#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 4.64 0.00 3.04 0.00 -1.26 -4.92 121.76 123.26 1yuu s ALA 2 Ca 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 51.96 49.81 1yuu s ALA 2 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.63 1yuu s ALA 2 CO 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 175.76 174.80 1yuu n ALA 3 N -2.32 -2.58 -2.54 0.00 0.00 -1.26 -5.03 120.51 106.77 1yuu n ALA 3 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.18 1yuu n ALA 3 Cb 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.04 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 -1.44 4.32 0.33 0.00 2.56 -1.26 -5.02 118.70 118.19 1yuu s GLU 4 Ca 0.00 1.54 -0.28 0.00 0.00 0.00 0.00 54.97 56.23 1yuu s GLU 4 Cb 0.00 -3.62 -0.10 0.00 2.00 0.00 0.00 34.13 32.41 1yuu s GLU 4 CO 0.00 -0.52 1.21 -1.25 -0.56 0.00 0.00 175.26 174.14 1yuu s PRO 5 N 2.68 4.39 0.54 4.30 0.04 -1.26 -5.05 135.00 140.65 1yuu s PRO 5 Ca 0.51 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.65 1yuu s PRO 5 Cb -0.21 -3.03 0.07 0.00 0.04 0.00 0.00 34.50 31.37 1yuu s PRO 5 CO 0.16 -0.08 0.75 -0.51 0.04 0.00 0.00 177.00 177.36 1yuu s LEU 6 N -1.81 3.25 0.83 -3.56 1.43 -1.26 -5.10 118.68 112.46 1yuu s LEU 6 Ca 0.49 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.80 1yuu s LEU 6 Cb -0.35 -1.96 0.09 0.00 0.03 0.00 0.00 46.19 44.00 1yuu s LEU 6 CO 0.46 -1.22 1.09 0.28 0.23 0.00 0.00 176.35 177.20 1yuu s THR 7 N -2.62 3.03 0.12 5.49 -1.32 -1.26 -4.70 115.64 114.39 1yuu s THR 7 Ca 0.60 0.33 -0.21 0.00 -1.21 0.00 0.00 61.69 61.21 1yuu s THR 7 Cb -0.07 -2.85 -0.04 0.00 -1.51 0.00 0.00 72.50 68.02 1yuu s THR 7 CO 0.38 -0.44 1.71 -0.08 -2.21 0.00 0.00 174.62 173.98 1yuu h GLU 8 N -1.30 -0.02 -0.33 7.08 4.81 -1.99 0.53 114.58 123.35 1yuu h GLU 8 Ca -0.47 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1yuu h GLU 8 Cb 1.26 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 1yuu h GLU 8 CO 0.54 -0.01 0.20 -0.07 -0.73 0.00 0.00 179.01 178.94 1yuu h LEU 9 N -0.02 0.40 -0.26 1.64 3.38 -1.99 -0.71 115.31 117.74 1yuu h LEU 9 Ca 0.08 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1yuu h LEU 9 Cb 0.15 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.72 1yuu h LEU 9 CO -0.18 0.33 -0.34 -0.33 0.09 0.00 0.00 178.44 178.01 1yuu h GLU 10 N 0.43 -0.33 -0.34 1.13 5.08 -1.65 0.18 114.58 119.09 1yuu h GLU 10 Ca 0.12 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 1yuu h GLU 10 Cb -0.00 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.24 1yuu h GLU 10 CO -0.02 -0.22 -0.22 0.93 -1.00 0.00 0.00 179.01 178.48 1yuu h GLU 11 N -0.34 -0.18 -0.04 2.33 4.39 -0.72 0.24 114.58 120.25 1yuu h GLU 11 Ca 0.13 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.86 1yuu h GLU 11 Cb 0.55 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 1yuu h GLU 11 CO -0.45 -0.12 -0.07 1.03 -1.16 0.00 0.00 179.01 178.24 1yuu h SER 12 N -0.18 -0.21 -0.52 1.42 0.87 -0.38 -1.61 113.55 112.95 1yuu h SER 12 Ca 0.17 0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.67 1yuu h SER 12 Cb 0.45 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1yuu h SER 12 CO -0.45 -0.10 -0.05 0.16 -0.53 0.00 0.00 176.83 175.87 1yuu h ILE 13 N -0.10 1.26 0.49 2.23 -0.00 -0.38 -2.97 117.51 118.03 1yuu h ILE 13 Ca 0.04 -1.17 -0.02 0.00 -0.00 0.00 0.00 64.86 63.71 1yuu h