#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roe s LEU 2 N 0.00 2.26 -0.12 -0.89 1.43 -0.78 -4.98 118.68 115.60 2roe s LEU 2 Ca 0.00 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 2roe s LEU 2 Cb 0.00 -0.41 -0.01 0.00 0.03 0.00 0.00 46.19 45.80 2roe s LEU 2 CO 0.00 -0.11 -0.16 -0.54 0.23 0.00 0.00 176.35 175.77 2roe s LYS 3 N -1.64 3.25 0.08 1.70 3.01 -1.26 -1.51 119.74 123.36 2roe s LYS 3 Ca -0.04 -0.74 0.04 0.00 -1.01 0.00 0.00 55.97 54.22 2roe s LYS 3 Cb -0.10 -2.52 -0.03 0.00 -1.01 0.00 0.00 37.83 34.17 2roe s LYS 3 CO 0.02 0.22 -0.12 -0.51 0.51 0.00 0.00 175.35 175.47 2roe s LEU 4 N 0.31 2.31 -0.18 3.17 1.43 -1.20 -1.16 118.68 123.36 2roe s LEU 4 Ca -0.13 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 2roe s LEU 4 Cb -0.16 -0.41 0.01 0.00 0.03 0.00 0.00 46.19 45.66 2roe s LEU 4 CO 0.06 -0.15 -0.17 -0.75 0.23 0.00 0.00 176.35 175.57 2roe s LYS 5 N -2.04 3.07 -0.11 1.70 2.47 0.54 -0.97 119.74 124.39 2roe s LYS 5 Ca -0.01 -0.80 -0.05 0.00 -1.56 0.00 0.00 55.97 53.56 2roe s LYS 5 Cb -0.08 -2.63 -0.04 0.00 -1.46 0.00 0.00 37.83 33.63 2roe s LYS 5 CO 0.01 -0.17 0.07 0.08 0.16 0.00 0.00 175.35 175.50 2roe s VAL 6 N 1.24 4.91 -0.26 4.02 1.01 -0.72 -0.80 120.40 129.80 2roe s VAL 6 Ca 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 2roe s VAL 6 Cb -0.14 -3.12 0.09 0.00 0.00 0.00 0.00 36.38 33.21 2roe s VAL 6 CO -0.10 0.60 0.10 -0.70 0.00 0.00 0.00 175.10 175.00 2roe s GLU 7 N -0.81 0.38 0.00 2.72 2.12 0.23 -4.32 118.70 119.01 2roe s GLU 7 Ca 0.13 -0.59 0.00 0.00 0.36 0.00 0.00 54.97 54.87 2roe s GLU 7 Cb -0.12 -1.62 0.00 0.00 0.26 0.00 0.00 34.13 32.66 2roe s GLU 7 CO 0.03 -0.90 0.00 0.41 -0.54 0.00 0.00 175.26 174.25 2roe n GLY 8 N 5.12 0.22 3.71 -1.50 0.00 -1.26 -2.44 105.19 109.04 2roe n GLY 8 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2roe n GLY 8 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2roe s MET 9 N 0.00 4.47 -0.01 1.61 -1.94 -1.26 -4.92 119.30 117.24 2roe s MET 9 Ca 0.00 1.70 0.02 0.00 -1.71 0.00 0.00 55.69 55.69 2roe s MET 9 Cb 0.00 -3.36 0.02 0.00 2.01 0.00 0.00 34.83 33.50 2roe s MET 9 CO 0.00 -0.20 0.78 -2.37 -0.01 0.00 0.00 175.02 173.23 2roe n THR 10 N 3.83 0.27 -3.65 2.05 5.66 -1.26 -5.04 114.28 116.13 2roe n THR 10 Ca 0.08 -0.30 -0.09 0.00 -3.05 0.00 0.00 64.05 60.69 2roe n THR 10 Cb 0.47 0.67 -0.02 0.00 -1.55 0.00 0.00 70.33 69.90 2roe n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2roe h ASN 12 N 2.00 0.37 0.74 0.00 2.35 -2.01 -1.42 115.58 117.61 2roe h ASN 12 Ca -0.26 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.40 2roe h ASN 12 Cb 1.27 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 2roe h ASN 12 CO 0.30 0.33 -0.29 -0.74 -1.65 0.00 0.00 177.43 175.38 2roe h HIS 13 N 0.42 0.00 -0.08 1.19 2.76 -2.00 -2.96 115.15 114.47 2roe h HIS 13 Ca 0.11 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.22 