee s TYR 78 Cb -0.23 -3.60 -0.03 0.00 -0.11 0.00 0.00 41.96 37.99 1vee s TYR 78 CO -0.03 -2.18 1.04 0.42 -1.11 0.00 0.00 175.55 173.69 1vee s ILE 79 N 3.61 4.14 -0.27 2.71 -1.09 0.18 -1.06 121.20 129.42 1vee s ILE 79 Ca 0.59 0.88 -0.02 0.00 -2.23 0.00 0.00 60.65 59.87 1vee s ILE 79 Cb -0.24 -3.52 0.16 0.00 -1.58 0.00 0.00 42.46 37.28 1vee s ILE 79 CO 0.18 -0.73 0.51 -0.22 -1.23 0.00 0.00 174.94 173.45 1vee s LEU 80 N -4.80 -1.07 0.36 2.97 0.20 -0.88 -3.93 118.68 111.53 1vee s LEU 80 Ca 0.60 0.65 0.06 0.00 0.69 0.00 0.00 54.13 56.12 1vee s LEU 80 Cb -0.13 1.74 -0.07 0.00 -0.43 0.00 0.00 46.19 47.29 1vee s LEU 80 CO 0.43 -0.27 0.02 -0.62 -0.29 0.00 0.00 176.35 175.61 1vee s ASP 81 N 2.73 3.17 0.30 3.68 2.15 -1.26 -0.67 116.67 126.77 1vee s ASP 81 Ca 0.16 -1.35 0.03 0.00 0.43 0.00 0.00 52.55 51.83 1vee s ASP 81 Cb -0.15 -0.25 0.62 0.00 -0.30 0.00 0.00 42.92 42.84 1vee s ASP 81 CO -0.19 -0.49 1.86 0.07 -0.17 0.00 0.00 175.17 176.25 1vee h LYS 82 N 1.97 0.90 0.00 4.34 2.10 -1.93 -0.16 116.57 123.79 1vee h LYS 82 Ca -0.42 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1vee h LYS 82 Cb 1.24 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1vee h LYS 82 CO 0.75 0.59 0.00 1.19 -2.00 0.00 0.00 179.45 179.98 1vee n PHE 83 N -4.58 0.00 0.30 0.07 3.72 -1.26 -1.61 117.46 114.10 1vee n PHE 83 Ca 0.18 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.46 1vee n PHE 83 Cb 0.36 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.84 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 -0.67 0.00 4.37 3.58 -1.88 -3.03 116.42 118.79 1vee h ASP 84 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1vee h ASP 84 Cb 0.00 0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1vee h ASP 84 CO 0.00 -0.39 0.00 0.61 -2.88 0.00 0.00 179.24 176.58 1vee n GLY 85 N -0.69 0.26 0.00 -0.78 0.00 -1.26 -1.14 105.19 101.57 1vee n GLY 85 Ca -0.10 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 1.78 0.00 -0.30 1.61 3.02 -1.26 -4.97 115.26 115.13 1vee n ASN 86 Ca 0.00 -1.00 -0.02 0.00 -0.03 0.00 0.00 54.58 53.53 1vee n ASN 86 Cb 0.00 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.21 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 -1.25 -0.35 6.41 0.02 -1.45 0.77 113.55 117.70 1vee h SER 87 Ca 0.00 0.27 -0.15 0.00 -0.84 0.00 0.00 61.79 61.07 1vee h SER 87 Cb 0.97 0.66 -0.01 0.00 0.14 0.00 0.00 62.40 64.16 1vee h SER 87 CO 0.00 -0.29 -0.34 -0.33 -1.14 0.00 0.00 176.83 174.72 1vee h GLU 88 N -0.07 0.89 0.06 3.45 5.08 -1.93 -1.10 114.58 120.96 1vee h GLU 88 Ca 0.31 -0.44 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1vee h GLU 88 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1vee h GLU 88 CO -0.85 1.09 -0.03 1.25 -1.00 0.00 0.00 179.01 179.47 1vee h LEU 89 N 0.74 -0.07 -1.48 1.33 7.12 -1.71 -2.24 115.31 119.01 1vee h LEU 89 Ca 0.07 -0.04 -0.05 0.00 0.13 0.00 0.00 57.88 57.99 1vee h LEU 89 Cb 0.92 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 41.06 1vee h LEU 