#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 -2.42 0.00 3.17 0.00 -1.26 -5.10 121.76 116.15 1yuu s ALA 2 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.77 1yuu s ALA 2 Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.44 1yuu s ALA 2 CO 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 175.76 174.69 1yuu n ALA 3 N -0.53 0.00 -3.37 0.00 0.00 -1.26 -5.09 120.51 110.27 1yuu n ALA 3 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.04 1yuu n ALA 3 Cb 0.63 0.00 -0.06 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 0.00 2.97 -2.20 0.00 0.00 -1.26 -5.03 120.64 115.12 1yuu n GLU 4 Ca 0.00 -4.62 -0.31 0.00 0.00 0.00 0.00 57.16 52.23 1yuu n GLU 4 Cb 0.00 -2.34 -0.04 0.00 0.00 0.00 0.00 31.44 29.06 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 -2.40 2.86 0.29 3.44 0.04 -1.26 -4.95 135.00 133.03 1yuu s PRO 5 Ca 0.36 -0.68 -0.29 0.00 0.04 0.00 0.00 61.00 60.43 1yuu s PRO 5 Cb 0.09 -5.18 -0.10 0.00 0.04 0.00 0.00 34.50 29.35 1yuu s PRO 5 CO -0.00 -3.12 1.44 -0.51 0.04 0.00 0.00 177.00 174.84 1yuu s LEU 6 N 8.69 4.38 1.08 -3.56 1.43 -1.26 -5.00 118.68 124.44 1yuu s LEU 6 Ca 0.63 2.77 -0.12 0.00 -1.03 0.00 0.00 54.13 56.38 1yuu s LEU 6 Cb -0.04 -3.64 0.23 0.00 0.03 0.00 0.00 46.19 42.78 1yuu s LEU 6 CO -0.01 -0.72 1.06 0.28 0.23 0.00 0.00 176.35 177.20 1yuu s THR 7 N -0.45 2.07 0.12 5.49 -1.32 -1.26 -4.61 115.64 115.68 1yuu s THR 7 Ca 0.56 0.02 -0.19 0.00 -1.21 0.00 0.00 61.69 60.87 1yuu s THR 7 Cb -0.43 -2.30 -0.06 0.00 -1.51 0.00 0.00 72.50 68.21 1yuu s THR 7 CO 0.49 -0.03 1.76 -0.08 -2.21 0.00 0.00 174.62 174.56 1yuu h GLU 8 N -2.24 0.22 -0.49 7.08 4.81 -1.99 0.16 114.58 122.13 1yuu h GLU 8 Ca -0.58 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 58.67 1yuu h GLU 8 Cb 1.33 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.62 1yuu h GLU 8 CO 0.54 0.15 0.27 -0.07 -0.73 0.00 0.00 179.01 179.16 1yuu h LEU 9 N 0.23 0.41 0.19 1.64 4.07 -1.99 0.47 115.31 120.33 1yuu h LEU 9 Ca 0.08 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1yuu h LEU 9 Cb 0.01 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.67 1yuu h LEU 9 CO -0.05 0.29 -0.18 -0.33 -1.08 0.00 0.00 178.44 177.08 1yuu h GLU 10 N 0.53 -0.39 -0.21 1.13 5.08 -1.75 0.38 114.58 119.35 1yuu h GLU 10 Ca 0.21 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.63 1yuu h GLU 10 Cb 0.08 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1yuu h GLU 10 CO -0.12 -0.26 0.00 1.05 -1.00 0.00 0.00 179.01 178.68 1yuu h GLU 11 N -0.41 0.07 -0.25 2.33 -0.00 -0.26 0.58 114.58 116.65 1yuu h GLU 11 Ca -0.00 -0.00 -0.08 0.00 -0.00 0.00 0.00 59.36 59.27 1yuu h GLU 11 Cb 0.38 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 29.11 1yuu h GLU 11 CO -0.04 0.05 -0.16 0.66 -0.00 0.00 0.00 179.01 179.52 1yuu h SER 12 N 0.07 0.57 -0.49 3.06 4.64 -0.83 0.11 113.55 120.68 1yuu h SER 12 Ca 0.10 -0.43 -0.05 0.00 -0.47 0.00 0.00 61.79 60.94 1yuu h SER 12 Cb 0.12 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 1yuu h SER 12 CO -0.16 0.88 0.14 0.16 -0.87 0.00 0.00 176.83 176.98 1yuu h ILE 13 N 0.27 1.22 -0.01 0.95 -0.00 -0.74 -0.96 117.51 118.24 1yuu h ILE 13 Ca 0.05 -0.79 0.01 0.00 -0.00 0.00 0.00 64.86 64.13 1yuu h ILE 13 Cb 0.68 0.66 -0.01 0.00 -0.00 0.00 0.00 36.82 38.15 1yuu h ILE 13 CO 0.04 