#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yuu s ALA 2 N 0.00 1.53 -0.37 3.04 0.00 -1.26 -4.59 121.76 120.12 1yuu s ALA 2 Ca 0.00 0.24 -0.14 0.00 0.00 0.00 0.00 51.96 52.06 1yuu s ALA 2 Cb 0.00 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.83 1yuu s ALA 2 CO 0.00 -2.45 0.51 0.00 0.00 0.00 0.00 175.76 173.82 1yuu n ALA 3 N -3.99 -3.02 -2.62 0.00 0.00 -1.26 -4.97 120.51 104.66 1yuu n ALA 3 Ca 0.09 1.02 -0.43 0.00 0.00 0.00 0.00 53.44 54.12 1yuu n ALA 3 Cb 0.53 -3.26 -0.03 0.00 0.00 0.00 0.00 19.45 16.70 1yuu n ALA 3 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1yuu s GLU 4 N -2.38 3.93 -0.77 0.00 2.56 -1.26 -4.99 118.70 115.80 1yuu s GLU 4 Ca 0.21 0.82 -0.27 0.00 0.00 0.00 0.00 54.97 55.74 1yuu s GLU 4 Cb -0.06 -3.79 0.03 0.00 2.00 0.00 0.00 34.13 32.31 1yuu s GLU 4 CO 0.66 -1.02 1.33 -1.25 -0.56 0.00 0.00 175.26 174.41 1yuu s PRO 5 N 3.77 3.21 1.03 4.30 0.04 -1.26 -5.01 135.00 141.08 1yuu s PRO 5 Ca 0.44 -0.30 -0.17 0.00 0.04 0.00 0.00 61.00 61.01 1yuu s PRO 5 Cb -0.11 -4.32 0.22 0.00 0.04 0.00 0.00 34.50 30.33 1yuu s PRO 5 CO 0.20 -2.19 1.25 -0.48 0.04 0.00 0.00 177.00 175.82 1yuu s LEU 6 N 5.82 2.05 0.56 -3.56 0.05 -1.26 -4.99 118.68 117.34 1yuu s LEU 6 Ca 0.38 0.42 -0.21 0.00 0.05 0.00 0.00 54.13 54.77 1yuu s LEU 6 Cb -0.07 -2.38 -0.05 0.00 -2.05 0.00 0.00 46.19 41.63 1yuu s LEU 6 CO 0.12 -3.15 1.23 0.41 -0.55 0.00 0.00 176.35 174.42 1yuu n THR 7 N -4.07 3.78 -0.10 5.48 -1.04 -1.26 -4.72 114.28 112.35 1yuu n THR 7 Ca 0.14 -0.50 -0.06 0.00 -2.04 0.00 0.00 64.05 61.59 1yuu n THR 7 Cb 0.59 -1.49 0.01 0.00 -1.82 0.00 0.00 70.33 67.63 1yuu n THR 7 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1yuu h GLU 8 N 1.15 0.06 -1.00 -2.82 4.81 -1.99 0.21 114.58 115.00 1yuu h GLU 8 Ca -0.50 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.76 1yuu h GLU 8 Cb 1.32 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 1yuu h GLU 8 CO 0.55 0.04 0.66 -0.07 -0.73 0.00 0.00 179.01 179.46 1yuu h LEU 9 N 0.06 1.11 -0.26 1.64 3.38 -1.99 -1.27 115.31 117.98 1yuu h LEU 9 Ca 0.17 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.17 1yuu h LEU 9 Cb 0.24 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1yuu h LEU 9 CO -0.31 0.78 -0.08 -0.33 0.09 0.00 0.00 178.44 178.59 1yuu h GLU 10 N 1.30 -0.03 -0.30 1.13 5.08 -1.40 0.27 114.58 120.64 1yuu h GLU 10 Ca 0.38 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.82 1yuu h GLU 10 Cb -0.06 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.11 1yuu h GLU 10 CO -0.11 -0.02 -0.26 0.93 -1.00 0.00 0.00 179.01 178.56 1yuu h GLU 11 N -0.03 -0.23 -0.36 2.33 4.39 -0.07 0.34 114.58 120.95 1yuu h GLU 11 Ca 0.13 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.77 1yuu h GLU 11 Cb 0.23 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1yuu h GLU 11 CO -0.29 -0.15 -0.07 0.66 -1.16 0.00 0.00 179.01 178.00 1yuu h SER 12 N -0.24 0.68 -0.78 1.42 4.64 -0.88 0.67 113.55 119.06 1yuu h SER 12 Ca 0.15 -0.35 -0.03 0.00 -0.47 0.00 0.00 61.79 61.10 1yuu h SER 12 Cb 0.48 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.35 1yuu h SER 12 CO -0.44 0.87 0.39 0.16 -0.87 0.00 0.00 176.83 176.94 1yuu h ILE 13 N 0.48 1.24 -0.32 0.95 -0.00 -0.73 -1.70 117.51 117.43 1yuu h ILE 13 Ca 0.09 -0.67 0.02 0.00 -0.00 0.00 0.00 64.86 64.31 1yuu h ILE 13 Cb 0.56 0.25 -0.03 0.00 -0.00 0.00 0.00 36.82 37.60 1yuu