#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 2.70 -0.08 -0.89 1.43 -1.15 -4.98 118.68 115.72 2roe s LEU 2 Ca 0.00 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 51.92 2roe s LEU 2 Cb 0.00 -0.99 0.02 0.00 0.03 0.00 0.00 46.19 45.25 2roe s LEU 2 CO 0.00 -0.19 -0.05 -0.54 0.23 0.00 0.00 176.35 175.80 2roe s LYS 3 N -3.61 1.13 -0.05 1.70 1.02 -1.26 -3.23 119.74 115.43 2roe s LYS 3 Ca 0.32 -0.14 0.04 0.00 0.02 0.00 0.00 55.97 56.21 2roe s LYS 3 Cb 0.02 -1.21 0.00 0.00 -0.52 0.00 0.00 37.83 36.12 2roe s LYS 3 CO 0.16 -0.19 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.73 2roe s LEU 4 N 1.45 1.84 -0.23 3.17 1.43 -0.52 -1.31 118.68 124.51 2roe s LEU 4 Ca -0.02 -0.35 -0.22 0.00 -1.03 0.00 0.00 54.13 52.52 2roe s LEU 4 Cb -0.13 -0.95 -0.02 0.00 0.03 0.00 0.00 46.19 45.12 2roe s LEU 4 CO -0.04 0.11 0.68 -0.75 0.23 0.00 0.00 176.35 176.59 2roe s LYS 5 N 0.27 4.17 0.08 1.70 2.20 0.49 -1.99 119.74 126.67 2roe s LYS 5 Ca -0.09 0.68 0.03 0.00 -0.36 0.00 0.00 55.97 56.23 2roe s LYS 5 Cb -0.13 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.52 2roe s LYS 5 CO 0.03 -0.38 0.11 0.08 -0.36 0.00 0.00 175.35 174.84 2roe s VAL 6 N 2.37 4.72 -0.07 4.02 1.01 -0.01 -1.17 120.40 131.27 2roe s VAL 6 Ca 0.29 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 2roe s VAL 6 Cb -0.16 -3.29 0.04 0.00 0.00 0.00 0.00 36.38 32.97 2roe s VAL 6 CO 0.09 0.10 0.13 -0.70 0.00 0.00 0.00 175.10 174.73 2roe s GLU 7 N -2.49 0.00 0.00 2.72 2.12 -0.02 -4.67 118.70 116.36 2roe s GLU 7 Ca 0.31 0.50 0.00 0.00 0.36 0.00 0.00 54.97 56.14 2roe s GLU 7 Cb -0.12 -0.33 0.00 0.00 0.26 0.00 0.00 34.13 33.94 2roe s GLU 7 CO 0.23 -0.31 0.00 0.41 -0.54 0.00 0.00 175.26 175.06 2roe n GLY 8 N 5.26 1.46 3.61 -1.50 0.00 -1.26 -2.27 105.19 110.50 2roe n GLY 8 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 3.69 -0.02 1.61 -1.94 -1.26 -4.83 119.30 116.55 2roe s MET 9 Ca 0.00 1.07 0.02 0.00 -1.71 0.00 0.00 55.69 55.08 2roe s MET 9 Cb 0.00 -3.98 0.03 0.00 2.01 0.00 0.00 34.83 32.89 2roe s MET 9 CO 0.00 -1.42 0.94 0.25 -0.01 0.00 0.00 175.02 174.78 2roe n THR 10 N 6.77 0.92 -3.72 2.05 -2.24 -1.26 -4.94 114.28 111.87 2roe n THR 10 Ca 0.16 -0.96 -0.13 0.00 -2.27 0.00 0.00 64.05 60.84 2roe n THR 10 Cb 0.47 0.49 -0.08 0.00 -2.10 0.00 0.00 70.33 69.12 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 3.50 0.00 -0.08 0.00 7.08 -2.01 -1.70 115.58 122.37 2roe h ASN 12 Ca -0.30 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 52.88 2roe h ASN 12 Cb 1.18 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.41 2roe h ASN 12 CO 0.42 0.03 -0.04 0.45 -2.08 0.00 0.00 177.43 176.21 2roe h HIS 13 N 0.00 0.31 -0.16 4.14 3.86 -1.99 -1.79 115.15 119.52 2roe h HIS 13 Ca -0.00 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 