0.30 -0.03 -0.08 -0.00 0.00 0.00 178.15 178.38 1yuu h GLU 14 N 0.80 -0.05 -0.86 0.16 4.81 -0.44 0.23 114.58 119.23 1yuu h GLU 14 Ca 0.18 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.45 1yuu h GLU 14 Cb 0.28 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 1yuu h GLU 14 CO -0.00 -0.03 0.57 0.00 -0.73 0.00 0.00 179.01 178.81 1yuu h THR 15 N -0.05 1.14 0.10 0.32 1.03 -0.04 0.17 112.91 115.59 1yuu h THR 15 Ca 0.02 -0.37 -0.27 0.00 -0.01 0.00 0.00 66.41 65.78 1yuu h THR 15 Cb 0.07 -0.02 0.01 0.00 -1.07 0.00 0.00 68.15 67.14 1yuu h THR 15 CO -0.04 0.20 -1.19 -0.37 -0.01 0.00 0.00 175.52 174.11 1yuu h VAL 16 N 1.07 1.39 -0.83 0.00 -1.51 -1.09 -3.00 116.25 112.28 1yuu h VAL 16 Ca 0.34 -2.70 0.03 0.00 -1.23 0.00 0.00 66.70 63.14 1yuu h VAL 16 Cb 0.03 2.74 -0.05 0.00 -2.13 0.00 0.00 31.29 31.89 1yuu h VAL 16 CO -0.10 0.80 0.54 0.58 -1.23 0.00 0.00 177.57 178.15 1yuu h VAL 17 N 0.18 1.15 -0.55 7.19 2.07 0.65 0.21 116.25 127.15 1yuu h VAL 17 Ca -0.15 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 1yuu h VAL 17 Cb 1.87 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1yuu h VAL 17 CO 0.21 0.19 0.09 0.00 0.02 0.00 0.00 177.57 178.08 1yuu h THR 18 N 1.06 1.25 -0.19 2.57 1.03 -0.79 0.21 112.91 118.05 1yuu h THR 18 Ca 0.32 -0.97 -0.01 0.00 -0.01 0.00 0.00 66.41 65.75 1yuu h THR 18 Cb -0.03 0.82 -0.01 0.00 -1.07 0.00 0.00 68.15 67.86 1yuu h THR 18 CO -0.10 0.35 0.10 0.74 -0.01 0.00 0.00 175.52 176.60 1yuu h THR 19 N 0.80 1.12 -0.29 0.00 2.02 -1.23 0.94 112.91 116.27 1yuu h THR 19 Ca 0.17 -0.33 0.06 0.00 0.77 0.00 0.00 66.41 67.07 1yuu h THR 19 Cb 0.42 0.99 -0.08 0.00 -1.74 0.00 0.00 68.15 67.74 1yuu h THR 19 CO 0.01 0.11 -0.42 0.15 0.37 0.00 0.00 175.52 175.75 1yuu h PHE 20 N 0.19 -1.20 -0.38 3.16 3.57 -0.49 -2.57 116.94 119.21 1yuu h PHE 20 Ca 0.07 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1yuu h PHE 20 Cb 0.09 0.57 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 1yuu h PHE 20 CO -0.03 -0.45 0.17 0.35 -2.23 0.00 0.00 178.31 176.12 1yuu h PHE 21 N -0.39 0.56 0.00 0.41 3.57 0.01 0.54 116.94 121.64 1yuu h PHE 21 Ca 0.11 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1yuu h PHE 21 Cb 0.60 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 1yuu h PHE 21 CO -0.56 0.49 -0.07 0.00 -2.23 0.00 0.00 178.31 175.94 1yuu h THR 22 N 0.48 0.64 0.25 4.41 1.03 -0.76 0.13 112.91 119.08 1yuu h THR 22 Ca 0.13 -0.27 -0.34 0.00 -0.01 0.00 0.00 66.41 65.92 1yuu h THR 22 Cb 0.15 1.17 0.04 0.00 -1.07 0.00 0.00 68.15 68.43 1yuu h THR 22 CO -0.01 0.06 -1.48 -0.26 -0.01 0.00 0.00 175.52 173.82 1yuu h PHE 23 N 0.00 0.95 -0.91 0.00 0.04 -0.89 -3.38 116.94 112.75 1yuu h PHE 23 Ca -0.00 -0.70 0.14 0.00 2.80 0.00 0.00 57.97 60.22 1yuu h PHE 23 Cb 0.16 -0.04 -0.07 0.00 2.20 0.00 0.00 35.95 38.20 1yuu h PHE 23 CO 0.00 1.55 0.59 0.00 -0.60 0.00 0.00 178.31 179.85 1yuu h ALA 24 N 0.18 1.79 0.00 2.45 0.00 0.27 0.54 119.26 124.49 1yuu h ALA 24 Ca -0.25 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1yuu h ALA 24 Cb 2.16 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.82 1yuu h ALA 24 CO 0.27 -0.04 -0.04 0.07 0.00 0.00 0.00 179.25 179.52 1yuu h ARG 25 N 0.73 0.00 0.00 0.00 -0.00 -1.42 -3.29 114.38 110.41 1yuu h ARG 25 Ca 0.46 0.00 0.01 0.00 -0.00 0.00 0.00 59.98 60.45 