#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roe n LEU 2 N 0.00 0.00 -3.64 -0.89 4.77 -1.19 -5.03 117.00 111.02 2roe n LEU 2 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 2roe n LEU 2 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2roe n LEU 2 CO 0.00 0.00 0.33 -0.75 -1.33 0.00 0.00 177.39 175.64 2roe s LYS 3 N 2.67 0.70 0.07 3.23 2.20 -1.26 -4.63 119.74 122.72 2roe s LYS 3 Ca 0.00 1.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.76 2roe s LYS 3 Cb 0.00 0.17 -0.04 0.00 -1.51 0.00 0.00 37.83 36.44 2roe s LYS 3 CO 0.00 -0.14 -0.04 -0.51 -0.36 0.00 0.00 175.35 174.29 2roe s LEU 4 N 1.42 2.49 0.05 5.43 1.43 -0.37 -1.45 118.68 127.68 2roe s LEU 4 Ca -0.08 -1.00 0.06 0.00 -1.03 0.00 0.00 54.13 52.08 2roe s LEU 4 Cb -0.05 0.09 -0.02 0.00 0.03 0.00 0.00 46.19 46.23 2roe s LEU 4 CO -0.16 -0.54 -0.18 -0.75 0.23 0.00 0.00 176.35 174.95 2roe s LYS 5 N -3.88 1.16 -0.00 1.70 2.20 0.75 -1.90 119.74 119.76 2roe s LYS 5 Ca 0.09 -0.89 0.07 0.00 -0.36 0.00 0.00 55.97 54.88 2roe s LYS 5 Cb 0.07 -1.25 -0.02 0.00 -1.51 0.00 0.00 37.83 35.12 2roe s LYS 5 CO -0.08 0.31 -0.23 0.08 -0.36 0.00 0.00 175.35 175.08 2roe s VAL 6 N -0.87 1.81 -0.13 4.02 1.01 0.04 -0.95 120.40 125.33 2roe s VAL 6 Ca 0.05 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 2roe s VAL 6 Cb -0.09 -1.52 0.05 0.00 0.00 0.00 0.00 36.38 34.82 2roe s VAL 6 CO 0.02 0.46 0.05 -1.61 0.00 0.00 0.00 175.10 174.02 2roe s GLU 7 N -0.68 0.28 0.00 2.72 2.02 0.22 -4.59 118.70 118.66 2roe s GLU 7 Ca 0.09 -0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.06 2roe s GLU 7 Cb -0.09 -1.43 0.00 0.00 0.10 0.00 0.00 34.13 32.71 2roe s GLU 7 CO -0.00 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.17 2roe n GLY 8 N 5.20 0.49 3.76 -1.39 0.00 -1.26 -1.01 105.19 110.98 2roe n GLY 8 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 2.64 0.00 1.61 -1.94 -1.26 -4.97 119.30 115.38 2roe s MET 9 Ca 0.00 1.46 0.00 0.00 -1.71 0.00 0.00 55.69 55.44 2roe s MET 9 Cb 0.00 -1.92 0.00 0.00 2.01 0.00 0.00 34.83 34.92 2roe s MET 9 CO 0.00 -1.39 0.00 0.25 -0.01 0.00 0.00 175.02 173.87 2roe n THR 10 N -2.52 0.00 -4.26 2.05 -2.24 -1.26 -5.10 114.28 100.95 2roe n THR 10 Ca 0.11 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.75 2roe n THR 10 Cb 0.52 -0.15 -0.10 0.00 -2.10 0.00 0.00 70.33 68.49 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 2.53 0.35 -0.81 0.00 4.21 -2.00 0.08 115.58 119.93 2roe h ASN 12 Ca -0.37 0.13 0.04 0.00 1.21 0.00 0.00 56.30 57.31 2roe h ASN 12 Cb 1.24 0.10 -0.05 0.00 -1.12 0.00 0.00 38.32 38.50 2roe h ASN 12 CO 0.58 0.07 0.53 -0.74 -1.29 0.00 0.00 177.43 176.58 2roe h HIS 13 N 0.45 0.96 -0.68 1.19 2.76 -1.99 -1.12 115.15 116.73 2roe h HIS 13 Ca 0.51 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.62 