2roe h HIS 13 Cb 0.06 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 2roe h HIS 13 CO 0.00 0.35 0.03 0.00 0.86 0.00 0.00 177.93 179.18 2roe h VAL 15 N 0.05 0.25 -0.50 0.00 2.07 -1.43 -0.59 116.25 116.11 2roe h VAL 15 Ca 0.05 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 2roe h VAL 15 Cb 0.28 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2roe h VAL 15 CO 0.00 0.00 0.10 0.00 0.02 0.00 0.00 177.57 177.69 2roe h MET 16 N -0.83 0.76 -0.03 1.57 -0.00 -1.34 0.32 114.93 115.39 2roe h MET 16 Ca -0.05 -0.16 -0.01 0.00 -0.00 0.00 0.00 59.70 59.49 2roe h MET 16 Cb 0.71 -0.11 -0.00 0.00 -0.00 0.00 0.00 31.60 32.19 2roe h MET 16 CO 0.00 0.70 -0.00 0.00 -0.00 0.00 0.00 176.91 177.61 2roe h ALA 17 N 1.38 0.04 -0.15 -3.00 0.00 -0.98 -2.84 119.26 113.70 2roe h ALA 17 Ca 0.16 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2roe h ALA 17 Cb 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2roe h ALA 17 CO 0.00 -0.28 -0.14 0.28 0.00 0.00 0.00 179.25 179.12 2roe h VAL 18 N -0.28 1.18 -0.69 0.00 2.07 -0.97 -1.07 116.25 116.50 2roe h VAL 18 Ca 0.01 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 66.77 2roe h VAL 18 Cb 0.36 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 2roe h VAL 18 CO 0.00 0.25 0.39 0.74 0.02 0.00 0.00 177.57 178.98 2roe h THR 19 N 0.23 1.00 -0.15 2.57 2.02 -0.76 0.21 112.91 118.03 2roe h THR 19 Ca 0.05 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 2roe h THR 19 Cb 0.39 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2roe h THR 19 CO 0.02 0.13 -0.04 0.11 0.37 0.00 0.00 175.52 176.12 2roe h LYS 20 N 0.73 0.28 -0.56 6.66 1.57 -1.01 -2.37 116.57 121.88 2roe h LYS 20 Ca 0.30 -0.11 0.09 0.00 -1.87 0.00 0.00 60.65 59.06 2roe h LYS 20 Cb 0.16 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.38 2roe h LYS 20 CO -0.17 0.57 0.15 0.00 -0.57 0.00 0.00 179.45 179.44 2roe h ALA 21 N 0.70 0.67 -0.72 3.86 0.00 -0.50 -0.49 119.26 122.78 2roe h ALA 21 Ca 0.04 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2roe h ALA 21 Cb 0.47 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2roe h ALA 21 CO 0.02 -0.26 0.36 -0.07 0.00 0.00 0.00 179.25 179.29 2roe h LEU 22 N 0.31 0.92 0.00 0.00 3.38 -0.59 -1.15 115.31 118.18 2roe h LEU 22 Ca 0.28 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2roe h LEU 22 Cb 0.37 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2roe h LEU 22 CO -0.33 0.76 0.00 0.29 0.09 0.00 0.00 178.44 179.25 2roe n LYS 23 N -4.34 0.25 0.17 1.13 5.02 -0.27 -2.92 118.16 117.20 2roe n LYS 23 Ca 0.07 0.06 0.03 0.00 -2.02 0.00 0.00 58.31 56.45 2roe n LYS 23 Cb 0.12 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 33.93 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 -6.36 1.97 1.57 -0.35 -3.44 