1yuu h ARG 25 Cb 0.71 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.66 1yuu h ARG 25 CO -0.22 0.04 -0.21 0.37 -0.00 0.00 0.00 179.97 179.94 1yuu h GLN 26 N 0.00 -0.26 -6.31 0.08 5.75 -1.07 -3.44 115.11 109.86 1yuu h GLN 26 Ca -0.00 0.02 -0.59 0.00 -0.15 0.00 0.00 58.65 57.93 1yuu h GLN 26 Cb 0.36 0.06 -0.20 0.00 1.07 0.00 0.00 27.48 28.76 1yuu h GLN 26 CO 0.00 -0.17 -0.82 -1.21 -2.65 0.00 0.00 178.83 173.98 1yuu s GLU 27 N -4.08 1.27 -1.11 1.69 2.02 -1.26 -4.97 118.70 112.26 1yuu s GLU 27 Ca -0.06 -1.31 -0.25 0.00 0.02 0.00 0.00 54.97 53.37 1yuu s GLU 27 Cb 0.03 -1.54 0.03 0.00 0.10 0.00 0.00 34.13 32.75 1yuu s GLU 27 CO 0.24 0.35 0.68 0.41 0.02 0.00 0.00 175.26 176.95 1yuu n GLY 28 N 0.75 -0.97 0.65 -1.39 0.00 -1.26 -4.45 105.19 98.51 1yuu n GLY 28 Ca -0.17 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -4.36 0.00 -0.35 1.61 3.00 -1.26 -4.68 116.66 110.61 1yuu n ARG 29 Ca -0.16 0.36 -0.04 0.00 -0.01 0.00 0.00 57.85 58.00 1yuu n ARG 29 Cb 0.60 -0.29 -0.06 0.00 0.00 0.00 0.00 32.46 32.71 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 0.83 0.71 0.06 5.56 2.85 -1.25 -3.15 118.16 123.77 1yuu n LYS 30 Ca 0.00 -0.35 0.00 0.00 -1.05 0.00 0.00 58.31 56.91 1yuu n LYS 30 Cb 0.00 -1.67 0.00 0.00 -0.65 0.00 0.00 35.03 32.71 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 2.81 -1.02 -4.72 -5.58 5.68 -1.24 -4.62 116.55 107.86 1yuu n ASP 31 Ca 0.15 0.33 -0.41 0.00 -0.50 0.00 0.00 54.79 54.36 1yuu n ASP 31 Cb 0.33 1.19 -0.04 0.00 -1.14 0.00 0.00 41.12 41.45 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 7.24 -0.18 -1.12 1.04 -1.19 -4.30 113.70 113.19 1yuu s SER 32 Ca 0.00 1.50 -0.12 0.00 0.48 0.00 0.00 55.95 57.81 1yuu s SER 32 Cb 0.00 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.56 1yuu s SER 32 CO 0.00 -0.15 0.22 -0.76 0.98 0.00 0.00 173.24 173.52 1yuu s LEU 33 N 0.67 4.22 0.61 2.42 2.01 0.02 -4.72 118.68 123.90 1yuu s LEU 33 Ca 0.45 0.37 -0.09 0.00 0.01 0.00 0.00 54.13 54.87 1yuu s LEU 33 Cb -0.20 -2.24 -0.02 0.00 0.01 0.00 0.00 46.19 43.74 1yuu s LEU 33 CO 0.24 0.13 0.97 -0.55 1.01 0.00 0.00 176.35 178.15 1yuu s SER 34 N 0.47 5.95 0.27 2.29 0.15 -1.26 -0.74 113.70 120.83 1yuu s SER 34 Ca 0.12 1.13 -0.02 0.00 0.70 0.00 0.00 55.95 57.89 1yuu s SER 34 Cb -0.12 -2.17 0.43 0.00 -1.71 0.00 0.00 66.02 62.45 1yuu s SER 34 CO 0.01 -0.95 1.89 1.62 1.20 0.00 0.00 173.24 177.01 1yuu h VAL 35 N -0.26 1.09 0.37 4.45 3.04 -1.99 0.74 116.25 123.69 1yuu h VAL 35 Ca -0.45 -0.40 -0.02 0.00 -1.01 0.00 0.00 66.70 64.82 1yuu h VAL 35 Cb 1.22 -0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.33 1yuu h VAL 35 CO 0.62 0.21 -0.18 -1.13 -1.01 0.00 0.00 177.57 176.09 1yuu h ASN 36 N 1.16 -0.42 -0.95 3.17 -1.24 -1.98 0.10 115.58 115.43 1yuu h ASN 36 Ca 0.42 -0.13 0.20 0.00 0.71 0.00 0.00 56.30 57.50 1yuu h ASN 36 Cb 0.16 0.11 -0.18 0.00 0.73 0.00 0.00 38.32 39.13 1yuu h ASN 36 CO -0.16 0.02 -0.21 -0.62 -1.29 0.00 0.00 177.43 175.17 1yuu n GLU 37 N -5.12 -0.08 0.09 6.67 1.02 -1.19 0.43 120.64 122.44 1yuu n GLU 37 Ca -0.09 1.48 -0.12 0.00 -0.02 0.00 0.00 57.16 58.41 1yuu n GLU 37 Cb 0.27 -2.22 -0.06 0.00 -0.02 0.00 0.00 31.44 29.41 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 -0.34 -0.87 -0.32 3.57 -0.70 -2.71 116.94 115.57 1yuu h PHE 38 Ca 0.47 0.01 