2roe h HIS 13 Cb 0.07 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.03 2roe h HIS 13 CO 0.00 0.29 -0.18 0.00 -1.30 0.00 0.00 177.93 176.74 2roe h VAL 15 N -0.21 0.29 -0.50 0.00 2.07 -1.45 -1.55 116.25 114.90 2roe h VAL 15 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2roe h VAL 15 Cb 0.77 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2roe h VAL 15 CO 0.04 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.96 2roe h MET 16 N -0.66 0.51 0.09 1.57 -0.00 -1.61 0.40 114.93 115.24 2roe h MET 16 Ca -0.00 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.70 59.66 2roe h MET 16 Cb 0.62 -0.11 0.00 0.00 -0.00 0.00 0.00 31.60 32.11 2roe h MET 16 CO -0.11 0.34 -0.04 0.00 -0.00 0.00 0.00 176.91 177.09 2roe h ALA 17 N 1.72 -0.12 -0.93 -3.00 0.00 -1.14 -2.38 119.26 113.40 2roe h ALA 17 Ca 0.21 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2roe h ALA 17 Cb 0.17 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 2roe h ALA 17 CO -0.05 -0.48 0.61 0.28 0.00 0.00 0.00 179.25 179.61 2roe h VAL 18 N -0.31 1.14 -0.13 0.00 2.07 -0.48 -0.26 116.25 118.28 2roe h VAL 18 Ca -0.01 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.14 2roe h VAL 18 Cb 0.26 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.90 2roe h VAL 18 CO 0.02 0.21 -0.05 0.74 0.02 0.00 0.00 177.57 178.51 2roe h THR 19 N 1.14 0.83 -0.30 2.57 2.02 -0.68 -0.65 112.91 117.85 2roe h THR 19 Ca 0.38 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.41 2roe h THR 19 Cb 0.06 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2roe h THR 19 CO -0.12 0.00 -0.42 0.11 0.37 0.00 0.00 175.52 175.46 2roe h LYS 20 N -0.03 0.74 -0.73 6.66 1.79 -0.90 -1.85 116.57 122.25 2roe h LYS 20 Ca 0.07 -0.39 0.07 0.00 -2.18 0.00 0.00 60.65 58.21 2roe h LYS 20 Cb 0.13 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.73 2roe h LYS 20 CO -0.15 1.01 0.41 0.00 -1.08 0.00 0.00 179.45 179.65 2roe h ALA 21 N 0.93 1.00 -0.06 3.86 0.00 -0.64 -0.74 119.26 123.61 2roe h ALA 21 Ca 0.04 0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 2roe h ALA 21 Cb 0.97 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.64 2roe h ALA 21 CO 0.09 0.08 -0.82 -0.07 0.00 0.00 0.00 179.25 178.54 2roe h LEU 22 N 0.74 0.83 -1.49 0.00 3.38 -1.04 -3.24 115.31 114.49 2roe h LEU 22 Ca 0.33 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2roe h LEU 22 Cb 0.24 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2roe h LEU 22 CO -0.20 1.40 0.00 0.11 0.09 0.00 0.00 178.44 179.84 2roe h LYS 23 N 0.33 0.00 0.00 1.13 1.57 -0.44 -2.37 116.57 116.80 2roe h LYS 23 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2roe h LYS 23 Cb 1.