ILE 13 Cb 0.16 0.89 -0.00 0.00 -0.00 0.00 0.00 36.82 37.87 1yuu h ILE 13 CO -0.11 0.42 -0.28 -0.08 -0.00 0.00 0.00 178.15 178.10 1yuu h GLU 14 N 0.89 -0.70 -0.96 0.16 4.22 -0.59 0.16 114.58 117.76 1yuu h GLU 14 Ca 0.15 0.05 0.13 0.00 0.08 0.00 0.00 59.36 59.78 1yuu h GLU 14 Cb 0.58 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.91 1yuu h GLU 14 CO 0.04 -0.47 0.61 0.00 -2.18 0.00 0.00 179.01 177.01 1yuu h THR 15 N -0.73 0.87 -0.05 0.32 1.03 -1.24 0.18 112.91 113.28 1yuu h THR 15 Ca -0.06 -0.29 -0.24 0.00 -0.01 0.00 0.00 66.41 65.81 1yuu h THR 15 Cb 0.59 -0.06 0.02 0.00 -1.07 0.00 0.00 68.15 67.62 1yuu h THR 15 CO 0.07 0.16 -0.90 -0.37 -0.01 0.00 0.00 175.52 174.46 1yuu h VAL 16 N 0.86 1.29 -0.15 0.00 -1.51 -1.38 -2.88 116.25 112.48 1yuu h VAL 16 Ca 0.48 -2.13 0.02 0.00 -1.23 0.00 0.00 66.70 63.85 1yuu h VAL 16 Cb 0.61 2.26 -0.02 0.00 -2.13 0.00 0.00 31.29 32.02 1yuu h VAL 16 CO -0.25 0.66 0.00 0.58 -1.23 0.00 0.00 177.57 177.33 1yuu h VAL 17 N 0.39 0.90 -0.51 7.19 2.07 0.16 0.15 116.25 126.61 1yuu h VAL 17 Ca -0.10 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1yuu h VAL 17 Cb 1.55 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 1yuu h VAL 17 CO 0.18 0.01 0.33 0.00 0.02 0.00 0.00 177.57 178.11 1yuu h THR 18 N 0.06 1.13 0.50 2.57 1.03 -0.86 0.18 112.91 117.52 1yuu h THR 18 Ca 0.07 -0.25 -0.02 0.00 -0.01 0.00 0.00 66.41 66.20 1yuu h THR 18 Cb 0.08 0.39 -0.01 0.00 -1.07 0.00 0.00 68.15 67.55 1yuu h THR 18 CO -0.11 0.13 -0.33 0.74 -0.01 0.00 0.00 175.52 175.93 1yuu h THR 19 N 0.69 0.32 -0.70 0.00 2.02 -1.25 0.23 112.91 114.21 1yuu h THR 19 Ca 0.19 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.47 1yuu h THR 19 Cb -0.07 0.32 -0.12 0.00 -1.74 0.00 0.00 68.15 66.54 1yuu h THR 19 CO -0.04 0.00 -0.44 0.15 0.37 0.00 0.00 175.52 175.56 1yuu h PHE 20 N -0.80 -1.29 0.17 3.16 3.57 -0.54 -0.56 116.94 120.66 1yuu h PHE 20 Ca -0.05 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1yuu h PHE 20 Cb 0.66 0.66 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 1yuu h PHE 20 CO -0.12 -0.41 -0.16 0.35 -2.23 0.00 0.00 178.31 175.74 1yuu h PHE 21 N -0.16 -0.42 -0.22 0.41 3.57 -0.24 0.24 116.94 120.13 1yuu h PHE 21 Ca 0.21 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 1yuu h PHE 21 Cb 0.55 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 1yuu h PHE 21 CO -0.77 -0.24 -0.14 0.00 -2.23 0.00 0.00 178.31 174.93 1yuu h THR 22 N -0.35 1.21 0.09 4.41 1.03 -0.59 0.33 112.91 119.03 1yuu h THR 22 Ca 0.00 -0.93 -0.00 0.00 -0.01 0.00 0.00 66.41 65.46 1yuu h THR 22 Cb 0.33 1.20 0.00 0.00 -1.07 0.00 0.00 68.15 68.61 1yuu h THR 22 CO -0.04 0.30 -0.04 -0.26 -0.01 0.00 0.00 175.52 175.47 1yuu h PHE 23 N 0.34 -0.11 0.00 0.00 0.04 -0.67 -3.11 116.94 113.43 1yuu h PHE 23 Ca 0.07 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1yuu h PHE 23 Cb 0.45 0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.64 1yuu h PHE 23 CO 0.01 -0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.72 1yuu h ALA 24 N 0.71 1.00 0.00 2.45 0.00 0.66 -0.21 119.26 123.87 1yuu h ALA 24 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1yuu h ALA 24 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1yuu h ALA 24 CO 0.02 0.00 0.00 0.07 0.00 0.00 0.00 179.25 179.34 1yuu h ARG 25 N 0.00 0.00 -0.03 0.00 0.11 -0.90 -3.31 114.38 110.25 