116.57 109.96 2roe h LYS 24 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 2roe h LYS 24 Cb 0.29 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.63 2roe h LYS 24 CO 0.00 0.45 1.19 0.28 -0.57 0.00 0.00 179.45 180.80 2roe n VAL 25 N -3.67 0.68 -2.17 0.50 0.31 -1.15 -4.89 118.33 107.94 2roe n VAL 25 Ca -0.01 -0.12 -0.40 0.00 -0.01 0.00 0.00 64.34 63.80 2roe n VAL 25 Cb 0.53 -2.18 -0.03 0.00 -0.91 0.00 0.00 33.84 31.25 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 4.15 2.87 0.00 5.55 0.04 -1.26 -2.73 135.00 143.62 2roe s PRO 26 Ca 0.89 0.51 0.00 0.00 0.04 0.00 0.00 61.00 62.44 2roe s PRO 26 Cb -0.50 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 29.73 2roe s PRO 26 CO 0.44 -2.46 0.00 0.41 0.04 0.00 0.00 177.00 175.43 2roe n GLY 27 N 5.56 0.09 3.80 0.56 0.00 -1.26 -4.77 105.19 109.17 2roe n GLY 27 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 4.56 -0.03 1.61 1.01 -1.10 -0.21 120.40 126.23 2roe s VAL 28 Ca 0.00 1.41 -0.08 0.00 0.00 0.00 0.00 61.98 63.30 2roe s VAL 28 Cb 0.00 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 2roe s VAL 28 CO 0.00 0.46 -0.16 -0.62 0.00 0.00 0.00 175.10 174.78 2roe n GLU 29 N 1.43 0.25 -4.14 2.72 1.02 -0.15 -4.96 120.64 116.80 2roe n GLU 29 Ca -0.07 0.10 -0.11 0.00 -0.02 0.00 0.00 57.16 57.06 2roe n GLU 29 Cb 0.50 -0.93 -0.10 0.00 -0.02 0.00 0.00 31.44 30.89 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 -2.41 0.76 -0.01 3.49 2.47 -0.22 -5.02 119.74 118.80 2roe s LYS 30 Ca -0.14 -1.18 -0.03 0.00 -1.56 0.00 0.00 55.97 53.06 2roe s LYS 30 Cb 0.02 -0.25 -0.00 0.00 -1.46 0.00 0.00 37.83 36.14 2roe s LYS 30 CO 0.20 0.01 0.07 0.08 0.16 0.00 0.00 175.35 175.86 2roe s VAL 31 N -3.00 0.05 -0.64 4.02 1.01 -1.26 -1.18 120.40 119.40 2roe s VAL 31 Ca 0.06 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.66 2roe s VAL 31 Cb 0.01 -0.25 0.19 0.00 0.00 0.00 0.00 36.38 36.34 2roe s VAL 31 CO -0.03 -0.24 0.54 -0.62 0.00 0.00 0.00 175.10 174.75 2roe n GLU 32 N 2.21 1.77 -3.10 2.72 1.02 0.00 -4.95 120.64 120.31 2roe n GLU 32 Ca -0.18 -4.32 -0.37 0.00 -0.02 0.00 0.00 57.16 52.26 2roe n GLU 32 Cb 0.57 -2.16 -0.06 0.00 -0.02 0.00 0.00 31.44 29.78 2roe n GLU 32 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2roe s VAL 33 N -1.54 4.55 -0.03 2.62 1.01 -1.26 -2.35 120.40 123.39 2roe s VAL 33 Ca 0.30 1.35 -0.02 0.00 0.00 0.00 0.00 61.98 63.62 2roe s VAL 33 Cb 0.03 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.51 2roe s VAL 33 CO -0.13 0.32 0.07 -0.44 0.00 0.00 0.00 175.10 174.92 2roe s SER 34 N -1.48 -0.03 0.02 3.32 0.01 -0.18 -4.97 113.70 110.39 2roe s SER 34 Ca 0.40 0.14 -0.18 0.00 1.31 0.00 0.00 55.95 57.62 2roe s SER 34 Cb -0.18 0.07 -0.10 0.00 0.21 0.00 0.00 66.02 66.02 2roe s SER 34 CO 0.22 -0.10 1.19 0.25 