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.78 2roe h LYS 23 CO 0.16 0.00 0.00 0.36 -0.57 0.00 0.00 179.45 179.40 2roe n LYS 24 N -2.54 0.19 -2.24 3.15 2.85 -0.38 -4.72 118.16 114.47 2roe n LYS 24 Ca -0.00 0.24 -0.42 0.00 -1.05 0.00 0.00 58.31 57.08 2roe n LYS 24 Cb 0.15 -1.76 -0.03 0.00 -0.65 0.00 0.00 35.03 32.73 2roe n LYS 24 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2roe s VAL 25 N -3.14 3.51 -0.27 0.58 1.01 -0.89 -4.94 120.40 116.26 2roe s VAL 25 Ca 0.09 1.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.87 2roe s VAL 25 Cb 0.12 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 2roe s VAL 25 CO 0.51 0.09 1.84 -2.16 0.00 0.00 0.00 175.10 175.38 2roe s PRO 26 N 1.05 3.44 0.00 2.72 0.04 -1.26 -1.62 135.00 139.37 2roe s PRO 26 Ca 0.63 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2roe s PRO 26 Cb -0.35 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.00 2roe s PRO 26 CO 0.30 -1.73 0.00 0.41 0.04 0.00 0.00 177.00 176.02 2roe n GLY 27 N 5.28 0.88 3.84 0.56 0.00 -1.26 -4.59 105.19 109.90 2roe n GLY 27 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 2roe n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2roe s VAL 28 N -1.60 5.24 0.03 1.61 1.01 -0.64 -0.58 120.40 125.46 2roe s VAL 28 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2roe s VAL 28 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2roe s VAL 28 CO 0.00 0.57 0.00 -0.62 0.00 0.00 0.00 175.10 175.05 2roe n GLU 29 N 2.09 0.00 -4.03 2.72 1.02 -1.26 -4.93 120.64 116.25 2roe n GLU 29 Ca -0.16 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.89 2roe n GLU 29 Cb 0.53 -0.39 -0.11 0.00 -0.02 0.00 0.00 31.44 31.46 2roe n GLU 29 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2roe s LYS 30 N -2.00 0.45 0.18 3.49 2.20 -1.26 -4.98 119.74 117.81 2roe s LYS 30 Ca 0.00 -0.85 -0.09 0.00 -0.36 0.00 0.00 55.97 54.68 2roe s LYS 30 Cb 0.00 0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 36.40 2roe s LYS 30 CO 0.00 -0.06 0.29 0.14 -0.36 0.00 0.00 175.35 175.37 2roe s VAL 31 N -2.32 0.05 -0.33 4.02 -7.23 -1.26 -1.27 120.40 112.06 2roe s VAL 31 Ca -0.07 -1.45 -0.01 0.00 -1.81 0.00 0.00 61.98 58.64 2roe s VAL 31 Cb -0.04 -1.95 0.13 0.00 0.56 0.00 0.00 36.38 35.09 2roe s VAL 31 CO -0.04 -0.23 0.23 -0.70 -0.31 0.00 0.00 175.10 174.04 2roe s GLU 32 N -3.99 0.43 -0.14 4.82 2.56 -0.39 -4.96 118.70 117.03 2roe s GLU 32 Ca 0.20 -0.87 -0.11 0.00 0.00 0.00 0.00 54.97 54.19 2roe s GLU 32 Cb 0.03 -1.08 -0.05 0.00 2.00 0.00 0.00 34.13 35.04 2roe s GLU 32 CO 0.02 -1.13 0.21 0.08 -0.56 0.00 0.00 175.26 173.88 2roe s VAL 33 N 1.59 5.37 -0.03 3.70 1.01 -1.26 -1.04 120.40 129.74 2roe s VAL 33 Ca 0.14 0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.52 2roe s VAL 33 Cb -0.19 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.68 2roe s VAL 33 CO -0.15 0.49 -0.10 -0.55 0.00 0.00 0.00 175.10 174.80 2roe s SER 34 N -0.17 1.31 0.03 3.32 0.15 -0.66 -5.00 113.70 112.68 2roe s SER 34 Ca 0.14 -0.21 -0.17 0.00 0.70 0.00 0.00 55.95 56.41 2roe s SER 34 Cb -0.12 -0.41 -0.26 0.00 -1.71 0.00 0.00 66.02 63.51 2roe s SER 34 CO 0.03 0.06 1.09 0.25 1.20 0.00 0.00 173.24 175.87 2roe h LEU 35 N 6.52 0.72 0.17 3.45 5.85 -1.97 -1.11 115.31 128.93 2roe h LEU 35 Ca -0.33 -0.80 0.00 0.00 0.84 0.00 0.00 57.88 57.59 2roe h LEU 35 Cb 1.17 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 2roe h LEU 35 CO 0.48 1.43 -0.17 -0.08 -0.34 0.00 0.00 178.44 179.77 2roe h GLU 36 N 0.09 -0.36 0.00 1.25 4.81 -1.97 -2.75 114.58 115.65 2roe h GLU 36 Ca -0.13 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2roe h GLU 36 Cb 1.62 0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.09 2roe h GLU 36 CO 0.18 -0.24 -0.15 1.63 -0.73 0.00 0.00 179.01 179.70 2roe n LYS 37 N -5.30 0.28 -3.54 1.92 4.01 -1.25 -4.96 118.16 109.31 2roe n LYS 37 Ca -0.08 0.19 -0.22 0.00 -0.51 0.00 0.00 58.31 57.70 2roe n LYS 37 Cb 0.21 -1.78 0.05 0.00 -0.51 0.00 0.00 35.03 33.00 2roe n LYS 37 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2roe n GLY 38 N 1.31 -0.71 3.44 0.72 0.00 -0.44 -4.92 105.19 104.60 2roe n GLY 38 Ca 0.05 0.33 -0.10 0.00 0.00 0.00 0.00 46.02 46.30 2roe n GLY 38 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2roe s GLU 39 N -5.48 1.42 -0.33 1.61 -1.05 -1.08 -1.76 118.70 112.03 2roe s GLU 39 Ca 0.24 -1.40 0.02 0.00 -0.15 0.00 0.00 54.97 53.69 2roe s GLU 39 Cb -0.06 0.40 0.15 0.00 -0.44 0.00 0.00 34.13 34.18 2roe s GLU 39 CO 0.80 -0.55 0.36 0.00 0.95 0.00 0.00 175.26 176.82 2roe s ALA 40 N -4.06 -0.64 0.56 -0.84 0.00 -0.14 -1.66 121.76 114.98 2roe s ALA 40 Ca 0.29 -0.51 -0.17 0.00 0.00 0.00 0.00 51.96 51.56 2roe s ALA 40 Cb 0.02 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.09 2roe s ALA 40 CO 0.10 -1.93 1.07 -0.51 0.00 0.00 0.00 175.76 174.48 2roe s LEU 41 N 1.95 3.62 -0.03 0.00 2.01 -0.20 -3.21 118.68 122.81 2roe s LEU 41 Ca 0.13 1.91 0.03 0.00 0.01 0.00 0.00 54.13 56.21 2roe s LEU 41 Cb -0.14 -4.55 -0.00 0.00 0.01 0.00 0.00 46.19 41.51 2roe s LEU 41 CO -0.18 -1.11 -0.13 -0.69 1.01 0.00 0.00 176.35 175.25 2roe s VAL 42 N -2.22 1.10 -0.08 -1.59 1.01 -0.57 -1.26 120.40 116.78 2roe s VAL 42 Ca 0.66 -0.54 0.18 0.00 0.00 0.00 0.00 61.98 62.28 2roe s VAL 42 Cb -0.17 -0.95 -0.27 0.00 0.00 0.00 0.00 36.38 34.98 2roe s VAL 42 CO 0.31 0.33 0.42 1.21 0.00 0.00 0.00 175.10 177.37 2roe n GLU 43 N 3.18 0.59 -0.31 2.72 2.13 -0.40 -1.87 120.64 126.69 2roe n GLU 43 Ca -0.18 -0.15 -0.06 0.00 0.66 0.00 0.00 57.16 57.43 2roe n GLU 43 Cb 0.54 -1.42 0.05 0.00 0.27 0.00 0.00 31.44 30.88 2roe n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2roe n GLY 44 N 1.48 -1.89 1.09 8.31 0.00 -1.25 -4.67 105.19 108.27 2roe n GLY 44 Ca -0.03 -1.56 0.10 0.00 0.00 0.00 0.00 46.02 44.53 2roe n GLY 44 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2roe n THR 45 N -2.71 0.88 -1.18 2.61 -2.24 0.26 -4.40 114.28 107.50 2roe n THR 45 Ca 0.03 -0.94 -0.35 0.00 -2.27 