0.07 0.00 3.53 0.00 0.00 57.97 62.04 1yuu h PHE 38 Cb 0.75 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.57 1yuu h PHE 38 CO -0.70 -0.20 0.57 -0.22 -2.23 0.00 0.00 178.31 175.53 1yuu h LYS 39 N -0.26 0.93 -0.73 1.11 3.64 0.26 -0.56 116.57 120.97 1yuu h LYS 39 Ca 0.02 -0.06 0.12 0.00 -1.27 0.00 0.00 60.65 59.46 1yuu h LYS 39 Cb 0.28 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 1yuu h LYS 39 CO -0.07 0.62 0.48 0.93 -2.27 0.00 0.00 179.45 179.14 1yuu h GLU 40 N 0.96 0.50 0.29 1.90 4.39 -0.37 0.52 114.58 122.77 1yuu h GLU 40 Ca 0.38 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.03 1yuu h GLU 40 Cb 0.24 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1yuu h GLU 40 CO -0.14 0.33 -0.14 1.25 -1.16 0.00 0.00 179.01 179.15 1yuu h LEU 41 N 0.52 -0.33 -0.52 1.33 7.12 -0.90 0.12 115.31 122.65 1yuu h LEU 41 Ca 0.35 -0.15 -0.10 0.00 0.13 0.00 0.00 57.88 58.11 1yuu h LEU 41 Cb 0.64 0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.83 1yuu h LEU 41 CO -0.12 -0.03 -0.06 -0.37 -0.13 0.00 0.00 178.44 177.73 1yuu h VAL 42 N -0.64 1.27 0.36 1.05 -1.51 -1.37 -0.87 116.25 114.54 1yuu h VAL 42 Ca -0.04 -1.20 -0.02 0.00 -1.23 0.00 0.00 66.70 64.22 1yuu h VAL 42 Cb 0.45 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1yuu h VAL 42 CO 0.06 0.42 -0.18 0.74 -1.23 0.00 0.00 177.57 177.39 1yuu h THR 43 N 0.83 0.65 -0.06 7.19 2.02 -0.91 -2.84 112.91 119.78 1yuu h THR 43 Ca 0.14 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.20 1yuu h THR 43 Cb 0.61 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1yuu h THR 43 CO 0.04 0.02 -0.11 -0.61 0.37 0.00 0.00 175.52 175.23 1yuu h GLN 44 N -0.53 0.18 -1.43 6.66 4.15 -0.52 -3.42 115.11 120.19 1yuu h GLN 44 Ca -0.05 -0.11 -0.24 0.00 0.77 0.00 0.00 58.65 59.02 1yuu h GLN 44 Cb 0.40 0.01 -0.24 0.00 0.21 0.00 0.00 27.48 27.87 1yuu h GLN 44 CO 0.08 0.68 -0.59 -0.65 -1.93 0.00 0.00 178.83 176.42 1yuu s GLN 45 N -4.02 0.86 -0.44 1.69 -0.21 -0.35 -5.00 119.66 112.18 1yuu s GLN 45 Ca -0.15 -0.90 0.07 0.00 0.02 0.00 0.00 55.36 54.40 1yuu s GLN 45 Cb 0.03 -0.36 0.33 0.00 1.00 0.00 0.00 33.01 34.01 1yuu s GLN 45 CO 0.72 -1.26 1.10 -0.11 -2.12 0.00 0.00 175.29 173.62 1yuu n LEU 46 N 3.73 -1.93 0.17 2.90 7.94 -1.07 -4.73 117.00 124.01 1yuu n LEU 46 Ca 0.16 -3.83 -0.14 0.00 -1.11 0.00 0.00 56.01 51.09 1yuu n LEU 46 Cb 0.52 0.83 -0.08 0.00 0.53 0.00 0.00 43.42 45.22 1yuu n LEU 46 CO 0.03 2.08 0.57 1.55 -1.11 0.00 0.00 177.39 180.51 1yuu h PRO 47 N 2.91 -0.43 -1.02 1.96 0.13 -1.94 -3.31 132.00 130.30 1yuu h PRO 47 Ca -0.09 0.03 -0.64 0.00 -0.87 0.00 0.00 66.00 64.43 1yuu h PRO 47 Cb 1.10 0.10 -0.34 0.00 0.13 0.00 0.00 31.00 31.99 1yuu h PRO 47 CO 0.16 -0.13 0.25 1.58 -0.23 0.00 0.00 178.00 179.63 1yuu n HIS 48 N -5.16 3.06 0.00 1.56 -0.00 -1.26 -4.57 115.22 108.85 1yuu n HIS 48 Ca -0.10 -2.71 0.00 0.00 0.46 0.00 0.00 57.72 55.37 1yuu n HIS 48 Cb 0.26 -1.