1yuu h ARG 25 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1yuu h ARG 25 Cb 0.10 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 1yuu h ARG 25 CO 0.00 0.00 -0.03 1.96 0.10 0.00 0.00 179.97 182.00 1yuu h GLN 26 N 0.00 -0.02 -5.98 0.08 7.50 -1.10 -3.45 115.11 112.14 1yuu h GLN 26 Ca 0.00 0.00 -0.55 0.00 0.50 0.00 0.00 58.65 58.60 1yuu h GLN 26 Cb 0.79 0.01 -0.06 0.00 0.05 0.00 0.00 27.48 28.26 1yuu h GLN 26 CO 0.00 -0.02 -0.43 -1.21 -1.50 0.00 0.00 178.83 175.67 1yuu s GLU 27 N -3.16 2.33 0.00 1.46 2.02 -1.26 -5.05 118.70 115.03 1yuu s GLU 27 Ca -0.01 -1.78 -0.01 0.00 0.02 0.00 0.00 54.97 53.19 1yuu s GLU 27 Cb 0.01 -2.11 -0.01 0.00 0.10 0.00 0.00 34.13 32.11 1yuu s GLU 27 CO 0.04 -0.21 0.04 0.41 0.02 0.00 0.00 175.26 175.55 1yuu n GLY 28 N -1.40 -0.02 2.23 -1.39 0.00 -1.26 -4.41 105.19 98.94 1yuu n GLY 28 Ca -0.00 0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 0.05 -3.68 -0.79 1.61 5.12 -1.26 -4.68 116.66 113.03 1yuu n ARG 29 Ca 0.01 2.85 -0.19 0.00 -1.93 0.00 0.00 57.85 58.59 1yuu n ARG 29 Cb 0.00 -3.99 -0.05 0.00 -1.16 0.00 0.00 32.46 27.26 1yuu n ARG 29 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1yuu n LYS 30 N 1.34 2.02 0.10 5.56 2.85 -1.25 -3.08 118.16 125.70 1yuu n LYS 30 Ca -0.22 -1.26 0.00 0.00 -1.05 0.00 0.00 58.31 55.78 1yuu n LYS 30 Cb 0.35 -2.26 0.00 0.00 -0.65 0.00 0.00 35.03 32.46 1yuu n LYS 30 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1yuu n ASP 31 N 3.53 -1.72 -4.84 -5.58 5.68 -1.25 -4.75 116.55 107.62 1yuu n ASP 31 Ca 0.43 0.41 -0.33 0.00 -0.50 0.00 0.00 54.79 54.80 1yuu n ASP 31 Cb 0.33 1.85 -0.06 0.00 -1.14 0.00 0.00 41.12 42.10 1yuu n ASP 31 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1yuu s SER 32 N -2.00 6.81 -0.20 -1.12 1.04 -1.18 -3.73 113.70 113.32 1yuu s SER 32 Ca 0.00 1.40 -0.14 0.00 0.48 0.00 0.00 55.95 57.70 1yuu s SER 32 Cb 0.00 -2.42 -0.04 0.00 0.10 0.00 0.00 66.02 63.65 1yuu s SER 32 CO 0.00 -0.27 0.30 -0.76 0.98 0.00 0.00 173.24 173.49 1yuu s LEU 33 N -3.10 4.16 0.88 2.42 2.01 -0.01 -4.76 118.68 120.28 1yuu s LEU 33 Ca 0.57 0.39 -0.11 0.00 0.01 0.00 0.00 54.13 54.98 1yuu s LEU 33 Cb -0.10 -2.36 0.17 0.00 0.01 0.00 0.00 46.19 43.92 1yuu s LEU 33 CO 0.17 0.01 1.22 -0.55 1.01 0.00 0.00 176.35 178.21 1yuu s SER 34 N 0.92 3.55 0.08 2.29 0.15 -1.26 -0.74 113.70 118.68 1yuu s SER 34 Ca 0.15 0.12 -0.23 0.00 0.70 0.00 0.00 55.95 56.69 1yuu s SER 34 Cb -0.14 -0.29 -0.14 0.00 -1.71 0.00 0.00 66.02 63.74 1yuu s SER 34 CO 0.06 -2.44 1.68 1.62 1.20 0.00 0.00 173.24 175.36 1yuu h VAL 35 N -1.29 1.06 0.35 4.45 3.04 -2.00 0.14 116.25 122.01 1yuu h VAL 35 Ca -0.42 -0.18 -0.02 0.00 -1.01 0.00 0.00 66.70 65.07 1yuu h VAL 35 Cb 1.25 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 1yuu h VAL 35 CO 0.40 0.05 -0.17 -1.13 -1.01 0.00 0.00 177.57 175.72 1yuu h ASN 36 N -0.02 -0.40 -0.85 3.17 -0.73 -1.97 0.13 115.58 114.90 1yuu h ASN 36 Ca 0.01 -0.09 0.15 0.00 1.87 0.00 0.00 56.30 58.25 1yuu h ASN 36 Cb 0.07 0.10 -0.15 0.00 0.27 0.00 0.00 38.32 38.61 1yuu h ASN 36 CO -0.00 -0.15 -0.26 1.21 -0.37 0.00 0.00 177.43 177.85 1yuu n GLU 37 N -5.22 -0.13 0.21 6.67 2.13 -1.14 0.05 120.64 123.21 1yuu n GLU 37 Ca -0.10 1.32 -0.15 0.00 0.66 0.00 0.00 57.16 58.88 1yuu n GLU 37 Cb 0.25 -1.96 -0.08 0.00 0.27 0.00 0.00 31.44 29.92 1yuu n GLU 37 