h ILE 13 CO 0.03 0.29 0.15 -0.08 -0.00 0.00 0.00 178.15 178.54 1yuu h GLU 14 N 1.10 0.31 -0.56 0.16 4.81 -0.62 0.14 114.58 119.92 1yuu h GLU 14 Ca 0.27 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1yuu h GLU 14 Cb 0.10 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1yuu h GLU 14 CO -0.04 0.20 0.37 0.00 -0.73 0.00 0.00 179.01 178.82 1yuu h THR 15 N 0.32 1.11 0.23 0.32 1.03 -0.21 0.17 112.91 115.89 1yuu h THR 15 Ca 0.13 -0.24 -0.33 0.00 -0.01 0.00 0.00 66.41 65.96 1yuu h THR 15 Cb 0.05 0.34 0.03 0.00 -1.07 0.00 0.00 68.15 67.50 1yuu h THR 15 CO -0.10 0.13 -1.44 -0.37 -0.01 0.00 0.00 175.52 173.73 1yuu h VAL 16 N 0.71 1.32 -0.64 0.00 -1.51 -1.12 -3.18 116.25 111.83 1yuu h VAL 16 Ca 0.21 -2.78 0.04 0.00 -1.23 0.00 0.00 66.70 62.94 1yuu h VAL 16 Cb -0.01 3.02 -0.05 0.00 -2.13 0.00 0.00 31.29 32.12 1yuu h VAL 16 CO -0.05 0.83 0.38 0.58 -1.23 0.00 0.00 177.57 178.07 1yuu h VAL 17 N 0.13 1.03 -0.31 7.19 2.07 0.28 0.12 116.25 126.76 1yuu h VAL 17 Ca -0.23 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1yuu h VAL 17 Cb 2.13 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1yuu h VAL 17 CO 0.26 0.13 0.18 0.00 0.02 0.00 0.00 177.57 178.16 1yuu h THR 18 N 0.72 1.12 -0.17 2.57 1.03 -0.82 0.15 112.91 117.51 1yuu h THR 18 Ca 0.27 -0.28 0.03 0.00 -0.01 0.00 0.00 66.41 66.42 1yuu h THR 18 Cb 0.08 0.74 -0.03 0.00 -1.07 0.00 0.00 68.15 67.87 1yuu h THR 18 CO -0.13 0.11 -0.03 0.74 -0.01 0.00 0.00 175.52 176.20 1yuu h THR 19 N 0.40 0.84 -0.31 0.00 2.02 -1.38 0.97 112.91 115.44 1yuu h THR 19 Ca 0.11 -0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.34 1yuu h THR 19 Cb 0.03 0.82 -0.08 0.00 -1.74 0.00 0.00 68.15 67.18 1yuu h THR 19 CO -0.02 0.00 -0.45 0.15 0.37 0.00 0.00 175.52 175.57 1yuu h PHE 20 N 0.01 -1.31 -0.17 3.16 3.57 -0.52 -2.47 116.94 119.21 1yuu h PHE 20 Ca 0.08 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1yuu h PHE 20 Cb 0.12 0.62 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 1yuu h PHE 20 CO -0.19 -0.46 -0.04 0.35 -2.23 0.00 0.00 178.31 175.74 1yuu h PHE 21 N -0.40 0.37 -0.28 0.41 3.57 0.14 0.29 116.94 121.04 1yuu h PHE 21 Ca 0.11 -0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.61 1yuu h PHE 21 Cb 0.61 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1yuu h PHE 21 CO -0.59 0.59 0.23 1.79 -2.23 0.00 0.00 178.31 178.10 1yuu h THR 22 N 0.05 0.71 0.12 4.41 1.35 -0.84 -0.25 112.91 118.45 1yuu h THR 22 Ca 0.04 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.90 1yuu h THR 22 Cb 0.47 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1yuu h THR 22 CO 0.02 0.00 -0.06 -0.26 -0.25 0.00 0.00 175.52 174.97 1yuu h PHE 23 N 0.00 -0.15 -0.37 4.73 0.04 -0.90 -3.39 116.94 116.91 1yuu h PHE 23 Ca 0.13 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 61.01 1yuu h PHE 23 Cb 0.59 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.78 1yuu h PHE 23 CO 0.00 0.28 0.30 0.00 -0.60 0.00 0.00 178.31 178.29 1yuu h ALA 24 N -0.45 2.22 0.00 2.45 0.00 0.12 0.33 119.26 123.93 1yuu h ALA 24 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1yuu h ALA 24 Cb 0.50 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1yuu h ALA 24 CO 0.03 -0.49 0.00 0.07 0.00 0.00 0.00 179.25 178.86 1yuu h ARG 25 N 0.00 0.00 -0.01 0.00 -0.00 -1.31 -3.26 114.38 109.80 1yuu h ARG 25 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.16 