#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 -1.75 0.00 3.04 0.00 -1.26 -5.10 121.76 116.69 1yuu s ALA 2 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1yuu s ALA 2 Cb 0.00 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1yuu s ALA 2 CO 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 175.76 174.70 1yuu n ALA 3 N -0.60 -2.22 -1.68 0.00 0.00 -1.26 -5.02 120.51 109.74 1yuu n ALA 3 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.96 1yuu n ALA 3 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.02 1yuu n ALA 3 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1yuu n GLU 4 N -0.32 2.60 -2.22 0.00 0.00 -1.26 -4.91 120.64 114.53 1yuu n GLU 4 Ca 0.00 0.95 -0.42 0.00 0.00 0.00 0.00 57.16 57.69 1yuu n GLU 4 Cb 0.00 -2.82 -0.03 0.00 0.00 0.00 0.00 31.44 28.59 1yuu n GLU 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1yuu s PRO 5 N 2.86 3.33 0.83 3.44 0.04 -1.26 -4.99 135.00 139.24 1yuu s PRO 5 Ca 0.84 0.93 -0.11 0.00 0.04 0.00 0.00 61.00 62.70 1yuu s PRO 5 Cb -0.54 -4.14 0.09 0.00 0.04 0.00 0.00 34.50 29.95 1yuu s PRO 5 CO 0.40 -1.88 1.12 -0.51 0.04 0.00 0.00 177.00 176.18 1yuu s LEU 6 N 6.44 2.97 0.87 -3.56 1.43 -1.26 -5.03 118.68 120.54 1yuu s LEU 6 Ca 0.65 2.01 -0.12 0.00 -1.03 0.00 0.00 54.13 55.64 1yuu s LEU 6 Cb -0.15 -4.54 0.12 0.00 0.03 0.00 0.00 46.19 41.64 1yuu s LEU 6 CO 0.30 -2.51 1.15 0.28 0.23 0.00 0.00 176.35 175.81 1yuu s THR 7 N -2.75 2.00 0.15 5.49 -1.32 -1.26 -4.75 115.64 113.20 1yuu s THR 7 Ca 0.64 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.99 1yuu s THR 7 Cb -0.20 -2.84 0.04 0.00 -1.51 0.00 0.00 72.50 67.98 1yuu s THR 7 CO 0.56 -0.00 1.66 -0.08 -2.21 0.00 0.00 174.62 174.56 1yuu h GLU 8 N -1.33 0.83 0.61 7.08 4.81 -1.98 0.79 114.58 125.38 1yuu h GLU 8 Ca -0.49 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 58.52 1yuu h GLU 8 Cb 1.33 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.61 1yuu h GLU 8 CO 0.63 0.78 -0.29 -0.07 -0.73 0.00 0.00 179.01 179.33 1yuu h LEU 9 N 0.72 -0.70 -0.46 1.64 4.07 -1.98 0.98 115.31 119.58 1yuu h LEU 9 Ca 0.16 -0.03 0.09 0.00 0.08 0.00 0.00 57.88 58.19 1yuu h LEU 9 Cb 0.32 0.18 -0.10 0.00 1.08 0.00 0.00 40.66 42.15 1yuu h LEU 9 CO 0.00 -0.38 -0.25 -0.33 -1.08 0.00 0.00 178.44 176.41 1yuu h GLU 10 N -1.02 -0.15 0.19 1.13 5.08 -1.89 0.22 114.58 118.14 1yuu h GLU 10 Ca -0.08 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1yuu h GLU 10 Cb 0.68 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 1yuu h GLU 10 CO 0.14 -0.10 -0.51 1.49 -1.00 0.00 0.00 179.01 179.03 1yuu h GLU 11 N -0.15 -0.76 -0.75 2.33 4.57 -0.86 -0.91 114.58 118.05 1yuu h GLU 11 Ca 0.21 0.05 0.09 0.00 -1.18 0.00 0.00 59.36 58.53 1yuu h GLU 11 Cb 0.49 0.17 -0.07 0.00 -0.16 0.00 0.00 28.75 29.18 1yuu h GLU 11 CO -0.55 -0.51 0.41 0.66 -1.18 0.00 0.00 179.01 177.84 1yuu h SER 12 N -0.79 0.57 -0.39 1.04 4.64 0.35 0.15 113.55 119.13 1yuu h SER 12 Ca -0.01 0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 1yuu h SER 12 Cb 0.77 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 1yuu h SER 12 CO -0.25 0.34 0.05 0.16 -0.87 0.00 0.00 176.83 176.26 1yuu h ILE 13 N 0.70 1.24 -0.12 0.95 -0.00 -0.82 -1.46 117.51 118.01 1yuu h ILE 13 Ca 0.36 -0.88 -0.00 0.00 -0.00 0.00 0.00 64.86 64.33 1yuu h ILE 13 Cb 0.32 1.07 -0.01 0.00 -0.00 0.00 0.00 36.82 38.21 1yuu h ILE 13 CO -0.24 0.30 0.07 -0.08 -0.00 0.00 0.00 178.15 178.20 1yuu h GLU 14 N 0.49 0.16 -0.82 0.16 4.81 -0.04 0.10 114.58 119.43 1yuu h GLU 14 Ca 0.12 -0.01 0.20 0.00 -0.13 0.00 0.00 59.36 59.54 1yuu h GLU 14 Cb 0.38 -0.03 -0.14 0.00 0.63 0.00 0.00 28.75 29.59 1yuu h GLU 14 CO 0.01 0.13 0.10 1.15 -0.73 0.00 0.00 179.01 179.68 1yuu h THR 15 N 0.14 0.31 0.09 0.32 2.02 -0.57 0.11 112.91 115.33 1yuu h THR 15 Ca 0.04 -0.05 -0.26 0.00 0.77 0.00 0.00 66.41 66.91 1yuu h THR 15 Cb 0.01 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 1yuu h THR 15 CO -0.01 0.03 -1.20 -0.37 0.37 0.00 0.00 175.52 174.34 1yuu h VAL 16 N 0.14 1.53 -0.96 3.16 -1.51 -0.92 -3.16 116.25 114.54 1yuu h VAL 16 Ca 0.48 -3.14 0.06 0.00 -1.23 0.00 0.00 66.70 62.87 1yuu h VAL 16 Cb 0.92 2.90 -0.06 0.00 -2.13 0.00 0.00 31.29 32.91 1yuu h VAL 16 CO -0.68 0.91 0.62 0.58 -1.23 0.00 0.00 177.57 177.77 1yuu h VAL 17 N 0.05 1.10 -0.48 7.19 2.07 0.60 0.98 116.25 127.76 1yuu h VAL 17 Ca -0.11 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 1yuu h VAL 17 Cb 1.92 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1yuu h VAL 17 CO 0.18 0.21 0.10 0.00 0.02 0.00 0.00 177.57 178.08 1yuu h THR 18 N 1.13 1.24 -0.10 2.57 1.03 -0.89 0.13 112.91 118.02 1yuu h THR 18 Ca 0.40 -0.87 0.04 0.00 -0.01 0.00 0.00 66.41 65.97 1yuu h THR 18 Cb 0.14 0.88 -0.04 0.00 -1.07 0.00 0.00 68.15 68.06 1yuu h THR 18 CO -0.15 0.31 -0.13 0.74 -0.01 0.00 0.00 175.52 176.28 1yuu h THR 19 N 0.66 0.65 -0.17 0.00 2.02 -1.32 0.20 112.91 114.97 1yuu h THR 19 Ca 0.15 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.36 1yuu h THR 19 Cb 0.35 0.65 -0.07 0.00 -1.74 0.00 0.00 68.15 67.35 1yuu h THR 19 CO 0.00 0.00 -0.54 0.15 0.37 0.00 0.00 175.52 175.50 1yuu h PHE 20 N -0.16 -1.61 -0.05 3.16 3.57 -0.64 -1.41 116.94 119.79 1yuu h PHE 20 Ca 0.08 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.68 1yuu h PHE 20 Cb 0.28 0.73 -0.05 0.00 2.79 0.00 0.00 35.95 39.70 1yuu h PHE 20 CO -0.24 -0.53 -0.22 0.35 -2.23 0.00 0.00 178.31 175.44 1yuu h PHE 21 N -0.55 -0.58 0.70 0.41 3.57 -0.20 0.47 116.94 120.75 1yuu h PHE 21 Ca 0.04 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1yuu h PHE 21 Cb 0.66 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1yuu h PHE 21 CO -0.60 -0.30 -0.48 1.79 -2.23 0.00 0.00 178.31 176.48 1yuu h THR 22 N -0.32 0.00 -0.96 4.41 1.35 -0.85 -1.31 112.91 115.23 1yuu h THR 22 Ca 0.08 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 66.02 1yuu h THR 22 Cb 0.43 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 66.78 1yuu h THR 22 CO -0.24 0.00 0.60 -0.26 -0.25 0.00 0.00 175.52 175.38 1yuu h PHE 23 N -1.12 1.11 0.00 4.73 -1.00 -1.09 -2.08 116.94 117.49 1yuu h PHE 23 Ca -0.09 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.68 1yuu h PHE 23 Cb 0.92 -0.36 -0.01 0.00 3.61 0.00 0.00 35.95 40.12 1yuu h PHE 23 CO -0.14 0.52 -0.18 0.00 -1.61 0.00 0.00 178.31 176.89 1yuu h ALA 24 N 1.47 1.40 0.00 2.45 0.00 0.29 -2.46 119.26 122.41 1yuu h ALA 24 Ca 0.44 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1yuu h ALA 24 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1yuu h ALA 24 CO -0.21 0.23 0.00 -0.09 0.00 0.00 0.00 179.25 179.17 1yuu h ARG 25 N 0.00 0.00 -0.24 0.00 2.43 -0.51 -3.29 114.38 112.78 1yuu h