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1yuu h PHE 38 N 0.00 -0.46 -0.86 4.31 3.04 -0.41 -3.05 116.94 119.51 1yuu h PHE 38 Ca 0.36 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.37 1yuu h PHE 38 Cb 0.57 0.15 -0.07 0.00 2.56 0.00 0.00 35.95 39.16 1yuu h PHE 38 CO -0.69 -0.23 0.52 -0.22 -2.02 0.00 0.00 178.31 175.67 1yuu h LYS 39 N -0.59 0.89 -0.81 1.11 3.64 0.17 -0.30 116.57 120.69 1yuu h LYS 39 Ca -0.05 -0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.39 1yuu h LYS 39 Cb 0.43 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 32.00 1yuu h LYS 39 CO 0.08 0.59 0.53 0.93 -2.27 0.00 0.00 179.45 179.31 1yuu h GLU 40 N 0.92 0.65 -0.09 1.90 4.39 -0.72 0.76 114.58 122.39 1yuu h GLU 40 Ca 0.39 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 60.03 1yuu h GLU 40 Cb 0.26 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1yuu h GLU 40 CO -0.20 0.43 -0.04 1.25 -1.16 0.00 0.00 179.01 179.29 1yuu h LEU 41 N 0.67 0.18 -0.56 1.33 6.46 -0.95 0.16 115.31 122.60 1yuu h LEU 41 Ca 0.38 -0.41 -0.11 0.00 -0.12 0.00 0.00 57.88 57.62 1yuu h LEU 41 Cb 0.57 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.43 1yuu h LEU 41 CO -0.15 0.55 -0.10 -0.37 -0.62 0.00 0.00 178.44 177.74 1yuu h VAL 42 N -0.19 1.27 0.25 1.05 -1.51 -1.25 0.01 116.25 115.88 1yuu h VAL 42 Ca 0.02 -1.27 -0.01 0.00 -1.23 0.00 0.00 66.70 64.21 1yuu h VAL 42 Cb 0.48 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1yuu h VAL 42 CO 0.01 0.45 -0.12 0.74 -1.23 0.00 0.00 177.57 177.42 1yuu h THR 43 N 0.93 0.80 0.04 7.19 2.02 -0.84 -3.26 112.91 119.79 1yuu h THR 43 Ca 0.14 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1yuu h THR 43 Cb 0.68 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1yuu h THR 43 CO 0.05 0.07 -0.02 -0.61 0.37 0.00 0.00 175.52 175.38 1yuu h GLN 44 N -0.50 -0.05 -0.98 6.66 4.15 -0.53 -3.41 115.11 120.44 1yuu h GLN 44 Ca -0.03 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.83 1yuu h GLN 44 Cb 0.38 0.01 -0.43 0.00 0.21 0.00 0.00 27.48 27.65 1yuu h GLN 44 CO 0.06 0.44 -0.80 1.04 -1.93 0.00 0.00 178.83 177.64 1yuu n GLN 45 N -4.75 3.53 -2.89 1.69 1.13 -0.02 -4.75 117.38 111.32 1yuu n GLN 45 Ca -0.06 -4.26 -0.12 0.00 -1.94 0.00 0.00 57.00 50.62 1yuu n GLN 45 Cb 0.25 -2.26 0.04 0.00 0.11 0.00 0.00 30.24 28.39 1yuu n GLN 45 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1yuu n LEU 46 N -0.64 -1.33 -0.12 1.08 7.94 -1.23 -4.89 117.00 117.81 1yuu n LEU 46 Ca 0.42 -4.11 -0.11 0.00 -1.11 0.00 0.00 56.01 51.10 1yuu n LEU 46 Cb 0.87 0.85 -0.02 0.00 0.53 0.00 0.00 43.42 45.66 1yuu n LEU 46 CO 0.37 2.14 0.75 1.55 -1.11 0.00 0.00 177.39 181.10 1yuu h PRO 47 N 3.11 0.66 0.00 1.96 0.13 -1.85 -3.37 132.00 132.63 1yuu h PRO 47 Ca -0.04 -0.23 -0.08 0.00 -0.87 0.00 0.00 66.00 64.79 1yuu h PRO 47 Cb 1.05 -0.05 -0.17 0.00 0.13 0.00 0.00 31.00 31.96 1yuu h PRO 47 CO 0.27 0.79 -0.67 1.58 -0.23 0.00 0.00 178.00 179.74 1yuu n HIS 48 N -4.45 0.00 0.00 1.56 -0.00 -1.26 -4.94 115.22 106.13 1yuu n HIS 48 Ca -0.02 -0.74 0.00 0.00 0.46 0.00 0.00 57.72 57.43 1yuu n HIS 48 Cb 0.30 -0.16 0.00 0.00 -0.12 0.00 0.00 29.99 30.02 1yuu n HIS 48 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 1yuu n LEU 49 N -0.26 0.01 0.00 0.27 7.94 -1.26 -5.02 117.00 118.68 1yuu n LEU 49 Ca 0.10 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.85 1yuu n LEU 49 Cb 