1yuu h ARG 25 Cb 0.77 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.73 1yuu h ARG 25 CO -0.00 0.00 -0.11 1.96 -0.00 0.00 0.00 179.97 181.82 1yuu h GLN 26 N 0.00 -0.13 -6.08 0.08 7.50 -1.13 -3.45 115.11 111.90 1yuu h GLN 26 Ca 0.00 0.01 -0.53 0.00 0.50 0.00 0.00 58.65 58.63 1yuu h GLN 26 Cb 0.67 0.03 -0.04 0.00 0.05 0.00 0.00 27.48 28.19 1yuu h GLN 26 CO 0.00 -0.09 -0.36 -1.21 -1.50 0.00 0.00 178.83 175.67 1yuu s GLU 27 N -3.57 2.40 0.00 1.46 2.02 -1.26 -5.03 118.70 114.72 1yuu s GLU 27 Ca -0.03 -1.72 0.00 0.00 0.02 0.00 0.00 54.97 53.24 1yuu s GLU 27 Cb 0.01 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.99 1yuu s GLU 27 CO 0.13 -0.33 0.00 0.41 0.02 0.00 0.00 175.26 175.49 1yuu n GLY 28 N -1.59 0.00 2.17 -1.39 0.00 -1.26 -4.42 105.19 98.70 1yuu n GLY 28 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 1yuu n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yuu n ARG 29 N 0.00 -4.10 -0.35 1.61 3.00 -1.26 -4.50 116.66 111.05 1yuu n ARG 29 Ca 0.00 3.09 -0.10 0.00 -0.01 0.00 0.00 57.85 60.83 1yuu n ARG 29 Cb 0.00 -4.03 -0.01 0.00 0.00 0.00 0.00 32.46 28.42 1yuu n ARG 29 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1yuu n LYS 30 N 1.46 0.98 0.00 5.56 2.85 -1.23 -2.55 118.16 125.23 1yuu n LYS 30 Ca -0.09 -0.89 0.00 0.00 -1.05 0.00 0.00 58.31 56.27 1yuu n LYS 30 Cb 0.14 -2.15 0.00 0.00 -0.65 0.00 0.00 35.03 32.37 1yuu n LYS 30 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1yuu n ASP 31 N 4.40 0.00 -4.72 -5.58 -0.08 -1.26 -4.85 116.55 104.46 1yuu n ASP 31 Ca 0.21 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 53.12 1yuu n ASP 31 Cb 0.09 0.27 -0.07 0.00 2.34 0.00 0.00 41.12 43.74 1yuu n ASP 31 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1yuu s SER 32 N -1.79 6.43 0.09 1.67 1.04 -1.06 -0.70 113.70 119.38 1yuu s SER 32 Ca 0.00 0.51 -0.26 0.00 0.48 0.00 0.00 55.95 56.68 1yuu s SER 32 Cb 0.00 -2.19 -0.06 0.00 0.10 0.00 0.00 66.02 63.87 1yuu s SER 32 CO 0.00 0.07 0.79 -0.76 0.98 0.00 0.00 173.24 174.31 1yuu s LEU 33 N 0.62 4.50 0.82 2.42 1.02 0.57 -4.65 118.68 123.98 1yuu s LEU 33 Ca 0.17 1.54 -0.12 0.00 0.02 0.00 0.00 54.13 55.74 1yuu s LEU 33 Cb -0.13 -3.28 0.09 0.00 0.02 0.00 0.00 46.19 42.89 1yuu s LEU 33 CO 0.05 0.07 1.19 -0.55 0.02 0.00 0.00 176.35 177.12 1yuu s SER 34 N -0.39 4.36 0.24 2.29 0.15 -1.26 -0.46 113.70 118.63 1yuu s SER 34 Ca 0.38 0.71 -0.07 0.00 0.70 0.00 0.00 55.95 57.67 1yuu s SER 34 Cb -0.22 -1.15 0.26 0.00 -1.71 0.00 0.00 66.02 63.20 1yuu s SER 34 CO 0.25 -1.99 1.89 1.62 1.20 0.00 0.00 173.24 176.21 1yuu h VAL 35 N -1.11 1.16 0.67 4.45 3.04 -1.99 0.71 116.25 123.19 1yuu h VAL 35 Ca -0.46 -0.39 -0.03 0.00 -1.01 0.00 0.00 66.70 64.81 1yuu h VAL 35 Cb 1.32 -0.06 0.01 0.00 -2.01 0.00 0.00 31.29 30.54 1yuu h VAL 35 CO 0.63 0.21 -0.32 -1.13 -1.01 0.00 0.00 177.57 175.94 1yuu h ASN 36 N 1.13 -0.76 -0.88 3.17 -1.24 -1.96 0.21 115.58 115.25 1yuu h ASN 36 Ca 0.35 0.01 0.14 0.00 0.71 0.00 0.00 56.30 57.50 1yuu h ASN 36 Cb -0.03 0.20 -0.14 0.00 0.73 0.00 0.00 38.32 39.08 1yuu h ASN 36 CO -0.11 -0.38 -0.34 -0.62 -1.29 0.00 0.00 177.43 174.69 1yuu n GLU 37 N -5.38 -0.21 0.13 6.67 1.02 -1.18 -0.58 120.64 121.12 1yuu n GLU 37 Ca -0.11 1.35 -0.14 0.00 -0.02 0.00 0.00 57.16 58.24 1yuu n GLU 37 Cb 0.36 -2.00 -0.07 0.00 -0.02 0.00 0.00 31.44 29.71 1yuu n GLU 37 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1yuu