89 CO 0.08 -0.01 -0.23 0.58 -0.13 0.00 0.00 178.44 178.74 1vee h VAL 90 N -0.12 1.18 -0.54 1.05 2.07 -0.87 0.42 116.25 119.44 1vee h VAL 90 Ca -0.01 -0.85 -0.08 0.00 0.82 0.00 0.00 66.70 66.59 1vee h VAL 90 Cb 0.10 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1vee h VAL 90 CO 0.01 0.25 0.02 0.00 0.02 0.00 0.00 177.57 177.87 1vee h ALA 91 N 1.73 1.02 0.10 1.67 0.00 -0.72 -2.69 119.26 120.36 1vee h ALA 91 Ca 0.01 -0.27 -0.27 0.00 0.00 0.00 0.00 54.91 54.38 1vee h ALA 91 Cb 0.43 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1vee h ALA 91 CO 0.03 0.61 -1.18 0.93 0.00 0.00 0.00 179.25 179.64 1vee h GLU 92 N 0.85 0.33 -0.04 0.00 5.08 -0.83 -3.24 114.58 116.74 1vee h GLU 92 Ca 0.16 -0.50 0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1vee h GLU 92 Cb 0.47 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 1vee h GLU 92 CO 0.02 1.21 -0.42 1.25 -1.00 0.00 0.00 179.01 180.07 1vee h LEU 93 N 0.12 -1.28 -0.73 1.33 5.85 -0.67 0.14 115.31 120.08 1vee h LEU 93 Ca -0.13 0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1vee h LEU 93 Cb 1.88 0.51 -0.03 0.00 0.37 0.00 0.00 40.66 43.38 1vee h LEU 93 CO 0.20 -0.45 0.30 -0.37 -0.34 0.00 0.00 178.44 177.79 1vee h VAL 94 N -0.55 1.25 -0.07 1.05 -1.51 -1.63 -1.35 116.25 113.44 1vee h VAL 94 Ca 0.06 -0.76 0.01 0.00 -1.23 0.00 0.00 66.70 64.77 1vee h VAL 94 Cb 0.64 0.39 -0.01 0.00 -2.13 0.00 0.00 31.29 30.18 1vee h VAL 94 CO -0.34 0.31 0.02 0.00 -1.23 0.00 0.00 177.57 176.33 1vee h ALA 95 N 1.15 0.07 -0.70 5.19 0.00 -1.42 0.67 119.26 124.22 1vee h ALA 95 Ca 0.24 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1vee h ALA 95 Cb 0.19 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1vee h ALA 95 CO -0.02 -0.46 0.27 -0.07 0.00 0.00 0.00 179.25 178.98 1vee h LEU 96 N 0.05 0.95 -0.06 0.00 4.07 -0.63 -2.77 115.31 116.92 1vee h LEU 96 Ca 0.03 -0.14 -0.00 0.00 0.08 0.00 0.00 57.88 57.85 1vee h LEU 96 Cb 0.02 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.51 1vee h LEU 96 CO -0.03 0.85 0.03 0.78 -1.08 0.00 0.00 178.44 178.98 1vee h ASN 97 N 1.01 0.07 0.00 -0.43 2.35 -0.75 -3.47 115.58 114.37 1vee h ASN 97 Ca 0.23 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1vee h ASN 97 Cb 0.20 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1vee h ASN 97 CO -0.02 0.15 0.00 0.61 -1.65 0.00 0.00 177.43 176.52 1vee n GLY 98 N -0.84 0.03 3.70 2.83 0.00 -0.37 -5.10 105.19 105.44 1vee n GLY 98 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 1.85 0.01 1.61 0.40 0.09 -3.58 117.98 118.35 1vee s PHE 99 Ca 0.00 1.67 -0.06 0.00 -0.60 0.00 0.00 56.93 57.95 1vee s PHE 99 Cb 0.00 -3.45 -0.03 0.00 0.51 0.00 0.00 43.02 40.05 1vee s PHE 99 CO 0.00 -2.77 1.09 -0.22 0.70 0.00 0.00 175.22 174.02 1vee h LYS 100 N -0.93 -0.19 -3.10 0.44 1.63 -1.36 -3.38 116.57 109.67 1vee h LYS 100 Ca -0.46 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.39 1vee h LYS 100 Cb 1.29 0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.91 1vee h