ARG 25 Ca -0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1yuu h ARG 25 Cb 0.40 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1yuu h ARG 25 CO 0.02 0.00 -0.16 0.37 -1.51 0.00 0.00 179.97 178.70 1yuu h GLN 26 N 0.00 -0.02 -3.73 0.20 5.75 -1.47 -2.72 115.11 113.13 1yuu h GLN 26 Ca 0.00 0.00 -0.79 0.00 -0.15 0.00 0.00 58.65 57.71 1yuu h GLN 26 Cb 0.94 0.00 -0.26 0.00 1.07 0.00 0.00 27.48 29.23 1yuu h GLN 26 CO 0.00 -0.01 0.60 0.39 -2.65 0.00 0.00 178.83 177.16 1yuu n GLU 27 N -3.56 3.54 0.00 1.69 1.02 -1.26 -5.00 120.64 117.07 1yuu n GLU 27 Ca 0.00 -4.37 0.00 0.00 -0.02 0.00 0.00 57.16 52.77 1yuu n GLU 27 Cb 0.07 -2.62 0.00 0.00 -0.02 0.00 0.00 31.44 28.87 1yuu n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yuu n GLY 28 N 2.86 0.62 2.17 0.62 0.00 -1.03 -4.79 105.19 105.65 1yuu n GLY 28 Ca 0.26 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.40 -0.79 1.61 1.74 -1.26 -4.12 116.66 113.43 1yuu n ARG 29 Ca 0.00 0.54 -0.08 0.00 -0.77 0.00 0.00 57.85 57.54 1yuu n ARG 29 Cb 0.00 -0.72 -0.05 0.00 -1.02 0.00 0.00 32.46 30.67 1yuu n ARG 29 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1yuu n LYS 30 N 0.68 1.53 0.06 5.56 0.00 -1.24 -2.32 118.16 122.44 1yuu n LYS 30 Ca -0.01 -0.72 0.00 0.00 -0.00 0.00 0.00 58.31 57.58 1yuu n LYS 30 Cb 0.32 -1.49 0.00 0.00 -0.00 0.00 0.00 35.03 33.86 1yuu n LYS 30 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1yuu n ASP 31 N 1.59 -1.00 -4.65 -5.58 8.00 -1.26 -4.73 116.55 108.93 1yuu n ASP 31 Ca 0.21 0.24 -0.35 0.00 0.71 0.00 0.00 54.79 55.61 1yuu n ASP 31 Cb 0.64 1.22 -0.10 0.00 -0.02 0.00 0.00 41.12 42.86 1yuu n ASP 31 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1yuu s SER 32 N -2.67 5.23 -0.03 -2.24 1.04 -0.98 -2.89 113.70 111.15 1yuu s SER 32 Ca 0.00 0.09 -0.26 0.00 0.48 0.00 0.00 55.95 56.26 1yuu s SER 32 Cb 0.00 -1.61 -0.04 0.00 0.10 0.00 0.00 66.02 64.48 1yuu s SER 32 CO 0.00 0.31 0.82 -0.76 0.98 0.00 0.00 173.24 174.59 1yuu s LEU 33 N -0.49 4.35 0.92 2.42 2.01 -0.27 -4.77 118.68 122.85 1yuu s LEU 33 Ca 0.09 1.40 -0.14 0.00 0.01 0.00 0.00 54.13 55.48 1yuu s LEU 33 Cb -0.12 -3.29 0.18 0.00 0.01 0.00 0.00 46.19 42.98 1yuu s LEU 33 CO 0.02 -0.16 1.28 -0.55 1.01 0.00 0.00 176.35 177.94 1yuu s SER 34 N 0.82 3.35 0.06 2.29 0.15 -1.26 -0.47 113.70 118.64 1yuu s SER 34 Ca 0.43 0.23 -0.26 0.00 0.70 0.00 0.00 55.95 57.06 1yuu s SER 34 Cb -0.19 -0.35 -0.17 0.00 -1.71 0.00 0.00 66.02 63.60 1yuu s SER 34 CO 0.22 -2.58 1.58 0.58 1.20 0.00 0.00 173.24 174.25 1yuu h VAL 35 N -1.48 0.86 0.57 4.45 2.07 -1.99 0.19 116.25 120.92 1yuu h VAL 35 Ca -0.44 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 1yuu h VAL 35 Cb 1.24 1.00 0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1yuu h VAL 35 CO 0.40 0.05 -0.27 -1.13 0.02 0.00 0.00 177.57 176.64 1yuu h ASN 36 N -0.37 -0.64 -0.95 0.57 -1.24 -1.98 -0.74 115.58 110.23 1yuu h ASN 36 Ca -0.03 0.01 0.15 0.00 0.71 0.00 0.00 56.30 57.14 1yuu h ASN 36 Cb 0.28 0.17 -0.15 0.00 0.73 0.00 0.00 38.32 39.35 1yuu h ASN 36 CO 0.04 -0.44 -0.37 -0.62 -1.29 0.00 0.00 177.43 174.75 1yuu n GLU 37 N -5.40 -0.23 0.15 6.67 1.02 -1.18 -0.13 120.64 121.54 1yuu n GLU 37 Ca -0.12 1.46 -0.14 0.00 -0.02 0.00 0.00 57.16 58.34 1yuu n GLU 37 Cb 0.32 -2.17 -0.06 0.00 -0.02 0.00 0.00 31.44 29.51 