h PHE 38 N 0.00 -0.24 -0.94 -0.32 3.57 -0.73 -2.92 116.94 115.36 1yuu h PHE 38 Ca 0.30 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.87 1yuu h PHE 38 Cb 0.52 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.28 1yuu h PHE 38 CO -0.77 -0.15 0.61 -0.22 -2.23 0.00 0.00 178.31 175.55 1yuu h LYS 39 N -0.26 1.01 0.00 1.11 3.64 0.19 -0.37 116.57 121.90 1yuu h LYS 39 Ca -0.02 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1yuu h LYS 39 Cb 0.20 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1yuu h LYS 39 CO 0.04 0.67 0.00 0.93 -2.27 0.00 0.00 179.45 178.81 1yuu h GLU 40 N 1.04 0.00 0.55 1.90 4.39 -0.71 0.12 114.58 121.87 1yuu h GLU 40 Ca 0.41 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.09 1yuu h GLU 40 Cb 0.25 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1yuu h GLU 40 CO -0.17 0.00 -0.26 1.25 -1.16 0.00 0.00 179.01 178.67 1yuu h LEU 41 N 0.00 -0.62 -0.18 1.33 7.12 -0.94 -0.55 115.31 121.47 1yuu h LEU 41 Ca 0.00 -0.01 -0.11 0.00 0.13 0.00 0.00 57.88 57.89 1yuu h LEU 41 Cb 0.32 0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.61 1yuu h LEU 41 CO 0.00 -0.39 -0.30 -0.37 -0.13 0.00 0.00 178.44 177.25 1yuu h VAL 42 N -0.81 1.34 -0.37 1.05 -1.51 -1.30 0.20 116.25 114.85 1yuu h VAL 42 Ca -0.08 -1.53 -0.11 0.00 -1.23 0.00 0.00 66.70 63.76 1yuu h VAL 42 Cb 0.60 1.89 -0.01 0.00 -2.13 0.00 0.00 31.29 31.63 1yuu h VAL 42 CO 0.12 0.46 -0.18 0.74 -1.23 0.00 0.00 177.57 177.48 1yuu h THR 43 N 0.17 1.28 0.02 7.19 2.02 -0.89 -1.42 112.91 121.28 1yuu h THR 43 Ca 0.01 -1.31 -0.00 0.00 0.77 0.00 0.00 66.41 65.88 1yuu h THR 43 Cb 0.88 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1yuu h THR 43 CO 0.07 0.43 -0.01 -0.61 0.37 0.00 0.00 175.52 175.77 1yuu h GLN 44 N 0.58 -0.02 -1.27 6.66 4.15 -1.08 -3.44 115.11 120.69 1yuu h GLN 44 Ca 0.08 0.00 -0.39 0.00 0.77 0.00 0.00 58.65 59.11 1yuu h GLN 44 Cb 0.73 0.00 -0.27 0.00 0.21 0.00 0.00 27.48 28.15 1yuu h GLN 44 CO 0.06 0.72 -0.79 1.04 -1.93 0.00 0.00 178.83 177.92 1yuu n GLN 45 N -4.73 0.62 -2.70 1.69 6.02 0.05 -4.91 117.38 113.42 1yuu n GLN 45 Ca -0.09 -2.56 -0.05 0.00 -0.01 0.00 0.00 57.00 54.30 1yuu n GLN 45 Cb 0.36 -1.41 0.10 0.00 1.02 0.00 0.00 30.24 30.31 1yuu n GLN 45 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1yuu n LEU 46 N 1.96 -0.86 0.00 1.08 7.94 -0.54 -4.69 117.00 121.90 1yuu n LEU 46 Ca 0.18 -3.38 0.00 0.00 -1.11 0.00 0.00 56.01 51.71 1yuu n LEU 46 Cb 0.56 0.16 0.00 0.00 0.53 0.00 0.00 43.42 44.66 1yuu n LEU 46 CO 0.09 1.69 0.34 -0.81 -1.11 0.00 0.00 177.39 177.59 1yuu n PRO 47 N -0.81 0.00 0.28 1.96 -0.04 -1.26 -1.94 135.00 133.18 1yuu n PRO 47 Ca -0.05 0.27 0.14 0.00 -0.04 0.00 0.00 63.50 63.83 1yuu n PRO 47 Cb 0.85 -1.21 0.80 0.00 -0.04 0.00 0.00 33.50 33.91 1yuu n PRO 47 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1yuu h HIS 48 N 0.00 0.00 0.00 0.54 2.76 -1.97 -1.81 115.15 114.67 1yuu h HIS 48 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1yuu h HIS 48 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1yuu h HIS 48 CO 0.11 0.08 0.00 -0.11 -1.30 0.00 0.00 177.93 176.71 1yuu n LEU 49 N -3.63 1.16 -3.78 0.26 7.94 -1.24 -4.30 117.00 113.40 1yuu n LEU 49 Ca -0.02 0.37 -0.42 0.00 -1.11 0.00 0.00 56.01 54.83 1yuu n LEU 49 Cb 0.19 -0.23 0.01 0.00 0.53 0.00 0.00 43.42 43.92 1yuu n LEU 49 CO 0.29 -0.23 1.64 0.18 -1.11 