LYS 100 CO 0.46 -0.13 0.18 -1.12 -3.45 0.00 0.00 179.45 175.40 1vee s SER 101 N -2.34 -0.19 0.17 4.20 0.01 -1.25 -4.91 113.70 109.38 1vee s SER 101 Ca -0.03 -0.73 -0.12 0.00 1.31 0.00 0.00 55.95 56.37 1vee s SER 101 Cb 0.00 0.73 0.01 0.00 0.21 0.00 0.00 66.02 66.97 1vee s SER 101 CO 0.09 -1.37 0.37 0.00 0.41 0.00 0.00 173.24 172.74 1vee s ALA 102 N -3.71 -0.40 -0.06 1.44 0.00 -1.26 -2.12 121.76 115.65 1vee s ALA 102 Ca 0.13 -0.58 -0.00 0.00 0.00 0.00 0.00 51.96 51.52 1vee s ALA 102 Cb -0.05 0.81 0.02 0.00 0.00 0.00 0.00 23.12 23.91 1vee s ALA 102 CO 0.08 -0.69 -0.02 0.71 0.00 0.00 0.00 175.76 175.84 1vee s TYR 103 N -3.91 0.70 -0.45 0.00 1.51 -1.21 -4.57 117.35 109.42 1vee s TYR 103 Ca 0.12 -0.19 -0.21 0.00 -1.01 0.00 0.00 57.07 55.78 1vee s TYR 103 Cb 0.02 -0.71 0.03 0.00 -0.11 0.00 0.00 41.96 41.18 1vee s TYR 103 CO -0.03 -0.25 0.69 0.00 -1.11 0.00 0.00 175.55 174.85 1vee s ALA 104 N 1.38 3.33 -0.91 3.71 0.00 -0.12 -0.64 121.76 128.49 1vee s ALA 104 Ca -0.04 -1.19 -0.24 0.00 0.00 0.00 0.00 51.96 50.49 1vee s ALA 104 Cb -0.13 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.63 1vee s ALA 104 CO -0.03 -1.86 1.59 0.42 0.00 0.00 0.00 175.76 175.89 1vee s ILE 105 N 2.98 3.72 0.15 0.00 1.09 -1.25 -3.52 121.20 124.36 1vee s ILE 105 Ca 0.24 -0.40 -0.34 0.00 -1.10 0.00 0.00 60.65 59.05 1vee s ILE 105 Cb -0.14 -4.66 -0.16 0.00 -1.06 0.00 0.00 42.46 36.44 1vee s ILE 105 CO 0.20 -1.57 1.19 1.17 -0.10 0.00 0.00 174.94 175.82 1vee n LYS 106 N 8.98 1.11 -0.25 2.79 3.00 -1.26 -1.51 118.16 131.02 1vee n LYS 106 Ca 0.30 0.40 0.00 0.00 -0.00 0.00 0.00 58.31 59.00 1vee n LYS 106 Cb 0.50 -1.92 0.00 0.00 0.00 0.00 0.00 35.03 33.61 1vee n LYS 106 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1vee n ASP 107 N 2.10 0.00 -0.33 3.14 9.92 -1.26 -4.58 116.55 125.54 1vee n ASP 107 Ca 0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 1vee n ASP 107 Cb 0.23 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.71 1vee n ASP 107 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vee n GLY 108 N -2.00 -0.41 0.05 0.44 0.00 -0.57 -1.84 105.19 100.87 1vee n GLY 108 Ca 0.00 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 1.09 3.04 0.34 4.61 0.00 -0.07 -2.88 120.51 126.63 1vee n ALA 109 Ca 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 53.44 53.21 1vee n ALA 109 Cb 0.00 -1.16 0.01 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.00 1.31 -0.82 0.00 1.02 -0.64 -3.42 120.64 116.09 1vee n GLU 110 Ca 0.04 -0.73 -0.30 0.00 -0.02 0.00 0.00 57.16 56.15 1vee n GLU 110 Cb 0.42 -1.07 0.25 0.00 -0.02 0.00 0.00 31.44 31.02 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 -0.94 1.52 0.59 0.62 0.00 -0.76 -4.81 107.32 103.54 1vee s GLY 111 Ca 0.08 -0.76 0.29 0.00 0.00 0.00 0.00 44.72 44.32 1vee s GLY 111 CO 0.15 0.12 2.08 -0.56 0.00 0.00 0.00 173.10 174.88 1vee h PRO 112 N -2.77 0.00 0.00 2.90 0.13 -1.95 -1.79 132.00 128.51 1vee h PRO 112 Ca -0.48 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 