#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 1.88 0.01 -0.89 1.43 -0.98 -4.83 118.68 115.31 2roe s LEU 2 Ca 0.00 1.61 0.01 0.00 -1.03 0.00 0.00 54.13 54.73 2roe s LEU 2 Cb 0.00 -3.85 -0.01 0.00 0.03 0.00 0.00 46.19 42.36 2roe s LEU 2 CO 0.00 -3.25 -0.05 -0.75 0.23 0.00 0.00 176.35 172.53 2roe s LYS 3 N -4.74 0.38 0.05 1.70 2.20 -1.26 -2.63 119.74 115.44 2roe s LYS 3 Ca 0.66 -0.37 -0.01 0.00 -0.36 0.00 0.00 55.97 55.88 2roe s LYS 3 Cb -0.21 -0.26 -0.03 0.00 -1.51 0.00 0.00 37.83 35.82 2roe s LYS 3 CO 0.60 0.06 -0.02 -0.51 -0.36 0.00 0.00 175.35 175.12 2roe s LEU 4 N -0.67 2.38 -0.14 5.43 1.43 0.86 -1.04 118.68 126.93 2roe s LEU 4 Ca -0.04 -0.88 0.01 0.00 -1.03 0.00 0.00 54.13 52.20 2roe s LEU 4 Cb -0.05 0.23 0.02 0.00 0.03 0.00 0.00 46.19 46.41 2roe s LEU 4 CO -0.00 -0.54 -0.16 -0.75 0.23 0.00 0.00 176.35 175.13 2roe s LYS 5 N -3.41 2.41 0.02 1.70 2.20 0.50 -1.09 119.74 122.07 2roe s LYS 5 Ca 0.02 -0.61 0.03 0.00 -0.36 0.00 0.00 55.97 55.05 2roe s LYS 5 Cb 0.04 -2.11 -0.04 0.00 -1.51 0.00 0.00 37.83 34.22 2roe s LYS 5 CO -0.08 -0.15 -0.05 0.08 -0.36 0.00 0.00 175.35 174.79 2roe s VAL 6 N 1.22 3.76 -0.04 4.02 1.01 0.88 -0.93 120.40 130.33 2roe s VAL 6 Ca -0.00 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.18 2roe s VAL 6 Cb -0.14 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.60 2roe s VAL 6 CO -0.07 0.34 -0.03 -0.70 0.00 0.00 0.00 175.10 174.64 2roe s GLU 7 N -1.60 0.63 0.00 2.72 2.12 0.59 -4.71 118.70 118.45 2roe s GLU 7 Ca 0.19 -0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.47 2roe s GLU 7 Cb -0.11 -0.69 0.00 0.00 0.26 0.00 0.00 34.13 33.59 2roe s GLU 7 CO 0.10 -0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.13 2roe n GLY 8 N 4.03 1.49 3.75 -1.50 0.00 -1.26 -1.70 105.19 110.00 2roe n GLY 8 Ca -0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.07 4.51 0.00 1.61 -1.94 -1.26 -4.92 119.30 117.23 2roe s MET 9 Ca 0.00 1.94 0.00 0.00 -1.71 0.00 0.00 55.69 55.92 2roe s MET 9 Cb 0.00 -3.18 0.00 0.00 2.01 0.00 0.00 34.83 33.66 2roe s MET 9 CO 0.00 -0.01 0.00 0.25 -0.01 0.00 0.00 175.02 175.25 2roe n THR 10 N 1.63 0.00 -4.04 2.05 -2.24 -1.26 -5.04 114.28 105.37 2roe n THR 10 Ca 0.01 -0.06 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 2roe n THR 10 Cb 0.44 0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 69.17 2roe n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2roe h ASN 12 N 2.13 0.18 -0.57 0.00 -1.24 -2.00 -1.69 115.58 112.39 2roe h ASN 12 Ca -0.29 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.71 2roe h ASN 12 Cb 1.24 -0.05 -0.03 0.00 0.73 0.00 0.00 38.32 40.22 2roe h ASN 12 CO 0.39 0.23 0.37 -0.74 -1.29 0.00 0.00 177.43 176.39 2roe h HIS 13 N 0.20 0.72 -0.15 0.67 2.76 -1.99 0.77 115.15 118.13 2roe h HIS 13 Ca 0.05 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 