0.00 0.00 177.39 178.16 1yuu n LEU 50 N -1.19 7.02 -0.03 -1.96 4.77 -0.82 -4.76 117.00 120.04 1yuu n LEU 50 Ca 0.00 -5.07 0.19 0.00 -0.03 0.00 0.00 56.01 51.11 1yuu n LEU 50 Cb 0.00 -1.31 0.66 0.00 -2.33 0.00 0.00 43.42 40.44 1yuu n LEU 50 CO 0.00 1.78 1.19 0.07 -1.33 0.00 0.00 177.39 179.10 1yuu h LYS 51 N 5.05 0.07 -4.61 3.23 -0.00 -1.51 -2.15 116.57 116.66 1yuu h LYS 51 Ca 0.42 -0.00 -0.62 0.00 -0.00 0.00 0.00 60.65 60.44 1yuu h LYS 51 Cb 0.49 -0.02 0.01 0.00 -0.00 0.00 0.00 32.23 32.71 1yuu h LYS 51 CO 1.40 0.05 2.32 -3.47 -0.00 0.00 0.00 179.45 179.74 1yuu n ASP 52 N -4.40 3.09 0.00 7.07 2.03 -1.26 -4.40 116.55 118.69 1yuu n ASP 52 Ca 0.10 -2.74 0.13 0.00 0.52 0.00 0.00 54.79 52.80 1yuu n ASP 52 Cb 0.59 -1.38 0.63 0.00 -0.72 0.00 0.00 41.12 40.24 1yuu n ASP 52 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1yuu n VAL 53 N 6.07 0.19 -0.00 5.18 0.31 -0.81 -4.30 118.33 124.97 1yuu n VAL 53 Ca 0.49 0.05 -0.00 0.00 -0.01 0.00 0.00 64.34 64.87 1yuu n VAL 53 Cb 0.41 -0.62 -0.00 0.00 -0.91 0.00 0.00 33.84 32.72 1yuu n VAL 53 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1yuu h GLY 54 N 4.28 0.00 -4.31 2.92 0.00 -1.89 -3.40 103.07 100.67 1yuu h GLY 54 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 1yuu h GLY 54 CO 0.00 0.00 0.84 1.44 0.00 0.00 0.00 176.54 178.82 1yuu n SER 55 N -2.24 6.12 0.22 0.19 7.64 -1.26 -4.61 113.62 119.68 1yuu n SER 55 Ca -0.00 -2.49 0.17 0.00 1.01 0.00 0.00 58.87 57.56 1yuu n SER 55 Cb 0.01 -1.43 0.84 0.00 -1.01 0.00 0.00 64.21 62.62 1yuu n SER 55 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1yuu h LEU 56 N 5.61 0.00 -0.93 -3.43 7.12 -1.78 -0.35 115.31 121.55 1yuu h LEU 56 Ca 0.38 0.00 0.26 0.00 0.13 0.00 0.00 57.88 58.65 1yuu h LEU 56 Cb 1.13 0.00 -0.17 0.00 -0.53 0.00 0.00 40.66 41.10 1yuu h LEU 56 CO 0.68 0.00 0.11 0.44 -0.13 0.00 0.00 178.44 179.55 1yuu h ASP 57 N 0.00 -0.29 -0.62 1.25 5.19 -1.95 0.17 116.42 120.17 1yuu h ASP 57 Ca 0.07 0.25 0.11 0.00 -0.62 0.00 0.00 57.03 56.84 1yuu h ASP 57 Cb 0.41 0.40 -0.12 0.00 0.18 0.00 0.00 39.33 40.20 1yuu h ASP 57 CO -0.00 -0.29 -0.28 -0.08 -3.12 0.00 0.00 179.24 175.46 1yuu h GLU 58 N 0.07 -0.11 0.18 3.56 4.81 -1.46 0.14 114.58 121.77 1yuu h GLU 58 Ca 0.58 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.81 1yuu h GLU 58 Cb 1.22 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1yuu h GLU 58 CO -0.82 -0.07 -0.09 0.87 -0.73 0.00 0.00 179.01 178.18 1yuu h LYS 59 N -0.12 -0.23 -0.42 1.92 6.56 -1.02 -3.08 116.57 120.18 1yuu h LYS 59 Ca 0.26 0.02 0.08 0.00 -1.06 0.00 0.00 60.65 59.95 1yuu h LYS 59 Cb 0.54 0.05 -0.09 0.00 -0.57 0.00 0.00 32.23 32.16 1yuu h LYS 59 CO -0.69 -0.15 -0.37 1.98 -2.06 0.00 0.00 179.45 178.16 1yuu h MET 60 N -0.74 -0.27 0.00 3.15 4.05 -0.62 0.43 114.93 120.93 1yuu h MET 60 Ca -0.02 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1yuu h MET 60 Cb 0.18 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 1yuu h MET 60 CO 0.04 -0.18 0.00 -0.22 0.23 0.00 0.00 176.91 176.78 1yuu h LYS 61 N -0.28 0.00 0.18 0.39 3.64 -0.88 0.88 116.57 120.51 1yuu h LYS 61 Ca 0.16 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.22 1yuu h LYS 61 Cb 0.56 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1yuu h LYS 61 CO -0.57 0.00 -1.55 0.77 -2.27 0.00 0.00 179.45 175.84 1yuu h SER 62 N 0.00 0.60 0.06 4.20 0.02 -0.94 -3.41 113.55 