2roe h HIS 13 Cb 0.88 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 29.49 2roe h HIS 13 CO -0.14 0.56 0.12 0.00 -1.30 0.00 0.00 177.93 177.17 2roe h VAL 15 N 1.05 0.14 -0.91 0.00 2.07 -1.13 -3.11 116.25 114.36 2roe h VAL 15 Ca 0.21 -0.29 0.16 0.00 0.82 0.00 0.00 66.70 67.60 2roe h VAL 15 Cb 0.42 0.19 -0.07 0.00 -1.52 0.00 0.00 31.29 30.31 2roe h VAL 15 CO 0.01 0.02 0.58 0.00 0.02 0.00 0.00 177.57 178.20 2roe h MET 16 N -1.15 0.63 0.37 1.57 -0.00 -1.25 0.11 114.93 115.20 2roe h MET 16 Ca -0.09 -0.04 -0.01 0.00 -0.00 0.00 0.00 59.70 59.56 2roe h MET 16 Cb 0.72 -0.14 -0.01 0.00 -0.00 0.00 0.00 31.60 32.17 2roe h MET 16 CO 0.15 0.41 -0.27 0.00 -0.00 0.00 0.00 176.91 177.21 2roe h ALA 17 N 1.61 -0.63 -0.63 -3.00 0.00 -1.48 -0.98 119.26 114.15 2roe h ALA 17 Ca 0.47 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 2roe h ALA 17 Cb 0.83 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2roe h ALA 17 CO -0.22 -0.87 0.11 0.28 0.00 0.00 0.00 179.25 178.55 2roe h VAL 18 N -0.63 1.26 -0.53 0.00 2.07 -1.30 -0.90 116.25 116.21 2roe h VAL 18 Ca -0.03 -1.00 0.07 0.00 0.82 0.00 0.00 66.70 66.55 2roe h VAL 18 Cb 0.54 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 2roe h VAL 18 CO 0.00 0.37 0.22 0.74 0.02 0.00 0.00 177.57 178.93 2roe h THR 19 N 0.95 0.87 -0.33 2.57 2.02 -0.55 0.19 112.91 118.63 2roe h THR 19 Ca 0.19 -0.15 -0.11 0.00 0.77 0.00 0.00 66.41 67.11 2roe h THR 19 Cb 0.42 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2roe h THR 19 CO 0.01 0.08 -0.25 0.11 0.37 0.00 0.00 175.52 175.84 2roe h LYS 20 N 0.43 0.65 -0.21 6.66 1.79 -0.77 -3.06 116.57 122.07 2roe h LYS 20 Ca 0.25 -0.26 -0.15 0.00 -2.18 0.00 0.00 60.65 58.31 2roe h LYS 20 Cb 0.24 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2roe h LYS 20 CO -0.22 0.84 -0.48 0.00 -1.08 0.00 0.00 179.45 178.51 2roe h ALA 21 N 1.15 0.77 -0.88 3.86 0.00 0.09 -3.12 119.26 121.14 2roe h ALA 21 Ca 0.08 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2roe h ALA 21 Cb 0.73 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2roe h ALA 21 CO 0.06 0.67 0.50 -0.07 0.00 0.00 0.00 179.25 180.41 2roe h LEU 22 N 0.44 1.08 0.00 0.00 3.38 -0.59 -1.14 115.31 118.47 2roe h LEU 22 Ca 0.02 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2roe h LEU 22 Cb 1.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2roe h LEU 22 CO 0.09 0.85 0.00 0.29 0.09 0.00 0.00 178.44 179.76 2roe n LYS 23 N -4.35 0.01 0.18 1.13 5.02 -1.16 -2.39 118.16 116.60 2roe n LYS 23 Ca 0.09 0.30 0.03 0.00 -2.02 0.00 0.00 58.31 56.71 2roe n LYS 23 Cb 0.08 -1.50 0.33 0.00 -0.02 0.00 0.00 35.03 33.92 2roe n LYS 23 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2roe h LYS 24 N 0.00 0.00 -6.61 1.97 1.57 -1.25 -3.45 116.57 108.80 2roe h LYS 24 