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.14 1yuu n HIS 48 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1yuu n LEU 49 N -0.80 0.00 -3.07 0.27 4.32 -1.25 -4.94 117.00 111.54 1yuu n LEU 49 Ca 0.55 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 56.19 1yuu n LEU 49 Cb 0.73 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.50 1yuu n LEU 49 CO 0.62 0.00 2.09 0.18 -1.22 0.00 0.00 177.39 179.06 1yuu n LEU 50 N 0.00 7.40 -4.69 2.23 4.77 -1.26 -4.83 117.00 120.62 1yuu n LEU 50 Ca 0.00 -4.53 -0.32 0.00 -0.03 0.00 0.00 56.01 51.12 1yuu n LEU 50 Cb 0.00 -1.32 0.14 0.00 -2.33 0.00 0.00 43.42 39.91 1yuu n LEU 50 CO 0.00 1.93 0.73 -1.59 -1.33 0.00 0.00 177.39 177.14 1yuu s LYS 51 N -1.29 1.43 0.00 3.23 0.00 -1.26 -4.09 119.74 117.76 1yuu s LYS 51 Ca 0.56 1.66 0.00 0.00 0.00 0.00 0.00 55.97 58.20 1yuu s LYS 51 Cb 0.26 -1.76 0.00 0.00 0.00 0.00 0.00 37.83 36.33 1yuu s LYS 51 CO -0.14 -2.35 0.00 -0.25 0.00 0.00 0.00 175.35 172.61 1yuu n ASP 52 N -3.65 -1.58 -0.81 0.03 8.00 -1.26 -4.99 116.55 112.29 1yuu n ASP 52 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1yuu n ASP 52 Cb 0.51 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 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 -1.78 0.39 0.00 2.53 0.24 -1.26 -3.56 118.33 114.89 1yuu n VAL 53 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1yuu n VAL 53 Cb 0.39 -0.62 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 1yuu n VAL 53 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yuu n GLY 54 N 0.50 -0.11 2.40 7.63 0.00 -1.26 -4.26 105.19 110.09 1yuu n GLY 54 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1yuu n GLY 54 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1yuu n SER 55 N -0.97 3.84 0.15 1.61 7.64 -1.23 -4.57 113.62 120.08 1yuu n SER 55 Ca 0.00 -2.17 0.15 0.00 1.01 0.00 0.00 58.87 57.86 1yuu n SER 55 Cb 0.00 -0.93 0.72 0.00 -1.01 0.00 0.00 64.21 62.99 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 6.76 0.00 -1.66 -3.43 7.12 -1.78 0.24 115.31 122.57 1yuu h LEU 56 Ca 0.28 0.00 0.35 0.00 0.13 0.00 0.00 57.88 58.65 1yuu h LEU 56 Cb 0.53 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.58 1yuu h LEU 56 CO 0.85 0.00 0.83 -2.24 -0.13 0.00 0.00 178.44 177.75 1yuu h ASP 57 N 0.00 0.20 0.03 1.25 2.03 -1.95 0.11 116.42 118.09 1yuu h ASP 57 Ca 0.12 0.06 0.02 0.00 -0.73 0.00 0.00 57.03 56.49 1yuu h ASP 57 Cb 0.53 0.03 -0.05 0.00 -0.83 0.00 0.00 39.33 39.01 1yuu h ASP 57 CO -0.00 -0.01 -0.49 -0.08 -1.03 0.00 0.00 179.24 177.63 1yuu h GLU 58 N 0.16 -0.61 -0.29 4.15 4.81 -1.33 -0.48 114.58 120.98 1yuu h GLU 58 Ca 0.66 0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.76 1yuu h GLU 58 Cb 2.18 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 31.70 1yuu h GLU 58 CO -0.19 -0.41 -0.49 -0.22 -0.73 0.00 0.00 179.01 176.97 1yuu h LYS 59 N -0.64 0.80 -0.18 1.92 1.63 -1.05 -0.28 116.57 118.77 1yuu h LYS 59 Ca 0.01 -0.48 0.05 0.00 -0.85 0.00 0.00 60.65 59.38 1yuu h LYS 59 Cb 0.67 0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 32.27 1yuu h LYS 59 CO -0.31 1.11 -0.41 1.98 -3.45 0.00 0.00 179.45 178.36 1yuu h MET 60 N 0.63 -0.43 -0.52 1.90 4.05 -0.86 0.24 114.93 119.94 1yuu h MET 60 Ca 0.03 0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.43 1yuu h MET 60 Cb 1.07 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.95 1yuu h MET 60 CO 0.11 -0.29 0.14 0.87 0.23 0.00 0.00 176.91 177.97 1yuu h LYS 61 N -0.45 0.78 -0.30 0.39 1.57 -0.89 0.15 116.57 117.82 1yuu h LYS 61 Ca 0.09 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1yuu h LYS 61 Cb 0.61 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1yuu h LYS 61 CO -0.43 0.70 0.20 0.77 -0.57 0.00 0.00 179.45 180.12 1yuu h SER 62 N 0.76 0.29 0.00 0.86 0.02 0.25 -3.28 113.55 112.45 1yuu h SER 62 Ca 0.17 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.97 1yuu h SER 62 Cb 0.26 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1yuu h SER 62 CO -0.00 0.20 -0.86 -0.07 -1.14 0.00 0.00 176.83 174.96 1yuu h LEU 63 N 0.34 0.00 -6.18 5.07 3.38 0.53 -3.42 115.31 115.03 1yuu h LEU 63 Ca 0.12 -0.52 -0.67 0.00 0.09 0.00 0.00 57.88 56.90 1yuu h LEU 63 Cb 0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.83 1yuu h LEU 63 CO -0.03 1.26 2.74 -0.67 0.09 0.00 0.00 178.44 181.84 1yuu n ASP 64 N -4.51 3.39 -0.29 -0.43 2.03 0.42 -4.80 116.55 112.36 1yuu n ASP 64 Ca -0.23 -2.74 0.08 0.00 0.52 0.00 0.00 54.79 52.42 1yuu n ASP 64 Cb 0.56 -1.38 0.24 0.00 -0.72 0.00 0.00 41.12 39.82 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 4.18 0.68 -0.00 5.18 -1.51 -1.82 0.20 116.25 123.16 1yuu h VAL 65 Ca 0.51 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.78 1yuu h VAL 65 Cb 0.63 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.85 1yuu h VAL 65 CO 1.91 0.10 -0.14 -0.46 -1.23 0.00 0.00 177.57 177.75 1yuu n ASN 66 N -4.91 0.35 -3.62 4.19 6.94 -1.26 -4.97 115.26 111.98 1yuu n ASN 66 Ca 0.18 -0.29 -0.29 0.00 -0.02 0.00 0.00 54.58 54.16 1yuu n ASN 66 Cb 0.47 -0.12 0.05 0.00 -2.36 0.00 0.00 39.78 37.82 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 -1.16 -1.36 0.00 -3.83 1.13 0.72 -4.94 117.38 107.93 1yuu n GLN 67 Ca 0.12 0.51 0.09 0.00 -1.94 0.00 0.00 57.00 55.78 1yuu n GLN 67 Cb 0.30 -4.35 -0.10 0.00 0.11 0.00 0.00 30.24 26.20 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 -2.75 1.04 0.00 1.08 5.68 -1.26 -4.99 116.55 115.35 1yuu n ASP 68 Ca -0.09 -1.02 0.00 0.00 -0.50 0.00 0.00 54.79 53.18 1yuu n ASP 68 Cb 0.59 0.94 0.00 0.00 -1.14 0.00 0.00 41.12 41.51 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 -1.30 0.00 -4.40 -1.12 3.41 -1.26 -5.03 113.62 103.92 1yuu n SER 69 Ca 0.04 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.31 1yuu n SER 69 Cb 0.32 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.14 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 -0.04 3.52 -0.76 4.33 2.02 -1.26 -4.49 118.70 122.02 1yuu s GLU 70 Ca 0.00 -0.57 -0.24 0.00 0.02 0.00 0.00 54.97 54.18 1yuu s GLU 70 Cb 0.00 -2.98 0.06 0.00 0.10 0.00 0.00 34.13 31.31 1yuu s GLU 70 CO 0.00 0.01 1.14 -0.51 0.02 0.00 0.00 175.26 175.92 1yuu s LEU 71 N 0.97 3.96 0.84 1.80 2.01 0.08 -4.91 118.68 123.44 1yuu s LEU 71 Ca 0.00 -0.98 -0.11 0.00 0.01 0.00 0.00 54.13 53.05 1yuu s LEU 71 Cb -0.15 -2.48 0.10 0.00 0.01 0.00 0.00 46.19 43.67 1yuu s LEU 71 CO 0.01 -1.54 1.09 -1.59 1.01 0.00 0.00 176.35 175.33 1yuu s LYS 72 N 4.56 1.69 0.23 1.70 -2.85 -1.26 -0.80 119.74 123.00 1yuu s LYS 72 Ca 0.30 0.98 -0.13 0.00 -1.00 0.00 0.00 55.97 56.12 1yuu s LYS 72 Cb -0.11 -1.85 0.30 0.00 -2.06 0.00 0.00 37.83 34.11 1yuu s LYS 72 CO 0.07 -1.99 1.44 1.19 0.10 0.00 0.00 175.35 176.16 1yuu n PHE 73 N -3.73 0.14 -0.10 1.78 3.01 -1.26 -0.14 117.46 117.15 1yuu n PHE 73 Ca 0.08 1.13 -0.10 0.00 1.01 0.00 0.00 57.45 59.57 1yuu n PHE 73 Cb 0.54 -0.91 -0.03 0.00 -0.01 0.00 0.00 39.48 39.07 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 0.49 -0.46 4.37 -1.24 -1.97 0.21 115.58 116.98 1yuu h ASN 74 