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 -0.62 -0.95 -0.32 3.57 -0.45 -2.78 116.94 115.39 1yuu h PHE 38 Ca 0.33 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.91 1yuu h PHE 38 Cb 0.56 0.24 -0.07 0.00 2.79 0.00 0.00 35.95 39.48 1yuu h PHE 38 CO -0.84 -0.34 0.62 -0.22 -2.23 0.00 0.00 178.31 175.30 1yuu h LYS 39 N -0.49 1.03 -1.01 1.11 3.64 0.83 -1.29 116.57 120.39 1yuu h LYS 39 Ca 0.00 -0.06 0.27 0.00 -1.27 0.00 0.00 60.65 59.59 1yuu h LYS 39 Cb 0.46 -0.23 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 1yuu h LYS 39 CO -0.07 0.68 0.69 0.93 -2.27 0.00 0.00 179.45 179.41 1yuu h GLU 40 N 1.06 0.20 -0.31 1.90 5.08 -0.24 0.10 114.58 122.38 1yuu h GLU 40 Ca 0.42 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.75 1yuu h GLU 40 Cb 0.26 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1yuu h GLU 40 CO -0.17 0.13 0.12 1.25 -1.00 0.00 0.00 179.01 179.34 1yuu h LEU 41 N 0.21 0.43 -0.05 1.33 7.12 -1.23 0.16 115.31 123.27 1yuu h LEU 41 Ca 0.52 -0.17 -0.25 0.00 0.13 0.00 0.00 57.88 58.10 1yuu h LEU 41 Cb 1.66 -0.11 0.02 0.00 -0.53 0.00 0.00 40.66 41.70 1yuu h LEU 41 CO -0.14 0.49 -1.01 -0.37 -0.13 0.00 0.00 178.44 177.29 1yuu h VAL 42 N 0.35 1.31 -0.51 1.05 -1.51 -1.01 -2.22 116.25 113.71 1yuu h VAL 42 Ca 0.10 -2.28 -0.01 0.00 -1.23 0.00 0.00 66.70 63.28 1yuu h VAL 42 Cb 0.19 2.37 -0.02 0.00 -2.13 0.00 0.00 31.29 31.70 1yuu h VAL 42 CO -0.01 0.70 0.28 0.74 -1.23 0.00 0.00 177.57 178.06 1yuu h THR 43 N 0.36 1.17 0.14 7.19 2.02 -0.84 -3.36 112.91 119.60 1yuu h THR 43 Ca -0.11 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 1yuu h THR 43 Cb 1.65 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1yuu h THR 43 CO 0.19 0.18 -0.07 -0.61 0.37 0.00 0.00 175.52 175.58 1yuu h GLN 44 N 0.68 -0.18 0.00 6.66 4.15 -0.63 -3.47 115.11 122.31 1yuu h GLN 44 Ca 0.18 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.61 1yuu h GLN 44 Cb 0.04 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1yuu h GLN 44 CO -0.03 0.05 0.00 1.04 -1.93 0.00 0.00 178.83 177.96 1yuu n GLN 45 N -4.89 0.00 -3.37 1.69 6.02 -0.84 -4.91 117.38 111.07 1yuu n GLN 45 Ca -0.04 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.87 1yuu n GLN 45 Cb 0.16 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.42 1yuu n GLN 45 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1yuu n LEU 46 N 0.00 -0.17 -0.05 1.08 4.32 -1.26 -4.86 117.00 116.06 1yuu n LEU 46 Ca 0.00 -0.25 -0.14 0.00 -0.02 0.00 0.00 56.01 55.60 1yuu n LEU 46 Cb 0.00 -0.33 -0.13 0.00 -1.62 0.00 0.00 43.42 41.34 1yuu n LEU 46 CO 0.00 0.14 0.40 1.55 -1.22 0.00 0.00 177.39 178.26 1yuu h PRO 47 N 1.41 0.03 0.00 3.23 0.13 -1.87 -3.41 132.00 131.52 1yuu h PRO 47 Ca -0.15 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.82 1yuu h PRO 47 Cb 0.30 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.42 1yuu h PRO 47 CO 0.10 0.95 -1.50 1.58 -0.23 0.00 0.00 178.00 178.90 1yuu n HIS 48 N -4.60 0.00 0.00 1.56 -0.00 -1.26 -4.88 115.22 106.04 1yuu n HIS 48 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.62 1yuu n HIS 48 Cb 0.48 -0.35 0.00 0.00 -0.00 0.00 0.00 29.99 30.12 1yuu n HIS 48 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1yuu n LEU 49 N -2.22 0.72 -4.86 0.27 7.94 -1.26 -4.77 117.00 112.83 1yuu n LEU 49 Ca -0.11 0.40 -0.30 0.00 -1.11 0.00 0.00 56.01 