2roe h HIS 13 Cb 0.17 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 2roe h HIS 13 CO 0.00 0.47 0.01 0.00 -1.30 0.00 0.00 177.93 177.11 2roe h VAL 15 N 0.01 0.44 -0.67 0.00 2.07 -1.04 0.95 116.25 118.00 2roe h VAL 15 Ca 0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 2roe h VAL 15 Cb 0.33 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2roe h VAL 15 CO 0.00 0.00 0.28 0.00 0.02 0.00 0.00 177.57 177.88 2roe h MET 16 N -0.49 0.98 0.09 1.57 -0.00 -0.88 0.10 114.93 116.30 2roe h MET 16 Ca 0.02 -0.15 -0.00 0.00 -0.00 0.00 0.00 59.70 59.56 2roe h MET 16 Cb 0.49 -0.17 0.00 0.00 -0.00 0.00 0.00 31.60 31.92 2roe h MET 16 CO -0.12 0.78 -0.04 0.00 -0.00 0.00 0.00 176.91 177.53 2roe h ALA 17 N 1.35 -0.12 -0.86 -3.00 0.00 -0.79 -0.96 119.26 114.87 2roe h ALA 17 Ca 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2roe h ALA 17 Cb 0.16 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2roe h ALA 17 CO -0.02 -0.45 0.50 0.28 0.00 0.00 0.00 179.25 179.55 2roe h VAL 18 N -0.35 1.25 0.73 0.00 2.07 -0.67 0.65 116.25 119.92 2roe h VAL 18 Ca -0.01 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 2roe h VAL 18 Cb 0.30 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2roe h VAL 18 CO 0.02 0.27 -0.44 0.74 0.02 0.00 0.00 177.57 178.17 2roe h THR 19 N 1.19 0.00 -0.44 2.57 2.02 -0.64 -1.00 112.91 116.62 2roe h THR 19 Ca 0.31 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.53 2roe h THR 19 Cb -0.01 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.37 2roe h THR 19 CO -0.05 0.00 0.29 0.11 0.37 0.00 0.00 175.52 176.24 2roe h LYS 20 N -1.10 0.42 -0.84 6.66 1.57 -0.88 -0.34 116.57 122.06 2roe h LYS 20 Ca -0.10 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 2roe h LYS 20 Cb 0.88 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.05 2roe h LYS 20 CO 0.10 0.28 0.45 0.00 -0.57 0.00 0.00 179.45 179.71 2roe h ALA 21 N 1.75 1.08 -0.17 3.86 0.00 -0.52 -0.68 119.26 124.58 2roe h ALA 21 Ca 0.18 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 2roe h ALA 21 Cb 0.18 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2roe h ALA 21 CO -0.04 0.59 -0.61 -0.07 0.00 0.00 0.00 179.25 179.12 2roe h LEU 22 N 1.17 0.66 -1.24 0.00 3.38 0.25 -3.23 115.31 116.30 2roe h LEU 22 Ca 0.29 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 2roe h LEU 22 Cb 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2roe h LEU 22 CO -0.05 1.11 -0.10 0.11 0.09 0.00 0.00 178.44 179.61 2roe h LYS 23 N 0.43 0.40 0.00 1.13 1.79 -0.24 -2.94 116.57 117.15 2roe h LYS 23 Ca -0.01 -0.10 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2roe h LYS 23 Cb 1.18 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.78 2roe h LYS 23 CO 0.12 0.51 -0.00 1.57 -1.08 0.00 0.00 179.45 180.56 2roe h LYS 24 N 0.38 0.00 -6.59 3.15 2.10 -1.18 -3.43 116.57 111.00 2roe h LYS 24 Ca 0.08 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.20 2roe h LYS 24 Cb 0.41 0.00 0.05 0.00 -0.90 0.00 0.00 32.23 31.79 2roe h LYS 24 CO 0.02 0.00 1.01 0.08 -2.00 0.00 0.00 179.45 178.57 2roe s VAL 25 N -4.07 2.35 -0.55 0.07 1.01 -1.11 -4.89 120.40 113.21 2roe s VAL 25 Ca -0.04 0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.82 2roe s VAL 25 Cb 0.12 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 2roe s VAL 25 CO 0.45 0.01 1.78 -2.16 0.00 0.00 0.00 175.10 175.17 2roe s PRO 26 N 1.68 2.87 0.00 2.72 0.04 -1.26 -2.30 135.00 138.76 2roe s PRO 26 Ca 0.75 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2roe s PRO 26 Cb -0.47 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 29.76 2roe s PRO 26 CO 0.33 -2.43 0.00 0.41 0.04 0.00 0.00 177.00 175.35 2roe n GLY 27 N 5.57 0.71 3.74 0.56 0.00 -1.26 -4.73 105.19 109.78 2roe n GLY 27 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.39 5.01 -0.15 1.61 1.01 -0.97 -0.79 120.40 125.72 2roe s VAL 28 Ca 0.00 1.28 -0.13 0.00 0.00 0.00 0.00 61.98 63.13 2roe s VAL 28 Cb 0.00 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 2roe s VAL 28 CO 0.00 0.34 -0.27 -0.62 0.00 0.00 0.00 175.10 174.54 2roe n GLU 29 N 3.31 0.43 -4.11 2.72 -0.58 -1.26 -4.93 120.64 116.21 2roe n GLU 29 Ca -0.05 0.18 -0.08 0.00 -0.42 0.00 0.00 57.16 56.79 2roe n GLU 29 Cb 0.51 -1.24 -0.10 0.00 -0.57 0.00 0.00 31.44 30.05 2roe n GLU 29 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2roe s LYS 30 N -2.59 0.67 0.05 3.49 2.20 -1.26 -4.99 119.74 117.31 2roe s LYS 30 Ca -0.25 -1.25 -0.01 0.00 -0.36 0.00 0.00 55.97 54.10 2roe s LYS 30 Cb 0.06 0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.43 2roe s LYS 30 CO 0.35 -0.08 -0.02 0.08 -0.36 0.00 0.00 175.35 175.32 2roe s VAL 31 N -3.80 0.21 -0.06 4.02 1.01 -1.26 -1.82 120.40 118.70 2roe s VAL 31 Ca 0.08 -1.73 -0.01 0.00 0.00 0.00 0.00 61.98 60.32 2roe s VAL 31 Cb 0.07 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 35.02 2roe s VAL 31 CO -0.08 -0.96 -0.01 -0.70 0.00 0.00 0.00 175.10 173.35 2roe s GLU 32 N -3.81 0.60 0.17 2.72 2.56 -0.27 -4.97 118.70 115.69 2roe s GLU 32 Ca 0.06 0.07 0.06 0.00 0.00 0.00 0.00 54.97 55.16 2roe s GLU 32 Cb 0.07 -0.88 -0.04 0.00 2.00 0.00 0.00 34.13 35.27 2roe s GLU 32 CO -0.10 -0.25 -0.12 0.08 -0.56 0.00 0.00 175.26 174.32 2roe s VAL 33 N 1.69 1.38 -0.04 3.70 1.01 -1.26 -0.15 120.40 126.73 2roe s VAL 33 Ca 0.01 -2.10 -0.01 0.00 0.00 0.00 0.00 61.98 59.87 2roe s VAL 33 Cb -0.13 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.38 2roe s VAL 33 CO -0.04 -0.68 0.08 -0.55 0.00 0.00 0.00 175.10 173.91 2roe s SER 34 N -3.19 0.31 0.01 3.32 0.15 -0.67 -4.99 113.70 108.63 2roe s SER 34 Ca 0.18 0.14 -0.25 0.00 0.70 0.00 0.00 55.95 56.73 2roe