114.08 1yuu h SER 62 Ca 0.00 -0.75 -0.00 0.00 -0.84 0.00 0.00 61.79 60.19 1yuu h SER 62 Cb 0.63 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1yuu h SER 62 CO 0.00 1.62 -0.03 -0.07 -1.14 0.00 0.00 176.83 177.21 1yuu h LEU 63 N 0.10 -0.07 -6.89 5.07 3.38 0.87 -3.31 115.31 114.46 1yuu h LEU 63 Ca -0.26 -0.40 -0.59 0.00 0.09 0.00 0.00 57.88 56.72 1yuu h LEU 63 Cb 2.08 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.85 1yuu h LEU 63 CO 0.21 0.38 2.13 -0.67 0.09 0.00 0.00 178.44 180.58 1yuu n ASP 64 N -4.92 3.10 -0.34 -0.43 2.03 0.20 -4.73 116.55 111.46 1yuu n ASP 64 Ca -0.08 -2.73 0.09 0.00 0.52 0.00 0.00 54.79 52.59 1yuu n ASP 64 Cb 0.24 -1.41 0.26 0.00 -0.72 0.00 0.00 41.12 39.50 1yuu n ASP 64 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1yuu h VAL 65 N 4.91 0.78 -0.01 5.18 -1.51 -1.85 0.19 116.25 123.93 1yuu h VAL 65 Ca 0.40 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.60 1yuu h VAL 65 Cb 0.75 -0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.83 1yuu h VAL 65 CO 1.73 0.14 -0.13 -0.46 -1.23 0.00 0.00 177.57 177.63 1yuu n ASN 66 N -4.76 1.10 -3.42 4.19 6.94 -1.26 -4.98 115.26 113.07 1yuu n ASN 66 Ca 0.20 -1.09 -0.18 0.00 -0.02 0.00 0.00 54.58 53.48 1yuu n ASN 66 Cb 0.46 0.05 0.07 0.00 -2.36 0.00 0.00 39.78 38.00 1yuu n ASN 66 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 1yuu n GLN 67 N -0.38 -4.03 0.00 -3.83 7.27 0.66 -4.93 117.38 112.14 1yuu n GLN 67 Ca 0.16 0.78 0.07 0.00 0.07 0.00 0.00 57.00 58.08 1yuu n GLN 67 Cb 0.33 -5.58 0.02 0.00 2.41 0.00 0.00 30.24 27.42 1yuu n GLN 67 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1yuu n ASP 68 N -3.12 1.64 0.00 1.69 5.68 -1.26 -5.00 116.55 116.19 1yuu n ASP 68 Ca -0.18 -1.32 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 1yuu n ASP 68 Cb 0.64 0.32 0.00 0.00 -1.14 0.00 0.00 41.12 40.95 1yuu n ASP 68 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1yuu n SER 69 N 0.11 -0.01 -4.48 -1.12 7.64 -1.26 -5.02 113.62 109.47 1yuu n SER 69 Ca 0.06 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.61 1yuu n SER 69 Cb 0.30 -0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.37 1yuu n SER 69 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1yuu s GLU 70 N -0.02 3.49 -0.92 1.43 2.02 -1.26 -4.31 118.70 119.13 1yuu s GLU 70 Ca 0.00 -0.56 -0.20 0.00 0.02 0.00 0.00 54.97 54.23 1yuu s GLU 70 Cb 0.00 -2.81 0.11 0.00 0.10 0.00 0.00 34.13 31.54 1yuu s GLU 70 CO 0.00 0.29 1.16 -0.51 0.02 0.00 0.00 175.26 176.22 1yuu s LEU 71 N 0.21 4.75 0.56 1.80 2.01 0.39 -4.84 118.68 123.57 1yuu s LEU 71 Ca -0.04 -1.86 -0.19 0.00 0.01 0.00 0.00 54.13 52.05 1yuu s LEU 71 Cb -0.14 -2.43 -0.07 0.00 0.01 0.00 0.00 46.19 43.56 1yuu s LEU 71 CO 0.03 -1.16 0.84 1.17 1.01 0.00 0.00 176.35 178.24 1yuu n LYS 72 N 7.01 0.85 -0.34 1.70 3.00 -1.26 -0.32 118.16 128.81 1yuu n LYS 72 Ca 0.23 0.32 0.07 0.00 -0.00 0.00 0.00 58.31 58.93 1yuu n LYS 72 Cb 0.49 -2.01 0.15 0.00 0.00 0.00 0.00 35.03 33.66 1yuu n LYS 72 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.40 179.37 1yuu n PHE 73 N -1.52 0.37 -0.00 5.64 -1.74 0.12 0.39 117.46 120.72 1yuu n PHE 73 Ca 0.12 1.14 -0.03 0.00 -0.56 0.00 0.00 57.45 58.13 1yuu n PHE 73 Cb 0.46 -1.07 0.21 0.00 1.52 0.00 0.00 39.48 40.61 1yuu n PHE 73 CO 0.00 0.00 0.00 -0.97 -0.56 0.00 0.00 176.76 175.23 1yuu h ASN 74 N 0.00 0.52 0.39 5.98 -0.73 -1.89 