Ca 0.37 -0.25 0.00 0.00 0.71 0.00 0.00 56.30 57.13 1yuu h ASN 74 Cb 0.60 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.49 1yuu h ASN 74 CO -0.93 0.62 0.31 -0.33 -1.29 0.00 0.00 177.43 175.81 1yuu h GLU 75 N 0.34 0.61 -0.30 6.67 5.08 -0.87 -1.24 114.58 124.86 1yuu h GLU 75 Ca 0.09 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1yuu h GLU 75 Cb 0.34 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1yuu h GLU 75 CO 0.01 0.40 0.01 -0.92 -1.00 0.00 0.00 179.01 177.51 1yuu h TYR 76 N 0.63 0.58 -0.90 4.33 3.20 -0.72 -2.31 116.97 121.77 1yuu h TYR 76 Ca 0.17 -0.10 0.23 0.00 3.14 0.00 0.00 58.73 62.17 1yuu h TYR 76 Cb -0.07 -0.15 -0.16 0.00 1.54 0.00 0.00 36.73 37.88 1yuu h TYR 76 CO -0.04 0.65 0.01 2.35 -1.64 0.00 0.00 178.16 179.49 1yuu h TRP 77 N 0.33 -0.07 -0.96 -3.82 7.01 -0.19 0.13 115.95 118.38 1yuu h TRP 77 Ca 0.09 0.07 0.28 0.00 2.11 0.00 0.00 58.89 61.43 1yuu h TRP 77 Cb 0.42 0.18 -0.18 0.00 -2.10 0.00 0.00 29.16 27.47 1yuu h TRP 77 CO 0.03 -0.35 0.08 0.54 -2.79 0.00 0.00 178.44 175.95 1yuu n ARG 78 N -5.43 -0.07 -0.20 2.65 1.74 -0.50 0.65 116.66 115.49 1yuu n ARG 78 Ca 0.19 1.42 -0.09 0.00 -0.77 0.00 0.00 57.85 58.60 1yuu n ARG 78 Cb 0.63 -2.29 -0.04 0.00 -1.02 0.00 0.00 32.46 29.73 1yuu n ARG 78 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1yuu h LEU 79 N 0.00 -1.54 -0.83 0.55 5.85 -1.10 0.48 115.31 118.72 1yuu h LEU 79 Ca 0.61 0.25 -0.02 0.00 0.84 0.00 0.00 57.88 59.56 1yuu h LEU 79 Cb 1.32 0.69 -0.04 0.00 0.37 0.00 0.00 40.66 43.00 1yuu h LEU 79 CO -0.88 -0.34 0.44 0.40 -0.34 0.00 0.00 178.44 177.72 1yuu h ILE 80 N -0.24 1.25 -0.63 4.05 5.03 0.09 0.25 117.51 127.30 1yuu h ILE 80 Ca 0.17 -0.64 0.10 0.00 -0.12 0.00 0.00 64.86 64.37 1yuu h ILE 80 Cb 0.56 0.15 -0.12 0.00 -3.03 0.00 0.00 36.82 34.39 1yuu h ILE 80 CO -0.68 0.28 -0.37 1.23 -0.68 0.00 0.00 178.15 177.93 1yuu h GLY 81 N 1.17 -0.21 1.28 5.37 0.00 0.13 -2.71 103.07 108.10 1yuu h GLY 81 Ca 0.29 0.49 -0.23 0.00 0.00 0.00 0.00 47.33 47.88 1yuu h GLY 81 CO -0.04 -0.19 -0.85 0.83 0.00 0.00 0.00 176.54 176.28 1yuu h GLU 82 N -0.17 0.69 -0.80 4.80 4.39 0.13 -3.12 114.58 120.51 1yuu h GLU 82 Ca 0.23 -0.62 0.13 0.00 0.34 0.00 0.00 59.36 59.44 1yuu h GLU 82 Cb 0.56 0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 29.27 1yuu h GLU 82 CO -0.71 1.22 0.40 -0.07 -1.16 0.00 0.00 179.01 178.69 1yuu h LEU 83 N 0.44 0.48 -2.31 1.33 3.38 -0.26 0.37 115.31 118.74 1yuu h LEU 83 Ca -0.07 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1yuu h LEU 83 Cb 1.48 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 1yuu h LEU 83 CO 0.17 0.22 0.15 0.00 0.09 0.00 0.00 178.44 179.07 1yuu h ALA 84 N 1.52 1.68 0.00 1.53 0.00 -1.45 0.14 119.26 122.69 1yuu h ALA 84 Ca 0.42 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 1yuu h ALA 84 Cb 0.56 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1yuu h ALA 84 CO -0.34 -0.22 -0.27 -0.22 0.00 0.00 0.00 179.25 178.20 1yuu h LYS 85 N 0.00 0.00 -0.17 0.00 3.64 -0.55 -3.40 116.57 116.08 1yuu h LYS 85 Ca 0.06 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.49 1yuu h LYS 85 Cb 0.37 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1yuu h LYS 85 CO -0.00 0.28 0.17 0.93 -2.27 0.00 0.00 179.45 178.56 1yuu h GLU 86 N -1.00 0.00 -1.51 1.90 4.39 0.02 0.14 114.58 