54.89 1yuu n LEU 49 Cb 0.68 -0.02 0.07 0.00 0.53 0.00 0.00 43.42 44.67 1yuu n LEU 49 CO 0.16 -0.02 0.74 -0.76 -1.11 0.00 0.00 177.39 176.40 1yuu s LEU 50 N -1.14 2.75 -0.05 -1.96 1.43 -1.26 -4.91 118.68 113.54 1yuu s LEU 50 Ca 0.00 1.14 -0.30 0.00 -1.03 0.00 0.00 54.13 53.93 1yuu s LEU 50 Cb 0.00 -3.84 0.11 0.00 0.03 0.00 0.00 46.19 42.49 1yuu s LEU 50 CO 0.00 -1.61 1.00 -1.59 0.23 0.00 0.00 176.35 174.38 1yuu s LYS 51 N -5.32 0.69 -0.48 1.70 0.00 -1.26 -4.60 119.74 110.46 1yuu s LYS 51 Ca 0.59 -0.27 -0.13 0.00 0.00 0.00 0.00 55.97 56.16 1yuu s LYS 51 Cb -0.12 0.30 0.02 0.00 0.00 0.00 0.00 37.83 38.03 1yuu s LYS 51 CO 0.52 -0.30 0.61 -3.47 0.00 0.00 0.00 175.35 172.71 1yuu n ASP 52 N -0.23 -7.91 -0.49 0.03 2.03 -1.26 -4.93 116.55 103.79 1yuu n ASP 52 Ca -0.06 0.43 0.03 0.00 0.52 0.00 0.00 54.79 55.71 1yuu n ASP 52 Cb 0.61 -5.37 0.09 0.00 -0.72 0.00 0.00 41.12 35.73 1yuu n ASP 52 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1yuu n VAL 53 N -0.55 0.38 -0.02 5.18 0.24 -1.26 -3.84 118.33 118.45 1yuu n VAL 53 Ca 0.10 -0.29 -0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1yuu n VAL 53 Cb 0.46 -0.01 -0.00 0.00 -1.47 0.00 0.00 33.84 32.83 1yuu n VAL 53 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1yuu h GLY 54 N 5.37 -0.00 -5.19 7.63 0.00 -2.04 -3.39 103.07 105.45 1yuu h GLY 54 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 1yuu h GLY 54 CO 0.03 -0.00 3.55 -1.26 0.00 0.00 0.00 176.54 178.86 1yuu n SER 55 N -2.98 7.57 0.14 0.19 2.88 -1.25 -4.28 113.62 115.90 1yuu n SER 55 Ca -0.00 -2.55 -0.24 0.00 -1.33 0.00 0.00 58.87 54.75 1yuu n SER 55 Cb 0.00 -1.48 -0.16 0.00 -0.75 0.00 0.00 64.21 61.83 1yuu n SER 55 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1yuu h LEU 56 N 7.61 0.84 -0.95 2.46 7.12 -1.76 -3.32 115.31 127.29 1yuu h LEU 56 Ca 0.78 -0.88 0.16 0.00 0.13 0.00 0.00 57.88 58.06 1yuu h LEU 56 Cb 0.29 -0.27 -0.16 0.00 -0.53 0.00 0.00 40.66 39.99 1yuu h LEU 56 CO 1.74 1.69 -0.35 -0.78 -0.13 0.00 0.00 178.44 180.60 1yuu h ASP 57 N 0.16 -1.29 -0.26 1.25 3.58 -1.94 0.25 116.42 118.16 1yuu h ASP 57 Ca -0.24 0.30 0.06 0.00 0.42 0.00 0.00 57.03 57.56 1yuu h ASP 57 Cb 2.14 0.71 -0.08 0.00 1.72 0.00 0.00 39.33 43.82 1yuu h ASP 57 CO 0.27 -0.30 -0.41 -0.08 -2.88 0.00 0.00 179.24 175.85 1yuu h GLU 58 N -0.02 -0.38 -0.07 0.28 4.81 -1.92 -0.39 114.58 116.89 1yuu h GLU 58 Ca 0.36 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.65 1yuu h GLU 58 Cb 0.62 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 1yuu h GLU 58 CO -0.96 -0.26 -0.14 0.87 -0.73 0.00 0.00 179.01 177.79 1yuu h LYS 59 N -0.40 -0.20 -0.52 1.92 6.56 -1.14 -1.70 116.57 121.08 1yuu h LYS 59 Ca 0.11 0.01 0.10 0.00 -1.06 0.00 0.00 60.65 59.82 1yuu h LYS 59 Cb 0.60 0.05 -0.11 0.00 -0.57 0.00 0.00 32.23 32.20 1yuu h LYS 59 CO -0.48 -0.13 -0.24 1.98 -2.06 0.00 0.00 179.45 178.52 1yuu h MET 60 N -0.21 -0.11 -0.77 3.15 4.05 0.26 0.28 114.93 121.57 1yuu h MET 60 Ca 0.07 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.46 1yuu h MET 60 Cb 0.31 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.10 1yuu h MET 60 CO -0.19 -0.08 0.32 0.87 0.23 0.00 0.00 176.91 178.06 1yuu h LYS 61 N -0.12 1.14 -0.71 0.39 1.57 -0.90 0.20 116.57 118.15 1yuu h LYS 61 Ca 0.24 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1yuu