0.88 -0.20 0.08 0.00 0.53 0.00 0.00 43.42 44.71 1yuu n LEU 49 CO -0.03 -0.20 0.35 0.18 -1.11 0.00 0.00 177.39 176.59 1yuu n LEU 50 N -1.90 0.00 0.00 -1.96 4.32 -1.26 -4.93 117.00 111.27 1yuu n LEU 50 Ca 0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 56.01 54.72 1yuu n LEU 50 Cb 0.00 -0.41 0.00 0.00 -1.62 0.00 0.00 43.42 41.39 1yuu n LEU 50 CO 0.00 -0.81 0.00 2.29 -1.22 0.00 0.00 177.39 177.65 1yuu n LYS 51 N -2.16 1.01 -1.95 3.23 2.85 -1.26 -4.98 118.16 114.90 1yuu n LYS 51 Ca 0.10 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.25 1yuu n LYS 51 Cb 0.36 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.72 1yuu n LYS 51 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1yuu n ASP 52 N -0.19 -3.90 0.00 -5.58 8.00 -1.26 -4.90 116.55 108.73 1yuu n ASP 52 Ca 0.00 0.08 0.06 0.00 0.71 0.00 0.00 54.79 55.64 1yuu n ASP 52 Cb 0.00 -2.91 0.27 0.00 -0.02 0.00 0.00 41.12 38.47 1yuu n ASP 52 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1yuu n VAL 53 N -3.60 1.04 0.30 2.53 0.24 -1.26 -1.98 118.33 115.59 1yuu n VAL 53 Ca -0.13 0.26 -0.12 0.00 -2.04 0.00 0.00 64.34 62.32 1yuu n VAL 53 Cb 0.53 -1.05 -0.06 0.00 -1.47 0.00 0.00 33.84 31.80 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 2.10 -0.79 -4.87 7.63 0.00 -2.02 -3.31 103.07 101.80 1yuu h GLY 54 Ca 0.00 0.29 -0.18 0.00 0.00 0.00 0.00 47.33 47.44 1yuu h GLY 54 CO 0.00 -0.29 0.92 -1.14 0.00 0.00 0.00 176.54 176.03 1yuu n SER 55 N -4.09 3.23 0.17 0.19 3.41 -0.84 -4.47 113.62 111.22 1yuu n SER 55 Ca -0.09 -2.09 0.04 0.00 -0.26 0.00 0.00 58.87 56.46 1yuu n SER 55 Cb 0.30 -0.82 0.23 0.00 -0.26 0.00 0.00 64.21 63.66 1yuu n SER 55 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1yuu h LEU 56 N 6.60 0.00 -0.55 1.04 7.12 -1.71 -3.20 115.31 124.61 1yuu h LEU 56 Ca 0.22 0.00 0.08 0.00 0.13 0.00 0.00 57.88 58.31 1yuu h LEU 56 Cb 0.53 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 40.59 1yuu h LEU 56 CO 0.74 0.46 0.18 -2.24 -0.13 0.00 0.00 178.44 177.45 1yuu h ASP 57 N 0.00 0.16 -0.24 1.25 2.03 -1.92 0.15 116.42 117.84 1yuu h ASP 57 Ca -0.00 0.08 0.06 0.00 -0.73 0.00 0.00 57.03 56.43 1yuu h ASP 57 Cb 1.07 0.07 -0.07 0.00 -0.83 0.00 0.00 39.33 39.56 1yuu h ASP 57 CO 0.06 0.11 -0.33 -0.08 -1.03 0.00 0.00 179.24 177.97 1yuu h GLU 58 N 0.35 -0.32 -0.25 4.15 4.81 -1.94 0.10 114.58 121.48 1yuu h GLU 58 Ca 0.28 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1yuu h GLU 58 Cb 0.33 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1yuu h GLU 58 CO -0.29 -0.22 0.13 -0.22 -0.73 0.00 0.00 179.01 177.68 1yuu h LYS 59 N -0.34 0.26 0.03 1.92 1.63 -1.44 0.18 116.57 118.82 1yuu h LYS 59 Ca 0.13 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.93 1yuu h LYS 59 Cb 0.54 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 32.06 1yuu h LYS 59 CO -0.43 0.17 -0.47 1.98 -3.45 0.00 0.00 179.45 177.26 1yuu h MET 60 N 0.27 -0.62 -0.74 1.90 4.05 -0.31 0.17 114.93 119.66 1yuu h MET 60 Ca 0.10 0.04 0.12 0.00 -0.28 0.00 0.00 59.70 59.68 1yuu h MET 60 Cb 0.02 0.14 -0.08 0.00 -0.80 0.00 0.00 31.60 30.88 1yuu h MET 60 CO -0.06 -0.41 0.33 0.87 0.23 0.00 0.00 176.91 177.86 1yuu h LYS 61 N -0.64 0.50 -0.58 0.39 1.57 -0.49 0.15 116.57 117.46 1yuu h LYS 61 Ca 0.03 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1yuu h LYS 61 Cb 0.70 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1yuu