118.52 1yuu h GLU 86 Ca -0.04 0.00 0.46 0.00 0.34 0.00 0.00 59.36 60.12 1yuu h GLU 86 Cb 0.45 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.00 1yuu h GLU 86 CO -0.02 0.00 1.03 0.97 -1.16 0.00 0.00 179.01 179.83 1yuu h ILE 87 N 0.00 0.14 0.00 3.13 6.09 -0.95 0.65 117.51 126.56 1yuu h ILE 87 Ca 0.08 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.55 1yuu h ILE 87 Cb 0.42 0.08 0.00 0.00 0.47 0.00 0.00 36.82 37.79 1yuu h ILE 87 CO -0.00 0.01 0.00 -2.11 -3.07 0.00 0.00 178.15 172.98 1yuu n ARG 88 N -4.38 2.12 -0.27 2.19 -4.01 -0.08 -4.77 116.66 107.47 1yuu n ARG 88 Ca 0.38 -0.13 0.11 0.00 -1.04 0.00 0.00 57.85 57.17 1yuu n ARG 88 Cb 1.58 -0.51 0.25 0.00 -3.04 0.00 0.00 32.46 30.74 1yuu n ARG 88 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 1yuu n LYS 89 N -0.34 2.59 -0.25 2.89 4.81 0.28 -4.88 118.16 123.26 1yuu n LYS 89 Ca 0.00 -2.41 0.16 0.00 -0.87 0.00 0.00 58.31 55.19 1yuu n LYS 89 Cb 0.04 -1.50 0.30 0.00 0.02 0.00 0.00 35.03 33.89 1yuu n LYS 89 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1yuu n LYS 90 N 1.44 -0.05 -2.74 1.64 0.00 0.16 -0.91 118.16 117.69 1yuu n LYS 90 Ca 0.21 1.09 -0.09 0.00 0.00 0.00 0.00 58.31 59.52 1yuu n LYS 90 Cb 0.59 -1.81 0.09 0.00 0.00 0.00 0.00 35.03 33.89 1yuu n LYS 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1yuu n LYS 91 N -4.92 1.07 -0.01 1.64 5.02 -1.26 -4.81 118.16 114.88 1yuu n LYS 91 Ca 0.21 -2.00 -0.00 0.00 -2.02 0.00 0.00 58.31 54.50 1yuu n LYS 91 Cb 0.71 -0.80 -0.00 0.00 -0.02 0.00 0.00 35.03 34.92 1yuu n LYS 91 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1yuu n ASP 92 N 0.09 -0.03 0.14 4.39 8.00 -0.09 -0.44 116.55 128.61 1yuu n ASP 92 Ca 0.05 0.25 0.19 0.00 0.71 0.00 0.00 54.79 55.99 1yuu n ASP 92 Cb 0.74 -0.11 0.77 0.00 -0.02 0.00 0.00 41.12 42.50 1yuu n ASP 92 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 1yuu h LEU 93 N 0.00 0.00 0.00 0.64 -0.00 -1.98 -3.06 115.31 110.91 1yuu h LEU 93 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.88 1yuu h LEU 93 Cb 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.67 1yuu h LEU 93 CO -0.03 0.00 -0.63 0.29 -0.00 0.00 0.00 178.44 178.08 1yuu n LYS 94 N -3.62 0.31 -3.84 0.17 4.76 -0.16 -4.97 118.16 110.81 1yuu n LYS 94 Ca 0.05 0.12 -0.33 0.00 -2.87 0.00 0.00 58.31 55.29 1yuu n LYS 94 Cb 0.55 -1.05 -0.12 0.00 -1.84 0.00 0.00 35.03 32.57 1yuu n LYS 94 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1yuu s ILE 95 N -2.53 3.12 -0.99 -0.18 1.01 0.42 -5.01 121.20 117.04 1yuu s ILE 95 Ca -0.17 -3.25 -0.24 0.00 0.00 0.00 0.00 60.65 56.99 1yuu s ILE 95 Cb 0.03 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 1yuu s ILE 95 CO 0.25 -0.85 1.83 0.00 0.00 0.00 0.00 174.94 176.18 1yuu s ARG 96 N -0.30 2.83 -0.30 2.79 3.03 -1.22 -4.05 118.95 121.72 1yuu s ARG 96 Ca 0.18 -0.68 -0.22 0.00 2.03 0.00 0.00 55.73 57.04 1yuu s ARG 96 Cb -0.22 -5.17 0.18 0.00 -1.03 0.00 0.00 34.95 28.71 1yuu s ARG 96 CO -0.02 -3.18 1.31 0.21 -1.13 0.00 0.00 175.30 172.48 1yuu s LYS 97 N 6.38 0.14 0.00 3.89 2.20 -1.26 -5.11 119.74 125.98 1yuu s LYS 97 Ca 0.64 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.44 1yuu s LYS 97 Cb -0.04 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.34 1yuu s LYS 97 CO -0.00 -0.02 0.00 1.17 -0.36 0.00 0.00 175.35 176.14