s SER 34 Cb 0.01 0.02 -0.18 0.00 -1.71 0.00 0.00 66.02 64.16 2roe s SER 34 CO 0.03 -0.17 1.30 0.25 1.20 0.00 0.00 173.24 175.84 2roe h LEU 35 N 7.63 -0.18 0.67 3.45 5.85 -1.95 0.12 115.31 130.90 2roe h LEU 35 Ca -0.35 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.07 2roe h LEU 35 Cb 1.12 0.05 0.01 0.00 0.37 0.00 0.00 40.66 42.21 2roe h LEU 35 CO 0.36 0.19 -0.32 1.05 -0.34 0.00 0.00 178.44 179.38 2roe h GLU 36 N -0.57 -0.87 0.00 1.25 4.11 -1.97 -3.11 114.58 113.42 2roe h GLU 36 Ca -0.02 0.06 -0.11 0.00 0.07 0.00 0.00 59.36 59.36 2roe h GLU 36 Cb 0.44 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2roe h GLU 36 CO 0.04 -0.58 -0.50 0.87 0.07 0.00 0.00 179.01 178.90 2roe h LYS 37 N -0.91 0.00 -0.08 1.06 1.57 -2.00 -3.46 116.57 112.75 2roe h LYS 37 Ca -0.09 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 2roe h LYS 37 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2roe h LYS 37 CO 0.15 0.50 -0.03 0.41 -0.57 0.00 0.00 179.45 179.91 2roe n GLY 38 N 0.26 0.49 3.87 3.86 0.00 0.03 -4.93 105.19 108.77 2roe n GLY 38 Ca -0.01 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 2roe n GLY 38 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2roe s GLU 39 N -1.13 3.82 -0.00 1.61 2.02 -1.23 -0.08 118.70 123.70 2roe s GLU 39 Ca 0.00 0.34 0.01 0.00 0.02 0.00 0.00 54.97 55.34 2roe s GLU 39 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.65 2roe s GLU 39 CO 0.00 0.24 -0.02 0.00 0.02 0.00 0.00 175.26 175.50 2roe s ALA 40 N -1.93 0.21 0.08 5.21 0.00 -0.25 -1.68 121.76 123.41 2roe s ALA 40 Ca 0.49 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 52.39 2roe s ALA 40 Cb -0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 2roe s ALA 40 CO 0.22 0.04 -0.08 -0.51 0.00 0.00 0.00 175.76 175.43 2roe s LEU 41 N 0.03 2.42 0.03 0.00 1.02 0.79 -0.10 118.68 122.87 2roe s LEU 41 Ca 0.00 -0.84 0.05 0.00 0.02 0.00 0.00 54.13 53.37 2roe s LEU 41 Cb -0.02 -0.17 -0.02 0.00 0.02 0.00 0.00 46.19 46.00 2roe s LEU 41 CO -0.00 -0.34 -0.16 -0.69 0.02 0.00 0.00 176.35 175.18 2roe s VAL 42 N -2.72 1.27 -1.08 -1.59 1.01 -1.08 -1.11 120.40 115.11 2roe s VAL 42 Ca 0.05 -0.97 0.11 0.00 0.00 0.00 0.00 61.98 61.17 2roe s VAL 42 Cb -0.01 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.26 2roe s VAL 42 CO -0.02 0.13 0.70 1.21 0.00 0.00 0.00 175.10 177.12 2roe n GLU 43 N 2.07 1.81 -0.61 2.72 2.13 -0.76 -2.31 120.64 125.69 2roe n GLU 43 Ca -0.17 -0.72 -0.07 0.00 0.66 0.00 0.00 57.16 56.86 2roe n GLU 43 Cb 0.54 -1.13 0.05 0.00 0.27 0.00 0.00 31.44 31.17 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 0.90 -0.86 1.07 8.31 0.00 -1.26 -4.80 105.19 108.56 2roe n GLY 44 Ca 0.05 -1.74 0.11 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.34 0.54 -0.67 2.61 -2.24 0.03 -4.89 114.28 107.31 2roe n THR 45 Ca 0.04 -0.71 -0.29 0.00 -2.27 0.00 0.00 64.05 60.83 2roe n THR 45 Cb 0.15 0.75 0.23 0.00 -2.10 0.00 0.00 70.33 69.36 2roe n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2roe s ALA 46 N -1.46 0.02 0.13 6.98 0.00 -1.16 -4.99 121.76 121.28 2roe s ALA 46 Ca 0.39 -0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.29 2roe s ALA 46 Cb 0.22 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 2roe s ALA 46 CO 0.30 -3.53 0.28 -0.51 0.00 0.00 0.00 175.76 172.31 2roe s ASP 47 N -2.70 6.36 0.13 0.00 1.01 -1.26 -5.03 116.67 115.18 2roe s ASP 47 Ca 0.68 0.26 -0.19 0.00 0.71 0.00 0.00 52.55 54.01 2roe s ASP 47 Cb -0.24 -1.95 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 2roe s ASP 47 CO 0.63 0.07 1.77 1.55 0.21 0.00 0.00 175.17 179.40 2roe h PRO 48 N 2.44 0.25 -0.55 8.23 0.13 -1.99 -2.28 132.00 138.22 2roe h PRO 48 Ca -0.47 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2roe h PRO 48 Cb 1.18 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 2roe h PRO 48 CO 0.71 0.16 0.32 0.87 -0.23 0.00 0.00 178.00 179.83 2roe h LYS 49 N 0.25 0.76 -0.16 0.86 6.56 -2.00 -1.65 116.57 121.20 2roe h LYS 49 Ca 0.09 -0.08 -0.02 0.00 -1.06 0.00 0.00 60.65 59.58 2roe h LYS 49 Cb 0.01 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 31.50 2roe h LYS 49 CO -0.05 0.57 -0.02 0.00 -2.06 0.00 0.00 179.45 177.89 2roe h ALA 50 N 1.15 1.69 0.02 3.86 0.00 -1.92 -1.63 119.26 122.42 2roe h ALA 50 Ca 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2roe h ALA 50 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2roe h ALA 50 CO -0.03 0.24 -0.01 -0.07 0.00 0.00 0.00 179.25 179.38 2roe h LEU 51 N 0.22 -0.02 -0.86 0.00 3.38 -0.83 -3.03 115.31 114.18 2roe h LEU 51 Ca 0.05 -0.63 0.01 0.00 0.09 0.00 0.00 57.88 57.40 2roe h LEU 51 Cb 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2roe h LEU 51 CO 0.00 0.63 0.56 1.62 0.09 0.00 0.00 178.44 181.34 2roe h VAL 52 N -0.68 1.23 -0.02 1.22 3.04 -1.15 -2.97 116.25 116.92 2roe h VAL 52 Ca -0.00 -0.43 0.03 0.00 -1.01 0.00 0.00 66.70 65.29 2roe h VAL 52 Cb 0.64 -0.03 -0.05 0.00 -2.01 0.00 0.00 31.29 29.84 2roe h VAL 52 CO 0.00 0.22 -0.36 -0.61 -1.01 0.00 0.00 177.57 175.81 2roe h GLN 53 N 1.17 -0.49 -0.24 4.17 -0.00 -1.37 -1.97 115.11 116.38 2roe h GLN 53 Ca 0.31 0.03 0.07 0.00 -0.00 0.00 0.00 58.65 59.07 2roe h GLN 53 Cb -0.12 0.11 -0.01 0.00 0.00 0.00 0.00 27.48 27.46 2roe h GLN 53 CO -0.07 -0.33 0.18 0.00 0.00 0.00 0.00 178.83 178.62 2roe h ALA 54 N 0.16 2.20 0.12 3.38 0.00 -1.39 -2.05 119.26 121.68 2roe h ALA 54 Ca 0.06 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.68 2roe h ALA 54 Cb 0.60 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2roe h ALA 54 CO -0.30 -0.31 -1.30 0.28 0.00 0.00 0.00 179.25 177.62 2roe h VAL 55 N 0.00 1.43 0.00 0.00 2.07 -1.32 -3.24 116.25 115.19 2roe h VAL 