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 2roe h LYS 24 Cb 0.18 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.55 2roe h LYS 24 CO 0.00 0.42 0.98 0.28 -0.57 0.00 0.00 179.45 180.56 2roe n VAL 25 N -3.90 0.04 -2.04 0.50 0.31 -1.01 -4.92 118.33 107.31 2roe n VAL 25 Ca -0.01 -0.01 -0.43 0.00 -0.01 0.00 0.00 64.34 63.88 2roe n VAL 25 Cb 0.47 -1.90 -0.03 0.00 -0.91 0.00 0.00 33.84 31.47 2roe n VAL 25 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2roe s PRO 26 N 1.27 3.96 0.00 5.55 0.04 -1.26 -1.96 135.00 142.61 2roe s PRO 26 Ca 0.77 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.76 2roe s PRO 26 Cb -0.54 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 29.98 2roe s PRO 26 CO 0.34 -1.10 0.00 0.41 0.04 0.00 0.00 177.00 176.69 2roe n GLY 27 N 4.43 1.79 3.76 0.56 0.00 -1.26 -4.48 105.19 109.99 2roe n GLY 27 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.05 3.81 0.06 1.61 1.01 -0.83 -0.97 120.40 123.05 2roe s VAL 28 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 61.98 63.74 2roe s VAL 28 Cb 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.29 2roe s VAL 28 CO 0.00 0.37 0.00 -0.62 0.00 0.00 0.00 175.10 174.85 2roe n GLU 29 N 1.15 0.00 -4.08 2.72 1.02 -1.26 -4.93 120.64 115.26 2roe n GLU 29 Ca -0.01 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 2roe n GLU 29 Cb 0.47 -0.46 -0.11 0.00 -0.02 0.00 0.00 31.44 31.32 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 0.58 0.19 3.49 2.36 -1.26 -4.98 119.74 118.11 2roe s LYS 30 Ca 0.00 -0.94 -0.02 0.00 -2.55 0.00 0.00 55.97 52.46 2roe s LYS 30 Cb 0.00 -0.12 -0.04 0.00 -1.05 0.00 0.00 37.83 36.62 2roe s LYS 30 CO 0.00 -0.01 0.14 0.14 1.55 0.00 0.00 175.35 177.17 2roe s VAL 31 N -2.33 0.03 -0.02 4.02 -7.23 -1.26 -1.06 120.40 112.56 2roe s VAL 31 Ca -0.03 -1.93 -0.01 0.00 -1.81 0.00 0.00 61.98 58.20 2roe s VAL 31 Cb -0.04 -2.36 0.01 0.00 0.56 0.00 0.00 36.38 34.56 2roe s VAL 31 CO -0.03 -0.12 0.04 -0.70 -0.31 0.00 0.00 175.10 173.98 2roe s GLU 32 N -4.12 0.03 -0.16 4.82 -6.30 -0.06 -4.97 118.70 107.94 2roe s GLU 32 Ca 0.34 0.07 -0.13 0.00 -2.50 0.00 0.00 54.97 52.75 2roe s GLU 32 Cb 0.07 -0.01 0.05 0.00 0.00 0.00 0.00 34.13 34.23 2roe s GLU 32 CO 0.09 -0.03 0.42 0.08 0.02 0.00 0.00 175.26 175.84 2roe s VAL 33 N 0.16 -0.01 -0.03 3.70 1.01 -1.26 -0.67 120.40 123.30 2roe s VAL 33 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.00 2roe s VAL 33 Cb -0.02 -0.60 0.03 0.00 0.00 0.00 0.00 36.38 35.79 2roe s VAL 33 CO -0.00 0.01 -0.01 -0.55 0.00 0.00 0.00 175.10 174.55 2roe s SER 34 N 0.63 0.54 0.03 3.32 0.15 -0.87 -5.02 113.70 112.48 2roe s SER 34 Ca -0.03 -0.04 -0.23 0.00 0.70 0.00 0.00 55.95 56.34 2roe s SER 34 Cb -0.05 -0.26 -0.16 0.00 -1.71 0.00 0.00 66.02 63.84 2roe s SER 34 CO -0.04 -0.09 1.45 0.25 1.20 0.00 