0.00 0.00 64.05 60.53 2roe n THR 45 Cb 0.12 0.61 0.10 0.00 -2.10 0.00 0.00 70.33 69.07 2roe n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2roe n ALA 46 N 1.28 -0.70 -1.96 6.98 0.00 -0.86 -4.97 120.51 120.29 2roe n ALA 46 Ca 0.19 -0.30 -0.32 0.00 0.00 0.00 0.00 53.44 53.01 2roe n ALA 46 Cb 0.55 -2.07 -0.06 0.00 0.00 0.00 0.00 19.45 17.87 2roe n ALA 46 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2roe s ASP 47 N -1.83 6.79 0.21 0.00 2.15 -1.26 -4.99 116.67 117.75 2roe s ASP 47 Ca 0.70 1.49 -0.08 0.00 0.43 0.00 0.00 52.55 55.09 2roe s ASP 47 Cb -0.31 -2.46 0.16 0.00 -0.30 0.00 0.00 42.92 40.01 2roe s ASP 47 CO 0.54 -0.36 1.78 1.55 -0.17 0.00 0.00 175.17 178.51 2roe h PRO 48 N 1.77 1.19 -0.50 4.34 0.13 -1.99 -2.43 132.00 134.51 2roe h PRO 48 Ca -0.48 -0.21 0.02 0.00 -0.87 0.00 0.00 66.00 64.46 2roe h PRO 48 Cb 1.18 -0.19 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 2roe h PRO 48 CO 0.63 0.96 0.30 0.87 -0.23 0.00 0.00 178.00 180.53 2roe h LYS 49 N 1.16 0.59 -0.11 0.86 6.56 -2.00 -0.69 116.57 122.95 2roe h LYS 49 Ca 0.27 -0.04 -0.09 0.00 -1.06 0.00 0.00 60.65 59.74 2roe h LYS 49 Cb 0.21 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.72 2roe h LYS 49 CO -0.02 0.39 -0.32 0.00 -2.06 0.00 0.00 179.45 177.44 2roe h ALA 50 N 1.21 1.26 0.41 3.86 0.00 -1.92 -2.20 119.26 121.89 2roe h ALA 50 Ca 0.20 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2roe h ALA 50 Cb -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2roe h ALA 50 CO -0.08 0.51 -0.20 -0.07 0.00 0.00 0.00 179.25 179.41 2roe h LEU 51 N 0.19 -0.47 -0.97 0.00 3.38 -0.88 -3.02 115.31 113.54 2roe h LEU 51 Ca 0.02 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2roe h LEU 51 Cb 0.66 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.47 2roe h LEU 51 CO 0.05 -0.05 0.62 1.62 0.09 0.00 0.00 178.44 180.77 2roe h VAL 52 N -1.03 1.09 -0.20 1.22 3.04 -1.18 -2.67 116.25 116.52 2roe h VAL 52 Ca -0.06 -0.39 0.05 0.00 -1.01 0.00 0.00 66.70 65.29 2roe h VAL 52 Cb 0.54 -0.15 -0.06 0.00 -2.01 0.00 0.00 31.29 29.61 2roe h VAL 52 CO 0.09 0.21 -0.17 -0.61 -1.01 0.00 0.00 177.57 176.08 2roe h GLN 53 N 1.14 -0.17 -0.13 4.17 4.15 -1.46 -0.84 115.11 121.97 2roe h GLN 53 Ca 0.41 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.88 2roe h GLN 53 Cb 0.14 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 2roe h GLN 53 CO -0.16 -0.12 0.11 0.00 -1.93 0.00 0.00 178.83 176.73 2roe h ALA 54 N 0.92 1.97 0.23 3.38 0.00 -1.34 -0.00 119.26 124.42 2roe h ALA 54 Ca 0.12 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.69 2roe h ALA 54 Cb 0.36 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.19 2roe h ALA 54 CO -0.31 -0.18 -1.55 0.28 0.00 0.00 0.00 179.25 177.49 2roe h VAL 55 N 0.00 1.19 -0.91 0.00 2.07 -1.26 -3.26 116.25 114.08 2roe h VAL 55 Ca 0.06 -2.67 -0.00 0.00 0.82 0.00 0.00 66.70 64.91 2roe