55 Ca 0.12 -3.02 -0.04 0.00 0.82 0.00 0.00 66.70 64.58 2roe h VAL 55 Cb 0.48 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 33.14 2roe h VAL 55 CO -0.00 0.88 -0.17 -0.33 0.02 0.00 0.00 177.57 177.96 2roe h GLU 56 N 0.07 0.00 0.00 1.57 4.39 -0.68 -1.49 114.58 118.44 2roe h GLU 56 Ca -0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.55 2roe h GLU 56 Cb 1.97 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.62 2roe h GLU 56 CO 0.19 0.17 0.00 0.93 -1.16 0.00 0.00 179.01 179.14 2roe h GLU 57 N 0.00 0.00 -0.24 2.33 5.08 -1.50 -1.80 114.58 118.45 2roe h GLU 57 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2roe h GLU 57 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2roe h GLU 57 CO 0.02 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.42 2roe n GLU 58 N -2.43 2.33 -0.74 2.33 -0.58 -0.56 -4.96 120.64 116.03 2roe n GLU 58 Ca 0.00 -1.98 0.00 0.00 -0.42 0.00 0.00 57.16 54.76 2roe n GLU 58 Cb 0.17 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 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 1.40 0.74 3.94 0.62 0.00 -0.68 -5.05 105.19 106.16 2roe n GLY 59 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.67 3.42 -0.29 1.61 1.51 -1.22 -5.03 117.35 114.68 2roe s TYR 60 Ca 0.00 0.40 -0.06 0.00 -1.01 0.00 0.00 57.07 56.40 2roe s TYR 60 Cb 0.00 -2.12 0.01 0.00 -0.11 0.00 0.00 41.96 39.75 2roe s TYR 60 CO 0.00 -0.12 0.06 0.15 -1.11 0.00 0.00 175.55 174.53 2roe s LYS 61 N -4.48 3.02 0.20 -0.62 -0.14 -0.69 -4.03 119.74 112.99 2roe s LYS 61 Ca 0.44 -0.90 0.11 0.00 -1.36 0.00 0.00 55.97 54.26 2roe s LYS 61 Cb -0.10 -3.32 -0.04 0.00 -1.68 0.00 0.00 37.83 32.68 2roe s LYS 61 CO 0.38 -0.46 -0.22 0.00 -0.76 0.00 0.00 175.35 174.30 2roe s ALA 62 N 1.47 2.59 -0.14 5.17 0.00 -1.26 -0.30 121.76 129.29 2roe s ALA 62 Ca 0.02 -1.64 -0.10 0.00 0.00 0.00 0.00 51.96 50.24 2roe s ALA 62 Cb -0.17 -0.37 0.05 0.00 0.00 0.00 0.00 23.12 22.63 2roe s ALA 62 CO 0.02 0.42 0.36 -2.00 0.00 0.00 0.00 175.76 174.55 2roe s GLU 63 N -2.75 0.36 0.54 0.00 2.12 -0.10 -4.98 118.70 113.89 2roe s GLU 63 Ca 0.22 0.62 -0.19 0.00 0.36 0.00 0.00 54.97 55.98 2roe s GLU 63 Cb -0.08 0.04 -0.06 0.00 0.26 0.00 0.00 34.13 34.30 2roe s GLU 63 CO 0.11 -0.12 1.10 0.08 -0.54 0.00 0.00 175.26 175.89 2roe s VAL 64 N 0.90 3.36 -0.49 3.70 1.01 -1.26 -0.37 120.40 127.25 2roe s VAL 64 Ca -0.06 0.82 0.08 0.00 0.00 0.00 0.00 61.98 62.82 2roe s VAL 64 Cb -0.06 -3.32 0.33 0.00 0.00 0.00 0.00 36.38 33.33 2roe s VAL 64 CO -0.07 -0.22 0.81 0.18 0.00 0.00 0.00 175.10 175.81 2roe n LEU 65 N -1.36 2.64 0.00 3.92 4.77 -0.20 -4.85 117.00 121.91 2roe n LEU 65 Ca 0.11 -5.32 0.00 0.00 -0.03 0.00 0.00 56.01 50.76 2roe n LEU 65 Cb 0.52 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 2roe n LEU 65 CO 0.42 2.29 0.04 0.00 -1.33 0.00 0.00 177.39 178.81