0.86 115.58 120.72 1yuu h ASN 74 Ca 0.47 -0.16 -0.02 0.00 1.87 0.00 0.00 56.30 58.46 1yuu h ASN 74 Cb 0.75 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.21 1yuu h ASN 74 CO -0.96 0.72 -0.19 -0.33 -0.37 0.00 0.00 177.43 176.30 1yuu h GLU 75 N 0.48 -0.51 -0.66 6.67 5.08 -0.38 -3.13 114.58 122.14 1yuu h GLU 75 Ca 0.08 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.60 1yuu h GLU 75 Cb 0.58 0.12 -0.13 0.00 0.50 0.00 0.00 28.75 29.82 1yuu h GLU 75 CO 0.04 -0.21 -0.24 -0.92 -1.00 0.00 0.00 179.01 176.68 1yuu h TYR 76 N -0.80 -0.59 -1.27 4.33 3.20 -0.62 0.71 116.97 121.93 1yuu h TYR 76 Ca -0.05 0.07 0.37 0.00 3.14 0.00 0.00 58.73 62.25 1yuu h TYR 76 Cb 0.53 0.36 -0.09 0.00 1.54 0.00 0.00 36.73 39.08 1yuu h TYR 76 CO 0.01 -0.33 0.86 2.35 -1.64 0.00 0.00 178.16 179.40 1yuu h TRP 77 N -0.07 0.34 -0.97 -3.82 2.91 -0.79 0.20 115.95 113.76 1yuu h TRP 77 Ca 0.30 0.01 0.24 0.00 1.13 0.00 0.00 58.89 60.57 1yuu h TRP 77 Cb 0.53 -0.09 -0.18 0.00 -0.51 0.00 0.00 29.16 28.90 1yuu h TRP 77 CO -0.59 -0.04 -0.08 -0.09 -1.03 0.00 0.00 178.44 176.61 1yuu h ARG 78 N 0.14 0.01 -0.91 2.65 2.43 -0.80 0.24 114.38 118.15 1yuu h ARG 78 Ca 0.68 -0.00 0.18 0.00 -0.81 0.00 0.00 59.98 60.03 1yuu h ARG 78 Cb 2.28 -0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 31.66 1yuu h ARG 78 CO -0.21 0.01 -0.24 1.25 -1.51 0.00 0.00 179.97 179.27 1yuu h LEU 79 N 0.01 -0.89 -1.69 3.80 5.85 -0.75 0.23 115.31 121.87 1yuu h LEU 79 Ca 0.54 0.28 -0.03 0.00 0.84 0.00 0.00 57.88 59.51 1yuu h LEU 79 Cb 1.00 0.58 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 1yuu h LEU 79 CO -0.95 -0.30 -0.09 0.40 -0.34 0.00 0.00 178.44 177.16 1yuu h ILE 80 N -0.00 1.10 -0.04 4.05 2.04 -0.68 0.37 117.51 124.35 1yuu h ILE 80 Ca 0.43 -0.45 -0.12 0.00 1.00 0.00 0.00 64.86 65.71 1yuu h ILE 80 Cb 0.66 1.16 0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1yuu h ILE 80 CO -0.94 0.14 -0.46 1.23 0.00 0.00 0.00 178.15 178.12 1yuu h GLY 81 N 0.44 0.42 1.90 5.37 0.00 -0.65 -0.39 103.07 110.15 1yuu h GLY 81 Ca 0.02 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1yuu h GLY 81 CO 0.01 0.59 0.00 0.83 0.00 0.00 0.00 176.54 177.97 1yuu h GLU 82 N -0.13 0.13 0.31 4.80 4.39 0.83 0.44 114.58 125.35 1yuu h GLU 82 Ca -0.05 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1yuu h GLU 82 Cb 1.15 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1yuu h GLU 82 CO 0.09 0.15 -0.15 -0.07 -1.16 0.00 0.00 179.01 177.87 1yuu h LEU 83 N 0.13 -0.36 -2.25 1.33 3.38 -0.23 0.26 115.31 117.58 1yuu h LEU 83 Ca 0.03 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.89 1yuu h LEU 83 Cb 0.09 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1yuu h LEU 83 CO 0.00 0.11 0.21 0.00 0.09 0.00 0.00 178.44 178.86 1yuu h ALA 84 N -0.66 1.73 0.00 1.53 0.00 -0.51 0.76 119.26 122.11 1yuu h ALA 84 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1yuu h ALA 84 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1yuu h ALA 84 CO 0.07 -0.30 -0.02 -0.22 0.00 0.00 0.00 179.25 178.78 1yuu h LYS 85 N 0.00 0.00 -0.96 0.00 3.64 -0.17 -3.38 116.57 115.70 1yuu h LYS 85 Ca 0.08 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.66 1yuu h LYS 85 Cb 0.51 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.22 1yuu h LYS 85 CO -0.00 0.00 0.54 0.93 -2.27 0.00 0.00 179.45 178.65 1yuu h GLU 86 N -0.90 0.63 -0.74 1.90 4.39 0.56 