h VAL 55 Cb 0.28 2.96 -0.04 0.00 -1.52 0.00 0.00 31.29 32.97 2roe h VAL 55 CO -0.00 0.83 0.55 -0.33 0.02 0.00 0.00 177.57 178.64 2roe h GLU 56 N 0.13 1.23 0.00 1.57 4.39 -0.33 -2.07 114.58 119.50 2roe h GLU 56 Ca -0.28 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.31 2roe h GLU 56 Cb 2.15 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 30.53 2roe h GLU 56 CO 0.25 0.86 -0.04 0.93 -1.16 0.00 0.00 179.01 179.85 2roe h GLU 57 N 1.25 0.00 -0.00 2.33 4.39 -1.10 -1.21 114.58 120.24 2roe h GLU 57 Ca 0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.03 2roe h GLU 57 Cb -0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2roe h GLU 57 CO -0.06 0.04 -0.29 0.39 -1.16 0.00 0.00 179.01 177.92 2roe n GLU 58 N -3.31 0.08 -0.12 2.33 -0.58 -0.79 -4.95 120.64 113.31 2roe n GLU 58 Ca -0.02 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 2roe n GLU 58 Cb 0.18 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 2roe n GLU 58 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2roe n GLY 59 N 1.48 1.07 3.91 0.62 0.00 -0.46 -5.12 105.19 106.69 2roe n GLY 59 Ca 0.07 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 2roe n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2roe s TYR 60 N -2.00 1.51 -0.26 1.61 2.02 -1.19 -5.06 117.35 113.98 2roe s TYR 60 Ca 0.00 -0.88 0.03 0.00 -0.37 0.00 0.00 57.07 55.85 2roe s TYR 60 Cb 0.00 -1.89 0.06 0.00 -0.40 0.00 0.00 41.96 39.73 2roe s TYR 60 CO 0.00 -0.52 -0.10 0.21 -1.57 0.00 0.00 175.55 173.57 2roe s LYS 61 N -4.30 2.14 0.35 -0.62 2.20 -1.02 -4.27 119.74 114.21 2roe s LYS 61 Ca 0.32 -1.34 0.08 0.00 -0.36 0.00 0.00 55.97 54.68 2roe s LYS 61 Cb -0.02 -2.87 -0.05 0.00 -1.51 0.00 0.00 37.83 33.37 2roe s LYS 61 CO 0.20 -0.59 0.11 0.00 -0.36 0.00 0.00 175.35 174.71 2roe s ALA 62 N 1.12 3.42 -0.25 3.13 0.00 -1.26 -0.60 121.76 127.31 2roe s ALA 62 Ca -0.08 -1.90 -0.16 0.00 0.00 0.00 0.00 51.96 49.81 2roe s ALA 62 Cb -0.20 -0.58 0.07 0.00 0.00 0.00 0.00 23.12 22.42 2roe s ALA 62 CO -0.05 0.02 0.63 -2.00 0.00 0.00 0.00 175.76 174.35 2roe s GLU 63 N -3.81 0.66 0.45 0.00 2.12 0.02 -4.98 118.70 113.16 2roe s GLU 63 Ca 0.37 1.06 -0.22 0.00 0.36 0.00 0.00 54.97 56.54 2roe s GLU 63 Cb -0.01 0.17 -0.08 0.00 0.26 0.00 0.00 34.13 34.47 2roe s GLU 63 CO 0.22 -0.14 1.07 0.54 -0.54 0.00 0.00 175.26 176.41 2roe s VAL 64 N 1.26 3.60 -0.38 3.70 0.11 -1.26 -0.34 120.40 127.08 2roe s VAL 64 Ca -0.07 1.11 0.06 0.00 -2.93 0.00 0.00 61.98 60.15 2roe s VAL 64 Cb -0.05 -3.52 0.51 0.00 -1.53 0.00 0.00 36.38 31.78 2roe s VAL 64 CO -0.13 -0.10 1.57 0.18 -3.33 0.00 0.00 175.10 173.29 2roe n LEU 65 N -0.57 5.26 -0.21 2.54 4.77 -0.31 -4.87 117.00 123.61 2roe n LEU 65 Ca 0.07 -4.06 0.03 0.00 -0.03 0.00 0.00 56.01 52.02 2roe n LEU 65 Cb 0.51 -0.67 0.02 0.00 -2.33 0.00 0.00 43.42 40.95 2roe n LEU 65 CO 0.43 1.45 0.33 0.00 -1.33 0.00 0.00 177.39 178.28