0.00 173.24 176.00 2roe h LEU 35 N 7.27 0.13 -1.38 3.45 5.85 -1.97 0.28 115.31 128.93 2roe h LEU 35 Ca -0.41 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 57.97 2roe h LEU 35 Cb 1.14 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 2roe h LEU 35 CO 0.47 0.42 0.24 1.05 -0.34 0.00 0.00 178.44 180.28 2roe h GLU 36 N -0.17 0.66 0.00 1.25 4.11 -1.98 -2.79 114.58 115.66 2roe h GLU 36 Ca 0.02 -0.07 -0.24 0.00 0.07 0.00 0.00 59.36 59.14 2roe h GLU 36 Cb 0.36 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2roe h GLU 36 CO 0.00 0.51 -1.29 0.87 0.07 0.00 0.00 179.01 179.17 2roe h LYS 37 N 0.67 0.00 -2.23 1.06 1.79 -1.98 -3.48 116.57 112.40 2roe h LYS 37 Ca 0.17 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.42 2roe h LYS 37 Cb 0.05 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.72 2roe h LYS 37 CO -0.03 0.78 -0.31 0.41 -1.08 0.00 0.00 179.45 179.23 2roe n GLY 38 N 1.43 0.00 3.26 3.86 0.00 0.08 -4.98 105.19 108.85 2roe n GLY 38 Ca -0.07 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.93 1.29 -0.02 1.61 -1.05 -1.18 -0.78 118.70 113.64 2roe s GLU 39 Ca 0.10 -1.69 -0.02 0.00 -0.15 0.00 0.00 54.97 53.22 2roe s GLU 39 Cb -0.05 -0.03 0.00 0.00 -0.44 0.00 0.00 34.13 33.61 2roe s GLU 39 CO 0.13 -0.32 0.05 0.00 0.95 0.00 0.00 175.26 176.06 2roe s ALA 40 N -3.92 -0.12 0.10 -0.84 0.00 -0.80 -2.06 121.76 114.13 2roe s ALA 40 Ca 0.37 0.12 0.08 0.00 0.00 0.00 0.00 51.96 52.53 2roe s ALA 40 Cb 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 2roe s ALA 40 CO 0.12 -0.03 -0.21 -0.51 0.00 0.00 0.00 175.76 175.13 2roe s LEU 41 N -0.01 2.29 -0.04 0.00 1.02 0.15 -1.23 118.68 120.86 2roe s LEU 41 Ca -0.00 -0.68 0.02 0.00 0.02 0.00 0.00 54.13 53.49 2roe s LEU 41 Cb -0.01 -0.91 0.01 0.00 0.02 0.00 0.00 46.19 45.30 2roe s LEU 41 CO 0.00 0.07 -0.10 -0.69 0.02 0.00 0.00 176.35 175.65 2roe s VAL 42 N -1.13 0.89 -2.18 -1.59 1.01 -1.26 -0.88 120.40 115.26 2roe s VAL 42 Ca 0.07 -0.39 0.23 0.00 0.00 0.00 0.00 61.98 61.89 2roe s VAL 42 Cb -0.10 -0.80 0.02 0.00 0.00 0.00 0.00 36.38 35.50 2roe s VAL 42 CO 0.04 0.28 1.11 1.21 0.00 0.00 0.00 175.10 177.74 2roe n GLU 43 N 3.49 1.41 -0.29 2.72 2.13 -0.22 -3.16 120.64 126.72 2roe n GLU 43 Ca -0.20 -1.15 -0.02 0.00 0.66 0.00 0.00 57.16 56.44 2roe n GLU 43 Cb 0.53 -1.47 0.01 0.00 0.27 0.00 0.00 31.44 30.78 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 1.40 -0.66 1.06 8.31 0.00 -1.25 -4.67 105.19 109.38 2roe n GLY 44 Ca 0.10 -1.75 0.11 0.00 0.00 0.00 0.00 46.02 44.49 2roe n GLY 44 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2roe n THR 45 N -1.96 0.38 -1.29 2.61 5.66 -0.14 -4.24 114.28 115.30 2roe n THR 45 Ca 0.01 -0.69 -0.35 0.00 -3.05 0.00 0.00 64.05 59.97 2roe n THR 45 Cb 0.04 1.10 0.09 0.00 -1.55 0.00 0.00 70.33 70.01 2roe n THR 45 