h LYS 61 Cb 0.49 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1yuu h LYS 61 CO -0.60 0.91 0.46 1.03 -0.57 0.00 0.00 179.45 180.69 1yuu h SER 62 N 1.12 0.82 0.07 0.86 0.87 0.33 -3.20 113.55 114.42 1yuu h SER 62 Ca 0.26 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1yuu h SER 62 Cb 0.19 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1yuu h SER 62 CO -0.02 0.60 -0.04 -0.07 -0.53 0.00 0.00 176.83 176.77 1yuu h LEU 63 N 0.96 -0.08 -6.15 2.23 4.07 -0.04 -3.39 115.31 112.90 1yuu h LEU 63 Ca 0.26 -0.38 -0.68 0.00 0.08 0.00 0.00 57.88 57.15 1yuu h LEU 63 Cb -0.10 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 1yuu h LEU 63 CO -0.05 0.57 2.84 -0.67 -1.08 0.00 0.00 178.44 180.05 1yuu n ASP 64 N -4.80 3.47 -0.29 -0.43 2.03 0.65 -4.76 116.55 112.42 1yuu n ASP 64 Ca -0.05 -2.77 0.27 0.00 0.52 0.00 0.00 54.79 52.76 1yuu n ASP 64 Cb 0.23 -1.45 0.63 0.00 -0.72 0.00 0.00 41.12 39.80 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 4.15 0.51 -0.07 5.18 -1.51 -1.78 0.68 116.25 123.41 1yuu h VAL 65 Ca 0.52 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.92 1yuu h VAL 65 Cb 0.64 0.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.09 1yuu h VAL 65 CO 1.91 0.04 0.00 -0.46 -1.23 0.00 0.00 177.57 177.83 1yuu n ASN 66 N -4.41 2.53 -3.74 4.19 6.94 -1.26 -5.01 115.26 114.50 1yuu n ASN 66 Ca 0.24 -1.84 -0.28 0.00 -0.02 0.00 0.00 54.58 52.68 1yuu n ASN 66 Cb 0.99 -0.03 0.01 0.00 -2.36 0.00 0.00 39.78 38.40 1yuu n ASN 66 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1yuu n GLN 67 N 0.96 -1.13 0.00 -3.83 1.13 0.23 -4.92 117.38 109.82 1yuu n GLN 67 Ca 0.16 0.62 0.06 0.00 -1.94 0.00 0.00 57.00 55.91 1yuu n GLN 67 Cb 0.51 -3.17 -0.05 0.00 0.11 0.00 0.00 30.24 27.64 1yuu n GLN 67 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1yuu n ASP 68 N -2.42 0.90 -1.81 1.08 5.68 -1.26 -4.99 116.55 113.73 1yuu n ASP 68 Ca -0.18 -0.95 -0.20 0.00 -0.50 0.00 0.00 54.79 52.96 1yuu n ASP 68 Cb 0.62 0.83 -0.06 0.00 -1.14 0.00 0.00 41.12 41.37 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 -0.95 -5.51 -4.06 -1.12 7.64 -1.26 -4.98 113.62 103.38 1yuu n SER 69 Ca 0.04 0.30 -0.32 0.00 1.01 0.00 0.00 58.87 59.89 1yuu n SER 69 Cb 0.23 -4.67 -0.15 0.00 -1.01 0.00 0.00 64.21 58.61 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 -4.18 2.12 -1.04 1.43 2.02 -1.26 -4.39 118.70 113.39 1yuu s GLU 70 Ca 0.00 -1.38 -0.22 0.00 0.02 0.00 0.00 54.97 53.39 1yuu s GLU 70 Cb 0.00 -2.90 0.06 0.00 0.10 0.00 0.00 34.13 31.39 1yuu s GLU 70 CO 0.00 -0.61 1.46 -0.51 0.02 0.00 0.00 175.26 175.62 1yuu s LEU 71 N 1.10 3.61 0.82 1.80 2.01 0.38 -4.89 118.68 123.51 1yuu s LEU 71 Ca -0.07 -1.57 -0.11 0.00 0.01 0.00 0.00 54.13 52.40 1yuu s LEU 71 Cb -0.20 -2.56 0.09 0.00 0.01 0.00 0.00 46.19 43.53 1yuu s LEU 71 CO -0.05 -1.46 1.10 -0.75 1.01 0.00 0.00 176.35 176.20 1yuu s LYS 72 N 4.79 1.85 0.11 1.70 2.20 -1.26 -1.12 119.74 128.01 1yuu s LYS 72 Ca 0.46 1.14 -0.22 0.00 -0.36 0.00 0.00 55.97 56.99 1yuu s LYS 72 Cb 0.00 -1.85 -0.05 0.00 -1.51 0.00 0.00 37.83 34.42 1yuu s LYS 72 CO -0.08 -1.92 1.27 1.19 -0.36 0.00 0.00 175.35 175.44 1yuu n PHE 73 N -3.71 -0.31 0.07 4.03 3.01 -1.14 -0.17 117.46 119.24 1yuu n PHE 73 Ca 0.09 0.88 -0.04 0.00 1.01 0.00 0.00 57.45 59.39 1yuu n PHE 73 Cb 0.53 -0.54 0.16 0.00 -0.01 0.00 