0.49 114.58 120.90 1yuu h GLU 86 Ca 0.00 -0.04 0.13 0.00 0.34 0.00 0.00 59.36 59.80 1yuu h GLU 86 Cb 0.02 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 28.48 1yuu h GLU 86 CO 0.00 0.41 0.49 0.97 -1.16 0.00 0.00 179.01 179.73 1yuu h ILE 87 N 0.65 0.83 0.00 3.13 2.10 -1.09 -2.15 117.51 120.98 1yuu h ILE 87 Ca 0.57 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 66.35 1yuu h ILE 87 Cb 0.94 0.32 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 1yuu h ILE 87 CO -0.42 0.08 -0.49 -1.14 -1.08 0.00 0.00 178.15 175.11 1yuu n ARG 88 N -4.49 0.35 -1.80 2.19 0.00 0.72 -4.47 116.66 109.16 1yuu n ARG 88 Ca 0.14 0.37 -0.39 0.00 -0.00 0.00 0.00 57.85 57.97 1yuu n ARG 88 Cb 0.48 -1.38 -0.04 0.00 0.00 0.00 0.00 32.46 31.52 1yuu n ARG 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1yuu n LYS 89 N -4.00 2.10 0.00 -0.14 4.81 0.14 -4.87 118.16 116.20 1yuu n LYS 89 Ca -0.07 -2.44 0.00 0.00 -0.87 0.00 0.00 58.31 54.93 1yuu n LYS 89 Cb 0.25 -3.34 0.00 0.00 0.02 0.00 0.00 35.03 31.96 1yuu n LYS 89 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1yuu n LYS 90 N 7.49 0.00 0.00 1.64 5.02 -0.81 -4.15 118.16 127.36 1yuu n LYS 90 Ca 0.49 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1yuu n LYS 90 Cb 0.43 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1yuu n LYS 90 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1yuu n LYS 91 N -0.59 0.00 -0.79 1.97 0.00 -1.26 -4.88 118.16 112.61 1yuu n LYS 91 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 58.31 57.92 1yuu n LYS 91 Cb 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.07 1yuu n LYS 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1yuu n ASP 92 N 0.00 1.25 0.00 3.14 9.92 -1.26 -4.37 116.55 125.23 1yuu n ASP 92 Ca 0.00 -2.52 0.00 0.00 -0.53 0.00 0.00 54.79 51.74 1yuu n ASP 92 Cb 0.00 -0.81 0.00 0.00 -0.64 0.00 0.00 41.12 39.67 1yuu n ASP 92 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1yuu n LEU 93 N 10.97 0.00 -3.77 0.64 7.94 -1.26 -5.05 117.00 126.48 1yuu n LEU 93 Ca 0.46 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 55.23 1yuu n LEU 93 Cb 0.43 -0.10 -0.13 0.00 0.53 0.00 0.00 43.42 44.15 1yuu n LEU 93 CO 1.06 -0.46 -0.17 -0.54 -1.11 0.00 0.00 177.39 176.17 1yuu s LYS 94 N -0.93 0.18 0.31 1.96 1.02 -1.26 -5.08 119.74 115.93 1yuu s LYS 94 Ca 0.00 0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.36 1yuu s LYS 94 Cb 0.00 -0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.27 1yuu s LYS 94 CO 0.00 -0.11 0.00 -0.89 -0.92 0.00 0.00 175.35 173.43 1yuu n ILE 95 N 3.70 -3.63 -1.11 2.17 -0.00 -1.26 -4.98 119.36 114.25 1yuu n ILE 95 Ca -0.20 1.46 -0.30 0.00 -0.00 0.00 0.00 62.75 63.71 1yuu n ILE 95 Cb 0.55 -2.06 0.14 0.00 -0.00 0.00 0.00 39.64 38.27 1yuu n ILE 95 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1yuu s ARG 96 N -4.45 1.34 -0.30 0.38 1.70 -1.26 -4.84 118.95 111.52 1yuu s ARG 96 Ca 0.00 1.01 -0.24 0.00 -0.47 0.00 0.00 55.73 56.03 1yuu s ARG 96 Cb 0.00 -1.80 0.20 0.00 -0.57 0.00 0.00 34.95 32.78 1yuu s ARG 96 CO 0.00 -2.23 1.46 0.15 -1.08 0.00 0.00 175.30 173.59 1yuu s LYS 97 N -4.86 0.01 0.00 3.89 1.02 -1.26 -5.09 119.74 113.45 1yuu s LYS 97 Ca 0.64 0.01 0.00 0.00 0.02 0.00 0.00 55.97 56.64 1yuu s LYS 97 Cb -0.19 0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.13 1yuu s LYS 97 CO 0.57 -0.00 0.00 1.63 -0.92 0.00 0.00 175.35 176.63