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2roe n ALA 46 N 1.39 -0.36 -2.01 1.79 0.00 -1.18 -4.94 120.51 115.20 2roe n ALA 46 Ca 0.17 -0.23 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 2roe n ALA 46 Cb 0.58 -2.11 -0.06 0.00 0.00 0.00 0.00 19.45 17.86 2roe n ALA 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2roe s ASP 47 N -1.72 6.81 0.19 0.00 1.11 -1.26 -5.00 116.67 116.79 2roe s ASP 47 Ca 0.72 1.44 -0.10 0.00 0.18 0.00 0.00 52.55 54.79 2roe s ASP 47 Cb -0.33 -2.44 0.09 0.00 1.07 0.00 0.00 42.92 41.31 2roe s ASP 47 CO 0.51 -0.30 1.70 1.55 1.18 0.00 0.00 175.17 179.81 2roe h PRO 48 N 1.96 1.05 -0.44 8.23 0.13 -1.99 -2.54 132.00 138.41 2roe h PRO 48 Ca -0.48 -0.25 0.06 0.00 -0.87 0.00 0.00 66.00 64.45 2roe h PRO 48 Cb 1.18 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 32.12 2roe h PRO 48 CO 0.63 0.94 0.14 1.57 -0.23 0.00 0.00 178.00 181.06 2roe h LYS 49 N 0.98 0.29 -0.30 0.86 2.10 -2.00 -0.68 116.57 117.82 2roe h LYS 49 Ca 0.21 -0.02 -0.10 0.00 -2.00 0.00 0.00 60.65 58.74 2roe h LYS 49 Cb 0.36 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.61 2roe h LYS 49 CO 0.00 0.19 -0.24 0.00 -2.00 0.00 0.00 179.45 177.40 2roe h ALA 50 N 1.30 1.03 0.16 0.07 0.00 -1.94 -2.41 119.26 117.46 2roe h ALA 50 Ca 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2roe h ALA 50 Cb 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2roe h ALA 50 CO -0.22 0.58 -0.08 -0.07 0.00 0.00 0.00 179.25 179.46 2roe h LEU 51 N 0.51 -0.19 -0.93 0.00 3.38 -0.95 -1.89 115.31 115.24 2roe h LEU 51 Ca 0.07 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2roe h LEU 51 Cb 0.69 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 2roe h LEU 51 CO 0.05 0.18 0.58 1.62 0.09 0.00 0.00 178.44 180.97 2roe h VAL 52 N -0.58 1.25 -0.49 1.22 3.04 -1.17 -2.48 116.25 117.03 2roe h VAL 52 Ca -0.02 -0.50 0.03 0.00 -1.01 0.00 0.00 66.70 65.20 2roe h VAL 52 Cb 0.44 -0.08 -0.04 0.00 -2.01 0.00 0.00 31.29 29.60 2roe h VAL 52 CO 0.04 0.25 0.27 -0.61 -1.01 0.00 0.00 177.57 176.51 2roe h GLN 53 N 1.27 0.52 -0.07 4.17 4.15 -1.40 -1.10 115.11 122.65 2roe h GLN 53 Ca 0.34 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.74 2roe h GLN 53 Cb -0.09 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.48 2roe h GLN 53 CO -0.07 0.35 0.07 0.00 -1.93 0.00 0.00 178.83 177.25 2roe h ALA 54 N 1.24 1.68 0.06 3.38 0.00 -0.87 -0.46 119.26 124.29 2roe h ALA 54 Ca 0.21 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.82 2roe h ALA 54 Cb 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2roe h ALA 54 CO -0.12 -0.11 -1.53 0.28 0.00 0.00 0.00 179.25 177.77 2roe h VAL 55 N 0.00 1.11 -0.19 0.00 2.07 -1.15 -3.27 116.25 114.81 2roe h VAL 55 Ca 0.03 -2.84 -0.06 0.00 0.82 0.00 0.00 66.70 64.65 2roe h VAL 55 Cb 0.18 