0.41 0.00 0.00 173.24 175.21 2roe h LEU 35 N 6.85 -0.54 -1.58 2.44 5.85 -1.94 -2.87 115.31 123.52 2roe h LEU 35 Ca -0.38 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 2roe h LEU 35 Cb 1.16 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 2roe h LEU 35 CO 0.46 -0.37 -0.19 1.05 -0.34 0.00 0.00 178.44 179.05 2roe h GLU 36 N -0.68 0.02 0.00 1.25 4.11 -1.97 -2.60 114.58 114.71 2roe h GLU 36 Ca -0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.36 2roe h GLU 36 Cb 0.49 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2roe h GLU 36 CO 0.11 0.22 -0.15 0.87 0.07 0.00 0.00 179.01 180.13 2roe h LYS 37 N 0.02 0.00 -4.74 1.06 1.57 -2.00 -3.47 116.57 109.01 2roe h LYS 37 Ca 0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.38 2roe h LYS 37 Cb 0.36 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.72 2roe h LYS 37 CO 0.03 0.00 -0.62 0.41 -0.57 0.00 0.00 179.45 178.70 2roe n GLY 38 N 1.30 -0.52 3.18 3.86 0.00 -0.98 -4.95 105.19 107.07 2roe n GLY 38 Ca 0.05 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -5.81 1.03 -0.10 1.61 2.02 -1.19 -0.83 118.70 115.43 2roe s GLU 39 Ca 0.35 -1.51 -0.05 0.00 0.02 0.00 0.00 54.97 53.78 2roe s GLU 39 Cb -0.16 0.20 0.05 0.00 0.10 0.00 0.00 34.13 34.31 2roe s GLU 39 CO 0.43 -0.29 0.22 0.00 0.02 0.00 0.00 175.26 175.64 2roe s ALA 40 N -4.04 -0.49 0.19 5.21 0.00 -0.84 -1.01 121.76 120.78 2roe s ALA 40 Ca 0.29 0.92 0.11 0.00 0.00 0.00 0.00 51.96 53.27 2roe s ALA 40 Cb 0.07 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 2roe s ALA 40 CO 0.05 -0.22 -0.23 -0.51 0.00 0.00 0.00 175.76 174.86 2roe s LEU 41 N 1.32 2.43 0.10 0.00 1.43 -0.99 -1.44 118.68 121.54 2roe s LEU 41 Ca -0.09 -0.87 0.06 0.00 -1.03 0.00 0.00 54.13 52.21 2roe s LEU 41 Cb -0.11 -1.09 -0.03 0.00 0.03 0.00 0.00 46.19 44.99 2roe s LEU 41 CO -0.08 0.09 -0.15 -0.69 0.23 0.00 0.00 176.35 175.75 2roe s VAL 42 N -1.75 1.30 -0.18 -1.59 1.01 -1.20 -0.82 120.40 117.17 2roe s VAL 42 Ca 0.20 -1.57 -0.03 0.00 0.00 0.00 0.00 61.98 60.57 2roe s VAL 42 Cb -0.07 -1.39 0.06 0.00 0.00 0.00 0.00 36.38 34.97 2roe s VAL 42 CO 0.09 -0.32 0.04 -0.70 0.00 0.00 0.00 175.10 174.20 2roe s GLU 43 N -2.31 0.59 0.00 2.72 -6.30 -0.33 -2.94 118.70 110.14 2roe s GLU 43 Ca 0.05 -0.32 0.00 0.00 -2.50 0.00 0.00 54.97 52.20 2roe s GLU 43 Cb -0.07 -1.93 0.00 0.00 0.00 0.00 0.00 34.13 32.13 2roe s GLU 43 CO 0.03 -0.60 0.00 0.41 0.02 0.00 0.00 175.26 175.12 2roe n GLY 44 N 5.08 -2.44 0.66 -1.50 0.00 -1.26 -0.97 105.19 104.75 2roe n GLY 44 Ca -0.08 -1.28 0.13 0.00 0.00 0.00 0.00 46.02 44.79 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 1.38 0.00 -1.85 2.61 -2.24 0.70 -4.77 114.28 110.11 2roe n THR 45 Ca 0.00 -0.34 -0.39 0.00 -2.27 0.00 0.00 64.05 61.05 2roe n THR 45 Cb 0.00 0.94 0.03 0.00 -2.10 0.00 0.00 70.33 69.19 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 -2.06 3.00 0.40 6.98 0.00 -1.04 -4.97 121.76 124.07 2roe s ALA 46 Ca 0.32 1.34 -0.21 0.00 0.00 0.00 0.00 51.96 53.41 2roe s ALA 46 Cb 0.20 -3.55 -0.11 0.00 0.00 0.00 0.00 23.12 19.66 2roe s ALA 46 CO 0.35 -1.21 0.92 -0.51 0.00 0.00 0.00 175.76 175.30 2roe s ASP 47 N -0.83 6.97 0.29 0.00 1.01 -1.26 -5.00 116.67 117.85 2roe s ASP 47 Ca 0.66 1.65 -0.02 0.00 0.71 0.00 0.00 52.55 55.55 2roe s ASP 47 Cb -0.40 -2.52 0.43 0.00 1.01 0.00 0.00 42.92 41.43 2roe s ASP 47 CO 0.49 -0.30 1.95 1.55 0.21 0.00 0.00 175.17 179.08 2roe h PRO 48 N 2.12 1.12 -0.26 8.23 0.13 -2.01 -2.88 132.00 138.45 2roe h PRO 48 Ca -0.49 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.56 2roe h PRO 48 Cb 1.18 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 2roe h PRO 48 CO 0.62 0.74 0.10 0.87 -0.23 0.00 0.00 178.00 180.10 2roe h LYS 49 N 1.15 0.39 -0.05 0.86 6.56 -2.01 -2.58 116.57 120.89 2roe h LYS 49 Ca 0.33 -0.07 0.01 0.00 -1.06 0.00 0.00 60.65 59.86 2roe h LYS 49 Cb -0.08 -0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 31.52 2roe h LYS 49 CO -0.08 0.43 0.05 0.00 -2.06 0.00 0.00 179.45 177.78 2roe h ALA 50 N 0.94 1.78 0.30 3.86 0.00 -1.92 -1.86 119.26 122.37 2roe h ALA 50 Ca 0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2roe h ALA 50 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2roe h ALA 50 CO -0.01 -0.07 -0.15 -0.07 0.00 0.00 0.00 179.25 178.96 2roe h LEU 51 N 0.00 -0.35 -0.57 0.00 3.38 -1.37 -2.73 115.31 113.68 2roe h LEU 51 Ca 0.02 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.86 2roe h LEU 51 Cb 0.11 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2roe h LEU 51 CO -0.00 0.12 0.30 1.62 0.09 0.00 0.00 178.44 180.57 2roe h VAL 52 N -0.95 0.96 -0.58 1.22 3.04 -1.31 -2.72 116.25 115.92 2roe h VAL 52 Ca -0.04 -0.20 0.12 0.00 -1.01 0.00 0.00 66.70 65.57 2roe h VAL 52 Cb 0.50 0.34 -0.09 0.00 -2.01 0.00 0.00 31.29 30.03 2roe h VAL 52 CO 0.07 0.10 0.05 -0.61 -1.01 0.00 0.00 177.57 176.17 2roe h GLN 53 N 0.57 0.16 0.00 4.17 4.15 -1.41 -0.26 115.11 122.49 2roe h GLN 53 Ca 0.25 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 2roe h GLN 53 Cb 0.15 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 2roe h GLN 53 CO -0.17 0.11 -0.03 0.00 -1.93 0.00 0.00 178.83 176.80 2roe h ALA 54 N 1.50 1.06 0.08 3.38 0.00 -1.15 -2.42 119.26 121.72 2roe h ALA 54 Ca 0.30 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.85 2roe h ALA 54 Cb 0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2roe h ALA 54 CO -0.45 0.04 -1.80 0.28 0.00 0.00 0.00 179.25 177.32 2roe h VAL 55 N 0.00 0.81 -0.30 0.00 2.07 -1.04 -3.32 116.25 114.47 2roe h VAL 55 Ca -0.00 -2.56 -0.05 0.00 0.82 0.00 0.00 66.70 64.91 2roe