0.00 39.48 39.62 1yuu n PHE 73 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 1yuu h ASN 74 N 0.00 0.33 0.93 4.37 -1.24 -1.92 -0.16 115.58 117.89 1yuu h ASN 74 Ca 0.11 -0.16 -0.05 0.00 0.71 0.00 0.00 56.30 56.92 1yuu h ASN 74 Cb 0.29 -0.09 0.01 0.00 0.73 0.00 0.00 38.32 39.25 1yuu h ASN 74 CO -0.66 0.77 -0.44 -0.33 -1.29 0.00 0.00 177.43 175.47 1yuu h GLU 75 N 0.25 -1.20 -0.46 6.67 5.08 -0.88 -1.98 114.58 122.06 1yuu h GLU 75 Ca 0.01 0.08 0.09 0.00 -1.00 0.00 0.00 59.36 58.55 1yuu h GLU 75 Cb 0.95 0.27 -0.10 0.00 0.50 0.00 0.00 28.75 30.38 1yuu h GLU 75 CO 0.08 -0.80 -0.26 -0.92 -1.00 0.00 0.00 179.01 176.11 1yuu h TYR 76 N -1.33 -0.70 -0.84 4.33 3.20 -0.81 -0.21 116.97 120.61 1yuu h TYR 76 Ca -0.13 0.06 0.24 0.00 3.14 0.00 0.00 58.73 62.04 1yuu h TYR 76 Cb 0.95 0.38 -0.03 0.00 1.54 0.00 0.00 36.73 39.56 1yuu h TYR 76 CO 0.00 -0.34 0.63 2.35 -1.64 0.00 0.00 178.16 179.17 1yuu h TRP 77 N -0.17 0.00 -0.93 -3.82 2.91 -0.88 0.15 115.95 113.22 1yuu h TRP 77 Ca 0.21 0.00 0.27 0.00 1.13 0.00 0.00 58.89 60.50 1yuu h TRP 77 Cb 0.50 0.00 -0.16 0.00 -0.51 0.00 0.00 29.16 28.99 1yuu h TRP 77 CO -0.52 0.00 0.27 -0.09 -1.03 0.00 0.00 178.44 177.07 1yuu h ARG 78 N 0.00 0.15 -0.88 2.65 2.43 -0.24 0.17 114.38 118.67 1yuu h ARG 78 Ca 0.40 -0.01 0.23 0.00 -0.81 0.00 0.00 59.98 59.79 1yuu h ARG 78 Cb 1.67 -0.03 -0.15 0.00 -0.42 0.00 0.00 29.97 31.03 1yuu h ARG 78 CO -0.00 0.10 0.15 1.25 -1.51 0.00 0.00 179.97 179.95 1yuu h LEU 79 N 0.16 -0.17 -0.87 3.80 5.85 -0.84 0.39 115.31 123.63 1yuu h LEU 79 Ca 0.62 0.22 -0.12 0.00 0.84 0.00 0.00 57.88 59.44 1yuu h LEU 79 Cb 1.34 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 1yuu h LEU 79 CO -0.72 -0.21 -0.44 0.40 -0.34 0.00 0.00 178.44 177.13 1yuu h ILE 80 N 0.14 1.32 -0.55 4.05 5.03 -0.83 0.28 117.51 126.95 1yuu h ILE 80 Ca 0.54 -1.60 0.02 0.00 -0.12 0.00 0.00 64.86 63.70 1yuu h ILE 80 Cb 1.07 1.73 -0.04 0.00 -3.03 0.00 0.00 36.82 36.56 1yuu h ILE 80 CO -0.72 0.48 0.33 1.23 -0.68 0.00 0.00 178.15 178.80 1yuu h GLY 81 N 1.25 0.78 1.72 5.37 0.00 -0.29 -0.56 103.07 111.35 1yuu h GLY 81 Ca 0.02 -0.25 -0.21 0.00 0.00 0.00 0.00 47.33 46.88 1yuu h GLY 81 CO 0.07 0.21 -0.93 0.83 0.00 0.00 0.00 176.54 176.72 1yuu h GLU 82 N 0.66 0.25 -0.05 4.80 4.39 0.95 0.37 114.58 125.95 1yuu h GLU 82 Ca 0.22 -0.29 0.04 0.00 0.34 0.00 0.00 59.36 59.67 1yuu h GLU 82 Cb 0.02 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 1yuu h GLU 82 CO -0.10 1.02 -0.30 -0.07 -1.16 0.00 0.00 179.01 178.40 1yuu h LEU 83 N 0.13 -0.90 -2.27 1.33 4.07 -0.48 0.24 115.31 117.43 1yuu h LEU 83 Ca -0.06 0.13 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 1yuu h LEU 83 Cb 1.58 0.37 -0.00 0.00 1.08 0.00 0.00 40.66 43.69 1yuu h LEU 83 CO 0.15 -0.35 -0.01 0.00 -1.08 0.00 0.00 178.44 177.14 1yuu h ALA 84 N 0.39 1.67 0.52 1.53 0.00 0.13 0.62 119.26 124.11 1yuu h ALA 84 Ca 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1yuu h ALA 84 Cb 0.53 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1yuu h ALA 84 CO -0.29 0.02 -0.25 0.87 0.00 0.00 0.00 179.25 179.60 1yuu h LYS 85 N 0.00 -0.67 -0.77 0.00 6.56 0.08 -3.36 116.57 118.42 1yuu h LYS 85 Ca -0.00 0.05 0.12 0.00 -1.06 0.00 0.00 60.65 59.76 1yuu h LYS 85 Cb 0.03 0.15 -0.08 0.00 -0.57 0.00 0.00 32.23 31.76 1yuu h LYS 85 CO 0.00 -0.45 0.37 0.93 -2.06 0.00 0.00 179.45 178.24 1yuu h GLU 86 N -1.08 0.56 -0.91 3.15 4.39 0.16 0.72 114.58 121.57 1yuu h GLU 86 Ca -0.07 -0.03 0.16 0.00 0.34 0.00 0.00 59.36 59.76 1yuu h GLU 86 Cb 0.53 -0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.98 1yuu h GLU 86 CO 0.12 0.37 0.59 0.97 -1.16 0.00 0.00 179.01 179.89 1yuu h ILE 87 N 0.58 0.79 0.00 3.13 2.10 -1.27 -3.32 117.51 119.52 1yuu h ILE 87 Ca 0.40 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 66.12 1yuu h ILE 87 Cb 0.52 0.08 0.00 0.00 -1.09 0.00 0.00 36.82 36.33 1yuu h ILE 87 CO -0.33 0.12 -0.33 -1.14 -1.08 0.00 0.00 178.15 175.39 1yuu n ARG 88 N -4.58 0.29 -0.82 2.19 0.00 0.20 -4.70 116.66 109.25 1yuu n ARG 88 Ca 0.19 0.43 -0.09 0.00 -0.00 0.00 0.00 57.85 58.37 1yuu n ARG 88 Cb 0.53 -1.36 -0.13 0.00 0.00 0.00 0.00 32.46 31.49 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 -3.79 1.65 0.28 -0.14 4.81 0.14 -4.59 118.16 116.52 1yuu n LYS 89 Ca -0.05 -0.79 0.18 0.00 -0.87 0.00 0.00 58.31 56.78 1yuu n LYS 89 Cb 0.17 -1.85 0.74 0.00 0.02 0.00 0.00 35.03 34.11 1yuu n LYS 89 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1yuu h LYS 90 N 3.23 0.00 0.00 1.64 3.64 -1.84 -3.42 116.57 119.82 1yuu h LYS 90 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1yuu h LYS 90 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1yuu h LYS 90 CO 0.24 0.00 0.00 1.17 -2.27 0.00 0.00 179.45 178.59 1yuu n LYS 91 N -3.03 0.00 0.00 1.90 3.00 -1.26 -5.04 118.16 113.73 1yuu n LYS 91 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1yuu n LYS 91 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.30 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 -0.79 0.00 0.00 3.14 8.00 -1.26 -4.77 116.55 120.87 1yuu n ASP 92 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1yuu n ASP 92 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1yuu n ASP 92 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1yuu n LEU 93 N 0.00 0.29 -2.74 0.64 7.94 -1.26 -4.93 117.00 116.94 1yuu n LEU 93 Ca 0.00 0.15 -0.05 0.00 -1.11 0.00 0.00 56.01 54.99 1yuu n LEU 93 Cb 0.00 0.00 0.03 0.00 0.53 0.00 0.00 43.42 43.98 1yuu n LEU 93 CO 0.00 0.00 0.22 0.29 -1.11 0.00 0.00 177.39 176.79 1yuu n LYS 94 N -0.20 0.54 -2.92 1.96 5.02 -1.26 -5.07 118.16 116.24 1yuu n LYS 94 Ca 0.00 -1.69 -0.14 0.00 -2.02 0.00 0.00 58.31 54.45 1yuu n LYS 94 Cb 0.00 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1yuu n LYS 94 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1yuu n ILE 95 N 2.34 -0.27 0.00 -0.18 0.13 -1.26 -5.09 119.36 115.03 1yuu n ILE 95 Ca 0.13 -2.45 0.00 0.00 -1.10 0.00 0.00 62.75 59.33 1yuu n ILE 95 Cb 0.61 0.17 0.00 0.00 -0.84 0.00 0.00 39.64 39.58 1yuu n ILE 95 CO 0.00 0.00 0.00 -2.11 2.80 0.00 0.00 176.55 177.24 1yuu n ARG 96 N 1.59 0.00 -3.65 9.51 1.85 -1.26 -5.02 116.66 119.68 1yuu n ARG 96 Ca 0.14 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.96 1yuu n ARG 96 Cb 0.59 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.93 1yuu n ARG 96 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 1yuu s LYS 97 N 0.00 0.13 0.00 2.89 2.47 -1.26 -5.28 119.74 118.69 1yuu s LYS 97 Ca 0.00 0.17 0.00 0.00 -1.56 0.00 0.00 55.97 54.58 1yuu s LYS 97 Cb 0.00 0.06 0.00 0.00 -1.46 0.00 0.00 37.83 36.43 1yuu s LYS 97 CO 0.00 -0.02 0.00 1.63 0.16 0.00 0.00 175.35 177.12