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2roe h VAL 55 CO -0.00 0.75 -0.14 -0.33 0.02 0.00 0.00 177.57 177.86 2roe h GLU 56 N 0.03 0.31 0.00 1.57 5.08 -0.18 -1.79 114.58 119.60 2roe h GLU 56 Ca -0.23 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 2roe h GLU 56 Cb 1.97 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.17 2roe h GLU 56 CO 0.12 0.46 -0.29 0.93 -1.00 0.00 0.00 179.01 179.23 2roe h GLU 57 N 0.29 0.00 0.00 2.33 4.39 -1.22 -0.38 114.58 119.99 2roe h GLU 57 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2roe h GLU 57 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2roe h GLU 57 CO 0.03 0.29 0.00 0.39 -1.16 0.00 0.00 179.01 178.56 2roe n GLU 58 N -4.08 0.24 -1.16 2.33 -0.58 -0.69 -4.91 120.64 111.79 2roe n GLU 58 Ca -0.02 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2roe n GLU 58 Cb 0.35 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 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 1.14 0.66 3.92 0.62 0.00 -0.15 -5.09 105.19 106.29 2roe n GLY 59 Ca 0.10 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 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 1.68 -0.42 1.61 1.51 -1.09 -5.04 117.35 113.60 2roe s TYR 60 Ca 0.00 -0.80 -0.01 0.00 -1.01 0.00 0.00 57.07 55.25 2roe s TYR 60 Cb 0.00 -1.97 0.11 0.00 -0.11 0.00 0.00 41.96 40.00 2roe s TYR 60 CO 0.00 -0.53 0.20 0.15 -1.11 0.00 0.00 175.55 174.25 2roe s LYS 61 N -4.31 1.93 0.27 -0.62 1.02 -0.18 -4.21 119.74 113.64 2roe s LYS 61 Ca 0.39 -1.97 0.06 0.00 0.02 0.00 0.00 55.97 54.47 2roe s LYS 61 Cb -0.03 -3.49 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 2roe s LYS 61 CO 0.24 -1.05 0.34 0.00 -0.92 0.00 0.00 175.35 173.95 2roe s ALA 62 N 0.86 3.90 -0.16 5.17 0.00 -1.26 -0.61 121.76 129.66 2roe s ALA 62 Ca 0.10 -1.36 -0.14 0.00 0.00 0.00 0.00 51.96 50.57 2roe s ALA 62 Cb -0.22 -1.56 0.04 0.00 0.00 0.00 0.00 23.12 21.38 2roe s ALA 62 CO -0.05 0.17 0.41 -2.00 0.00 0.00 0.00 175.76 174.29 2roe s GLU 63 N -3.99 0.47 0.22 0.00 2.12 -0.13 -4.98 118.70 112.42 2roe s GLU 63 Ca 0.37 0.59 -0.30 0.00 0.36 0.00 0.00 54.97 55.99 2roe s GLU 63 Cb -0.09 0.20 -0.09 0.00 0.26 0.00 0.00 34.13 34.42 2roe s GLU 63 CO 0.28 -0.07 1.00 0.08 -0.54 0.00 0.00 175.26 176.01 2roe s VAL 64 N 0.36 3.96 -0.67 3.70 1.01 -1.26 -0.18 120.40 127.32 2roe s VAL 64 Ca -0.01 1.88 0.08 0.00 0.00 0.00 0.00 61.98 63.93 2roe s VAL 64 Cb -0.04 -4.20 0.21 0.00 0.00 0.00 0.00 36.38 32.36 2roe s VAL 64 CO -0.01 0.41 1.17 0.18 0.00 0.00 0.00 175.10 176.85 2roe n LEU 65 N 1.71 2.63 0.00 3.92 4.77 -0.53 -4.89 117.00 124.61 2roe n LEU 65 Ca -0.01 -1.96 0.13 0.00 -0.03 0.00 0.00 56.01 54.14 2roe n LEU 65 Cb 0.47 -0.16 0.78 0.00 -2.33 0.00 0.00 43.42 42.18 2roe n LEU 65 CO 0.52 0.65 0.96 0.00 -1.33 0.00 0.00 177.39 178.19