h VAL 55 Cb 0.31 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 2roe h VAL 55 CO 0.00 0.74 -0.02 -0.33 0.02 0.00 0.00 177.57 177.99 2roe h GLU 56 N 0.05 0.46 0.00 1.57 5.08 -0.96 -1.67 114.58 119.10 2roe h GLU 56 Ca -0.34 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 57.90 2roe h GLU 56 Cb 2.02 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 31.20 2roe h GLU 56 CO 0.10 0.50 -0.13 0.93 -1.00 0.00 0.00 179.01 179.42 2roe h GLU 57 N 0.44 0.00 -0.00 2.33 5.08 -1.54 -1.15 114.58 119.74 2roe h GLU 57 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2roe h GLU 57 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2roe h GLU 57 CO 0.01 0.13 -0.04 0.39 -1.00 0.00 0.00 179.01 178.50 2roe n GLU 58 N -3.76 0.66 -0.32 2.33 -0.58 -0.64 -4.92 120.64 113.41 2roe n GLU 58 Ca -0.02 -0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 2roe n GLU 58 Cb 0.23 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 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 1.23 0.80 3.84 0.62 0.00 -0.44 -5.10 105.19 106.15 2roe n GLY 59 Ca 0.16 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 1.84 -0.23 1.61 2.02 -1.18 -5.05 117.35 114.36 2roe s TYR 60 Ca 0.00 -0.84 -0.01 0.00 -0.37 0.00 0.00 57.07 55.85 2roe s TYR 60 Cb 0.00 -1.84 0.02 0.00 -0.40 0.00 0.00 41.96 39.75 2roe s TYR 60 CO 0.00 -0.17 -0.09 0.15 -1.57 0.00 0.00 175.55 173.87 2roe s LYS 61 N -4.11 2.90 0.17 -0.62 1.02 -0.96 -4.15 119.74 113.98 2roe s LYS 61 Ca 0.27 -0.93 0.10 0.00 0.02 0.00 0.00 55.97 55.43 2roe s LYS 61 Cb -0.00 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 2roe s LYS 61 CO 0.16 -0.35 -0.20 0.00 -0.92 0.00 0.00 175.35 174.04 2roe s ALA 62 N 1.32 2.18 -0.19 5.17 0.00 -1.26 -0.84 121.76 128.15 2roe s ALA 62 Ca 0.01 -1.53 -0.16 0.00 0.00 0.00 0.00 51.96 50.28 2roe s ALA 62 Cb -0.16 -0.24 0.05 0.00 0.00 0.00 0.00 23.12 22.77 2roe s ALA 62 CO -0.06 0.31 0.49 -1.83 0.00 0.00 0.00 175.76 174.68 2roe s GLU 63 N -2.69 0.56 0.29 0.00 -1.05 -0.32 -4.97 118.70 110.53 2roe s GLU 63 Ca 0.17 0.72 -0.29 0.00 -0.15 0.00 0.00 54.97 55.42 2roe s GLU 63 Cb -0.07 0.24 -0.10 0.00 -0.44 0.00 0.00 34.13 33.76 2roe s GLU 63 CO 0.08 -0.08 1.11 0.08 0.95 0.00 0.00 175.26 177.39 2roe s VAL 64 N 0.47 3.44 -0.39 1.83 1.01 -1.26 -0.38 120.40 125.12 2roe s VAL 64 Ca -0.02 1.43 0.14 0.00 0.00 0.00 0.00 61.98 63.54 2roe s VAL 64 Cb -0.04 -3.90 0.78 0.00 0.00 0.00 0.00 36.38 33.21 2roe s VAL 64 CO -0.02 0.33 1.68 0.18 0.00 0.00 0.00 175.10 177.27 2roe n LEU 65 N 1.08 5.42 0.00 3.92 4.77 -0.43 -4.86 117.00 126.91 2roe n LEU 65 Ca -0.01 -2.75 0.00 0.00 -0.03 0.00 0.00 56.01 53.22 2roe n LEU 65 Cb 0.45 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2roe n LEU 65 CO 0.54 0.63 0.00 0.00 -1.33 0.00 0.00 177.39 177.23