h LYS 61 CO -0.32 0.33 0.02 0.77 -0.57 0.00 0.00 179.45 179.68 1yuu h SER 62 N 0.51 0.97 0.04 0.86 0.02 -0.23 -3.30 113.55 112.41 1yuu h SER 62 Ca 0.39 -0.25 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 1yuu h SER 62 Cb 0.52 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.81 1yuu h SER 62 CO -0.35 1.01 -0.37 -0.07 -1.14 0.00 0.00 176.83 175.92 1yuu h LEU 63 N 0.92 0.26 -8.23 5.07 3.38 0.33 -3.43 115.31 113.60 1yuu h LEU 63 Ca 0.17 -0.87 -0.39 0.00 0.09 0.00 0.00 57.88 56.87 1yuu h LEU 63 Cb 0.50 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1yuu h LEU 63 CO 0.02 1.11 0.99 -0.62 0.09 0.00 0.00 178.44 180.03 1yuu s ASP 64 N -6.50 5.50 0.34 -0.43 -1.08 0.43 -4.84 116.67 110.09 1yuu s ASP 64 Ca -0.16 -0.73 0.06 0.00 -0.52 0.00 0.00 52.55 51.20 1yuu s ASP 64 Cb 0.00 -2.56 0.72 0.00 -1.46 0.00 0.00 42.92 39.63 1yuu s ASP 64 CO 0.76 -2.39 1.89 -0.37 0.52 0.00 0.00 175.17 175.58 1yuu h VAL 65 N 7.07 0.92 -0.02 1.11 -1.51 -1.85 0.90 116.25 122.87 1yuu h VAL 65 Ca 0.07 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 1yuu h VAL 65 Cb 1.02 0.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.24 1yuu h VAL 65 CO 1.26 0.15 -0.08 -0.46 -1.23 0.00 0.00 177.57 177.21 1yuu n ASN 66 N -4.54 2.44 -4.07 4.19 6.94 -1.26 -4.98 115.26 113.97 1yuu n ASN 66 Ca 0.16 -1.77 -0.28 0.00 -0.02 0.00 0.00 54.58 52.67 1yuu n ASN 66 Cb 0.36 0.07 -0.04 0.00 -2.36 0.00 0.00 39.78 37.81 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 0.81 -2.74 0.02 -3.83 6.02 0.31 -4.87 117.38 113.10 1yuu n GLN 67 Ca 0.14 0.33 0.12 0.00 -0.01 0.00 0.00 57.00 57.58 1yuu n GLN 67 Cb 0.52 -4.39 0.16 0.00 1.02 0.00 0.00 30.24 27.54 1yuu n GLN 67 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1yuu n ASP 68 N -2.92 0.61 0.00 1.08 5.68 -1.26 -4.98 116.55 114.76 1yuu n ASP 68 Ca -0.27 -0.15 0.00 0.00 -0.50 0.00 0.00 54.79 53.87 1yuu n ASP 68 Cb 0.66 0.38 0.00 0.00 -1.14 0.00 0.00 41.12 41.03 1yuu n ASP 68 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1yuu n SER 69 N -1.80 -3.12 -4.53 -1.12 3.41 -1.26 -4.99 113.62 100.21 1yuu n SER 69 Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.23 1yuu n SER 69 Cb 0.39 -1.71 -0.08 0.00 -0.26 0.00 0.00 64.21 62.55 1yuu n SER 69 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1yuu s GLU 70 N -0.81 3.40 -0.83 4.33 2.02 -1.26 -4.28 118.70 121.27 1yuu s GLU 70 Ca 0.00 -0.43 -0.25 0.00 0.02 0.00 0.00 54.97 54.31 1yuu s GLU 70 Cb 0.00 -3.88 0.04 0.00 0.10 0.00 0.00 34.13 30.40 1yuu s GLU 70 CO 0.00 -0.73 1.31 -0.51 0.02 0.00 0.00 175.26 175.34 1yuu s LEU 71 N 2.30 3.39 0.89 1.80 2.01 0.08 -4.91 118.68 124.23 1yuu s LEU 71 Ca 0.16 -0.83 -0.13 0.00 0.01 0.00 0.00 54.13 53.34 1yuu s LEU 71 Cb -0.16 -2.55 0.04 0.00 0.01 0.00 0.00 46.19 43.53 1yuu s LEU 71 CO 0.14 -1.69 0.63 0.29 1.01 0.00 0.00 176.35 176.72 1yuu n LYS 72 N 9.05 -0.14 -0.35 1.70 4.01 -1.26 -0.83 118.16 130.33 1yuu n LYS 72 Ca 0.12 0.01 0.02 0.00 -0.51 0.00 0.00 58.31 57.95 1yuu n LYS 72 Cb 0.49 -2.00 0.08 0.00 -0.51 0.00 0.00 35.03 33.10 1yuu n LYS 72 CO 0.00 0.00 0.00 1.97 -1.11 0.00 0.00 177.40 178.26 1yuu n PHE 73 N -3.42 0.16 0.02 2.13 1.16 -1.24 -0.05 117.46 116.20 1yuu n PHE 73 Ca 0.09 1.16 -0.07 0.00 -1.87 0.00 0.00 57.45 56.76 1yuu n PHE 73 Cb 0.52 -0.93 0.10 0.00 -1.61 0.00 0.00 39.48 37.56 