1vee h PRO 112 Cb 1.32 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.20 1vee h PRO 112 CO 0.37 0.00 -0.82 2.89 -0.23 0.00 0.00 178.00 180.21 1vee n ARG 113 N -3.77 0.40 -0.15 0.86 1.85 -1.26 -4.82 116.66 109.78 1vee n ARG 113 Ca 0.02 -2.20 -0.05 0.00 -1.00 0.00 0.00 57.85 54.62 1vee n ARG 113 Cb 0.36 -0.47 0.05 0.00 -1.05 0.00 0.00 32.46 31.35 1vee n ARG 113 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1vee n GLY 114 N 0.01 -2.85 0.36 2.89 0.00 -0.68 -4.56 105.19 100.37 1vee n GLY 114 Ca 0.09 -1.40 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 1vee n GLY 114 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1vee h TRP 115 N -1.88 -1.03 0.07 1.61 2.91 -1.55 -2.32 115.95 113.76 1vee h TRP 115 Ca -0.07 0.07 -0.00 0.00 1.13 0.00 0.00 58.89 60.01 1vee h TRP 115 Cb 0.23 0.52 0.00 0.00 -0.51 0.00 0.00 29.16 29.40 1vee h TRP 115 CO 0.00 -0.40 -0.04 -0.07 -1.03 0.00 0.00 178.44 176.90 1vee h LEU 116 N -0.26 -0.08 -1.50 0.65 3.38 -1.84 -2.82 115.31 112.84 1vee h LEU 116 Ca 0.18 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1vee h LEU 116 Cb 0.56 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1vee h LEU 116 CO -0.59 -0.01 0.00 0.59 0.09 0.00 0.00 178.44 178.53 1vee n ASN 117 N -5.11 1.51 -0.06 -0.43 3.02 -0.94 -2.48 115.26 110.77 1vee n ASN 117 Ca -0.08 -1.51 0.01 0.00 -0.03 0.00 0.00 54.58 52.97 1vee n ASN 117 Cb 0.09 -0.38 0.02 0.00 -0.61 0.00 0.00 39.78 38.90 1vee n ASN 117 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1vee n SER 118 N 0.37 1.11 -1.04 6.41 7.64 -0.92 -4.50 113.62 122.69 1vee n SER 118 Ca 0.00 -1.77 -0.14 0.00 1.01 0.00 0.00 58.87 57.98 1vee n SER 118 Cb 0.28 -0.07 -0.06 0.00 -1.01 0.00 0.00 64.21 63.35 1vee n SER 118 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1vee n SER 119 N -0.38 -5.03 -4.83 6.43 2.88 -1.04 -4.82 113.62 106.83 1vee n SER 119 Ca 0.02 0.34 -0.33 0.00 -1.33 0.00 0.00 58.87 57.57 1vee n SER 119 Cb 0.44 -3.72 -0.07 0.00 -0.75 0.00 0.00 64.21 60.11 1vee n SER 119 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1vee s LEU 120 N -3.08 3.99 0.60 2.46 1.43 -1.20 -5.05 118.68 117.83 1vee s LEU 120 Ca 0.00 1.52 -0.16 0.00 -1.03 0.00 0.00 54.13 54.46 1vee s LEU 120 Cb 0.00 -4.34 -0.03 0.00 0.03 0.00 0.00 46.19 41.84 1vee s LEU 120 CO 0.00 -0.29 1.06 -2.16 0.23 0.00 0.00 176.35 175.19 1vee s PRO 121 N -3.09 3.25 0.09 1.29 0.04 -1.26 -4.71 135.00 130.61 1vee s PRO 121 Ca 0.59 1.23 -0.19 0.00 0.04 0.00 0.00 61.00 62.67 1vee s PRO 121 Cb -0.10 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.47 1vee s PRO 121 CO 0.15 -0.87 0.46 -0.46 0.04 0.00 0.00 177.00 176.32 1vee s TRP 122 N -2.43 -0.32 -0.76 0.56 -0.11 -1.26 -4.06 118.94 110.55 1vee s TRP 122 Ca 0.64 0.19 -0.06 0.00 1.22 0.00 0.00 56.10 58.09 1vee s TRP 122 Cb -0.17 0.31 0.20 0.00 -1.50 0.00 0.00 33.47 32.31 1vee s TRP 122 CO 0.37 -0.68 0.63 0.42 -4.62 0.00 0.00 176.95 173.08 1vee s ILE 123 N -3.11 4.51 0.66 5.86 1.01 0.29 -4.77 121.20 125.65 1vee s ILE 123 Ca -0.01 -3.00 -0.14 0.00 0.00 0.00 0.00 60.65 57.49 1vee s ILE 123 Cb 0.00 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1vee s ILE 123 CO -0.07 -0.98 1.09 -1.61 0.00 0.00 0.00 174.94 173.37 1vee s GLU 124 N -0.29 2.86 0.35 2.79 2.02 -1.26 -1.02 118.70 124.15 1vee s GLU 124 Ca 0.20 1.26 -0.06 0.00 0.02 0.00 0.00 54.97 56.39 1vee s GLU 124 Cb -0.15 -1.97 0.08 0.00 0.10 0.00 0.00 34.13 32.20 1vee s GLU 124 CO -0.07 -1.19 0.48 -0.35 0.02 0.00 0.00 175.26 174.16 1vee n PRO 125 N -2.56 -0.43 -2.01 0.39 -0.04 -1.26 -4.89 135.00 124.20 1vee n PRO 125 Ca 0.09 -0.77 -0.40 0.00 -0.04 0.00 0.00 63.50 62.39 1vee n PRO 125 Cb 0.52 -0.49 -0.03 0.00 -0.04 0.00 0.00 33.50 33.47 1vee n PRO 125 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1vee s LYS 126 N -4.02 2.86 0.70 0.54 1.02 -1.26 -4.97 119.74 114.60 1vee s LYS 126 Ca 0.27 0.93 -0.11 0.00 0.02 0.00 0.00 55.97 57.08 1vee s LYS 126 Cb -0.01 -4.33 0.01 0.00 -0.52 0.00 0.00 37.83 32.99 1vee s LYS 126 CO 0.19 -2.44 1.07 0.15 -0.92 0.00 0.00 175.35 173.40 1vee s LYS 127 N 6.60 2.93 0.07 1.68 1.02 -1.26 -5.09 119.74 125.69 1vee s LYS 127 Ca 0.73 0.67 0.05 0.00 0.02 0.00 0.00 55.97 57.44 1vee s LYS 127 Cb -0.16 -2.01 -0.03 0.00 -0.52 0.00 0.00 37.83 35.11 1vee s LYS 127 CO 0.26 -1.03 -0.15 0.99 -0.92 0.00 0.00 175.35 174.50 1vee s THR 128 N -3.21 1.16 -0.37 2.17 2.01 -1.26 -5.09 115.64 111.04 1vee s THR 128 Ca 0.58 -1.32 -0.29 0.00 0.31 0.00 0.00 61.69 60.98 1vee s THR 128 Cb -0.12 -1.11 -0.00 0.00 0.01 0.00 0.00 72.50 71.28 1vee s THR 128 CO 0.53 -0.21 1.54 -0.44 -0.69 0.00 0.00 174.62 175.36 1vee s SER 129 N -1.74 6.20 -0.30 3.53 0.01 -1.26 -4.91 113.70 115.24 1vee s SER 129 Ca -0.01 1.02 -0.03 0.00 1.31 0.00 0.00 55.95 58.24 1vee s SER 129 Cb -0.10 -2.54 0.19 0.00 0.21 0.00 0.00 66.02 63.79 1vee s SER 129 CO 0.02 -1.51 0.76 -0.83 0.41 0.00 0.00 173.24 172.10 1vee s GLY 130 N 4.62 -0.94 0.80 3.44 0.00 -1.26 -5.17 107.32 108.80 1vee s GLY 130 Ca 0.68 1.84 -0.12 0.00 0.00 0.00 0.00 44.72 47.12 1vee s GLY 130 CO 0.33 3.67 1.10 2.56 0.00 0.00 0.00 173.10 180.76 1vee s PRO 131 N 2.89 2.09 0.00 2.90 0.04 -1.26 -5.02 135.00 136.64 1vee s PRO 131 Ca 0.14 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1vee s PRO 131 Cb -0.10 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1vee s PRO 131 CO -0.21 -1.61 0.00 -1.13 0.04 0.00 0.00 177.00 174.10 1vee n SER 132 N -3.41 0.00 -2.68 6.66 3.41 -1.26 -5.12 113.62 111.22 1vee n SER 132 Ca 0.07 -0.84 -0.10 0.00 -0.26 0.00 0.00 58.87 57.73 1vee n SER 132 Cb 0.57 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.59 1vee n SER 132 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1vee n SER 133 N 0.00 0.04 0.00 4.04 2.88 -1.26 -5.40 113.62 113.92 1vee n SER 133 Ca 0.00 -1.17 0.00 0.00 -1.33 0.00 0.00 58.87 56.37 1vee n SER 133 Cb 0.21 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 1vee n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42