1yuu n PHE 73 CO 0.00 0.00 0.00 -0.97 -1.87 0.00 0.00 176.76 173.92 1yuu h ASN 74 N 0.00 0.52 0.13 5.98 -1.24 -1.92 -0.24 115.58 118.81 1yuu h ASN 74 Ca 0.38 -0.25 -0.01 0.00 0.71 0.00 0.00 56.30 57.13 1yuu h ASN 74 Cb 0.62 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.52 1yuu h ASN 74 CO -0.95 0.92 -0.06 -0.33 -1.29 0.00 0.00 177.43 175.71 1yuu h GLU 75 N 0.38 -0.17 -0.21 6.67 5.08 -0.78 -3.10 114.58 122.46 1yuu h GLU 75 Ca 0.02 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1yuu h GLU 75 Cb 0.99 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 1yuu h GLU 75 CO 0.09 0.10 -0.04 -0.92 -1.00 0.00 0.00 179.01 177.24 1yuu h TYR 76 N -0.43 -0.08 -1.00 4.33 3.20 -0.74 -2.41 116.97 119.83 1yuu h TYR 76 Ca -0.02 0.02 0.33 0.00 3.14 0.00 0.00 58.73 62.20 1yuu h TYR 76 Cb 0.35 0.07 -0.18 0.00 1.54 0.00 0.00 36.73 38.50 1yuu h TYR 76 CO 0.01 -0.07 0.22 2.35 -1.64 0.00 0.00 178.16 179.03 1yuu h TRP 77 N 0.02 0.29 -0.99 -3.82 2.91 -1.00 0.60 115.95 113.94 1yuu h TRP 77 Ca 0.10 0.06 0.36 0.00 1.13 0.00 0.00 58.89 60.54 1yuu h TRP 77 Cb 0.14 0.04 -0.16 0.00 -0.51 0.00 0.00 29.16 28.67 1yuu h TRP 77 CO -0.21 -0.46 0.52 0.00 -1.03 0.00 0.00 178.44 177.26 1yuu h ARG 78 N 0.00 0.16 -0.65 2.65 3.08 -1.35 0.12 114.38 118.39 1yuu h ARG 78 Ca 0.70 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.87 1yuu h ARG 78 Cb 1.64 -0.04 -0.12 0.00 0.08 0.00 0.00 29.97 31.53 1yuu h ARG 78 CO -0.87 0.11 -0.22 1.25 -1.07 0.00 0.00 179.97 179.16 1yuu h LEU 79 N 0.17 -0.79 -2.06 3.04 5.85 -1.05 0.24 115.31 120.70 1yuu h LEU 79 Ca 0.77 0.21 0.07 0.00 0.84 0.00 0.00 57.88 59.77 1yuu h LEU 79 Cb 1.88 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 43.37 1yuu h LEU 79 CO -0.69 -0.25 0.18 0.40 -0.34 0.00 0.00 178.44 177.74 1yuu h ILE 80 N -0.05 0.78 0.01 4.05 2.04 -0.93 0.13 117.51 123.54 1yuu h ILE 80 Ca 0.30 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.13 1yuu h ILE 80 Cb 0.52 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1yuu h ILE 80 CO -0.69 0.00 -0.13 1.23 0.00 0.00 0.00 178.15 178.56 1yuu h GLY 81 N 0.00 0.08 -0.14 5.37 0.00 -0.63 -1.11 103.07 106.65 1yuu h GLY 81 Ca 0.11 -0.16 0.09 0.00 0.00 0.00 0.00 47.33 47.37 1yuu h GLY 81 CO -0.00 0.14 -0.25 0.83 0.00 0.00 0.00 176.54 177.26 1yuu h GLU 82 N -0.72 -0.15 -0.39 4.80 5.08 0.23 -0.06 114.58 123.37 1yuu h GLU 82 Ca -0.02 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1yuu h GLU 82 Cb 0.96 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.15 1yuu h GLU 82 CO 0.03 -0.10 -0.25 -0.07 -1.00 0.00 0.00 179.01 177.62 1yuu h LEU 83 N -0.15 -0.82 -2.40 1.33 3.38 -0.67 0.65 115.31 116.62 1yuu h LEU 83 Ca 0.21 0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.36 1yuu h LEU 83 Cb 0.49 0.42 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1yuu h LEU 83 CO -0.55 -0.27 0.19 0.00 0.09 0.00 0.00 178.44 177.91 1yuu h ALA 84 N 1.00 1.33 0.00 1.53 0.00 -0.35 -1.07 119.26 121.70 1yuu h ALA 84 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1yuu h ALA 84 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1yuu h ALA 84 CO -0.50 -0.21 -0.03 0.87 0.00 0.00 0.00 179.25 179.38 1yuu h LYS 85 N 0.00 0.00 -0.70 0.00 6.56 0.19 -3.42 116.57 119.20 1yuu h LYS 85 Ca 0.02 0.00 0.13 0.00 -1.06 0.00 0.00 60.65 59.75 1yuu h LYS 85 Cb 0.40 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.02 1yuu h LYS 85 CO -0.00 0.00 0.47 0.93 -2.06 0.00 0.00 179.45 178.79 1yuu h GLU 86 N -0.85 0.38 -0.92 3.15 4.39 0.94 0.57 114.58 122.24 1yuu h GLU 86 Ca 0.00 -0.02 0.30 0.00 0.34 0.00 0.00 59.36 59.98 1yuu h GLU 86 Cb 0.03 -0.09 -0.17 0.00 -0.10 0.00 0.00 28.75 28.42 1yuu h GLU 86 CO 0.00 0.25 0.18 1.51 -1.16 0.00 0.00 179.01 179.80 1yuu n ILE 87 N -4.47 -0.39 -0.06 3.13 0.13 -0.63 -3.25 119.36 113.82 1yuu n ILE 87 Ca 0.13 1.97 -0.09 0.00 -1.10 0.00 0.00 62.75 63.65 1yuu n ILE 87 Cb 0.49 -2.98 -0.03 0.00 -0.84 0.00 0.00 39.64 36.28 1yuu n ILE 87 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1yuu n ARG 88 N -5.26 0.41 -0.71 9.51 1.74 0.13 -4.78 116.66 117.71 1yuu n ARG 88 Ca 0.26 0.17 -0.15 0.00 -0.77 0.00 0.00 57.85 57.36 1yuu n ARG 88 Cb 0.87 -1.22 -0.06 0.00 -1.02 0.00 0.00 32.46 31.03 1yuu n ARG 88 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1yuu n LYS 89 N -4.19 1.73 0.20 5.56 4.81 0.15 -4.62 118.16 121.80 1yuu n LYS 89 Ca -0.16 -1.06 0.12 0.00 -0.87 0.00 0.00 58.31 56.34 1yuu n LYS 89 Cb 0.46 -2.14 0.17 0.00 0.02 0.00 0.00 35.03 33.54 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 5.12 0.00 0.00 1.64 3.64 -1.81 -3.41 116.57 121.75 1yuu h LYS 90 Ca 0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 1yuu h LYS 90 Cb 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1yuu h LYS 90 CO 0.89 0.00 0.00 1.17 -2.27 0.00 0.00 179.45 179.24 1yuu n LYS 91 N -3.00 0.00 -2.43 1.90 3.00 -1.26 -4.99 118.16 111.38 1yuu n LYS 91 Ca 0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.30 1yuu n LYS 91 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.56 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 -2.51 0.10 3.14 9.92 -1.26 -4.75 116.55 121.18 1yuu n ASP 92 Ca 0.00 -0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 1yuu n ASP 92 Cb 0.00 -1.44 0.00 0.00 -0.64 0.00 0.00 41.12 39.04 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 -1.07 -1.09 -0.00 0.64 7.94 -1.26 -5.03 117.00 117.13 1yuu n LEU 93 Ca -0.02 0.35 -0.02 0.00 -1.11 0.00 0.00 56.01 55.21 1yuu n LEU 93 Cb 0.52 1.19 -0.01 0.00 0.53 0.00 0.00 43.42 45.66 1yuu n LEU 93 CO 0.10 -0.38 -0.13 0.29 -1.11 0.00 0.00 177.39 176.16 1yuu n LYS 94 N -2.98 0.10 -0.29 1.96 5.02 -1.26 -5.14 118.16 115.56 1yuu n LYS 94 Ca 0.00 0.04 0.04 0.00 -2.02 0.00 0.00 58.31 56.37 1yuu n LYS 94 Cb 0.00 -0.52 -0.01 0.00 -0.02 0.00 0.00 35.03 34.48 1yuu n LYS 94 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1yuu n ILE 95 N -3.14 0.00 -3.70 -0.18 -6.64 -1.26 -4.93 119.36 99.52 1yuu n ILE 95 Ca -0.03 0.00 -0.11 0.00 -1.77 0.00 0.00 62.75 60.84 1yuu n ILE 95 Cb 0.10 -0.10 -0.12 0.00 -1.44 0.00 0.00 39.64 38.08 1yuu n ILE 95 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1yuu s ARG 96 N -0.62 0.27 0.03 6.28 1.04 -1.26 -5.03 118.95 119.66 1yuu s ARG 96 Ca 0.00 0.73 0.00 0.00 -1.04 0.00 0.00 55.73 55.42 1yuu s ARG 96 Cb 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 34.95 32.90 1yuu s ARG 96 CO 0.00 -0.20 0.00 1.17 -0.04 0.00 0.00 175.30 176.23 1yuu n LYS 97 N 4.60 0.00 -0.90 3.89 3.00 -1.26 -5.18 118.16 122.32 1yuu n LYS 97 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 1yuu n LYS 97 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 1yuu n LYS 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03