#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 3.75 0.05 -0.89 1.43 -0.94 -4.80 118.68 117.28 2roe s LEU 2 Ca 0.00 2.29 0.07 0.00 -1.03 0.00 0.00 54.13 55.46 2roe s LEU 2 Cb 0.00 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 2roe s LEU 2 CO 0.00 -1.33 -0.18 -0.54 0.23 0.00 0.00 176.35 174.52 2roe s LYS 3 N -3.22 2.03 -0.06 1.70 3.01 -1.26 -2.15 119.74 119.78 2roe s LYS 3 Ca 0.73 -1.01 -0.05 0.00 -1.01 0.00 0.00 55.97 54.63 2roe s LYS 3 Cb -0.27 -2.17 0.02 0.00 -1.01 0.00 0.00 37.83 34.39 2roe s LYS 3 CO 0.31 0.53 0.15 -0.51 0.51 0.00 0.00 175.35 176.34 2roe s LEU 4 N -1.53 1.36 -0.36 3.17 1.43 -0.35 -1.51 118.68 120.88 2roe s LEU 4 Ca 0.15 0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 53.46 2roe s LEU 4 Cb -0.10 0.51 0.02 0.00 0.03 0.00 0.00 46.19 46.65 2roe s LEU 4 CO 0.06 -0.06 0.18 -0.75 0.23 0.00 0.00 176.35 176.01 2roe s LYS 5 N 0.18 2.89 0.51 1.70 2.20 0.39 -1.09 119.74 126.51 2roe s LYS 5 Ca -0.01 -1.03 -0.04 0.00 -0.36 0.00 0.00 55.97 54.53 2roe s LYS 5 Cb -0.02 -3.66 -0.01 0.00 -1.51 0.00 0.00 37.83 32.62 2roe s LYS 5 CO -0.00 -0.64 0.79 0.08 -0.36 0.00 0.00 175.35 175.22 2roe s VAL 6 N 1.54 4.30 -0.20 4.02 1.01 -0.38 -2.04 120.40 128.66 2roe s VAL 6 Ca 0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 2roe s VAL 6 Cb -0.19 -3.65 0.08 0.00 0.00 0.00 0.00 36.38 32.63 2roe s VAL 6 CO 0.06 -0.60 0.43 -0.70 0.00 0.00 0.00 175.10 174.29 2roe s GLU 7 N -4.77 0.36 0.00 2.72 -6.30 0.05 -4.75 118.70 106.00 2roe s GLU 7 Ca 0.49 1.00 0.00 0.00 -2.50 0.00 0.00 54.97 53.96 2roe s GLU 7 Cb -0.10 0.27 0.00 0.00 0.00 0.00 0.00 34.13 34.29 2roe s GLU 7 CO 0.43 -0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.90 2roe n GLY 8 N 5.11 1.48 3.67 -1.50 0.00 -1.26 -1.35 105.19 111.35 2roe n GLY 8 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 4.27 0.00 1.61 -1.94 -1.26 -4.88 119.30 117.10 2roe s MET 9 Ca 0.00 1.75 0.00 0.00 -1.71 0.00 0.00 55.69 55.73 2roe s MET 9 Cb 0.00 -3.69 0.00 0.00 2.01 0.00 0.00 34.83 33.15 2roe s MET 9 CO 0.00 -0.62 0.00 0.25 -0.01 0.00 0.00 175.02 174.64 2roe n THR 10 N 5.04 0.00 -4.21 2.05 -2.24 -1.26 -5.00 114.28 108.66 2roe n THR 10 Ca 0.13 -0.37 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 2roe n THR 10 Cb 0.45 0.89 -0.10 0.00 -2.10 0.00 0.00 70.33 69.46 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 2.73 0.00 -0.71 0.00 2.35 -2.01 -1.55 115.58 116.39 2roe h ASN 12 Ca -0.36 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.38 2roe h ASN 12 Cb 1.21 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.54 2roe h ASN 12 CO 0.61 0.02 0.40 0.45 -1.65 0.00 0.00 177.43 177.26 2roe h HIS 13 N 0.00 0.97 -0.83 1.19 3.86 -1.99 -2.32 115.15 116.03 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 0.04 -0.31 -0.04 0.00 1.06 0.00 0.00 27.41 28.16 2roe h HIS 13 CO 0.00 0.68 0.44 0.00 0.86 0.00 0.00 177.93 179.91 2roe h VAL 15 N 1.16 0.69 -0.46 0.00 2.07 -1.49 0.19 116.25 118.40 2roe h VAL 15 Ca 0.29 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.76 2roe h VAL 15 Cb 0.05 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2roe h VAL 15 CO -0.04 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.65 2roe h MET 16 N -0.41 0.74 0.33 1.57 -0.00 -1.15 -1.04 114.93 114.98 2roe h MET 16 Ca -0.04 -0.18 0.00 0.00 -0.00 0.00 0.00 59.70 59.49 2roe h MET 16 Cb 0.32 -0.10 -0.03 0.00 -0.00 0.00 0.00 31.60 31.80 2roe h MET 16 CO 0.05 0.73 -0.41 0.00 -0.00 0.00 0.00 176.91 177.29 2roe h ALA 17 N 0.97 -0.85 -0.81 -3.00 0.00 -0.59 -0.78 119.26 114.20 2roe h ALA 17 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2roe h ALA 17 Cb 0.33 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2roe h ALA 17 CO 0.00 -1.02 0.51 -0.24 0.00 0.00 0.00 179.25 178.50 2roe h VAL 18 N -0.78 1.22 -0.80 0.00 3.04 -0.95 -2.07 116.25 115.91 2roe h VAL 18 Ca -0.02 -0.44 0.04 0.00 -1.01 0.00 0.00 66.70 65.27 2roe h VAL 18 Cb 0.72 0.05 -0.05 0.00 -2.01 0.00 0.00 31.29 29.99 2roe h VAL 18 CO -0.11 0.22 0.50 0.74 -1.01 0.00 0.00 177.57 177.91 2roe h THR 19 N 1.11 1.08 -0.32 3.17 2.02 -0.47 0.11 112.91 119.61 2roe h THR 19 Ca 0.30 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 2roe h THR 19 Cb -0.09 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.36 2roe h THR 19 CO -0.06 0.17 -0.09 0.11 0.37 0.00 0.00 175.52 176.03 2roe h LYS 20 N 0.95 0.63 -0.49 6.66 6.56 -0.49 -2.86 116.57 127.53 2roe h LYS 20 Ca 0.33 -0.25 -0.07 0.00 -1.06 0.00 0.00 60.65 59.61 2roe h LYS 20 Cb 0.08 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.69 2roe h LYS 20 CO -0.14 0.81 0.04 0.00 -2.06 0.00 0.00 179.45 178.10 2roe h ALA 21 N 0.80 1.14 -0.52 3.86 0.00 -0.91 -2.36 119.26 121.27 2roe h ALA 21 Ca 0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2roe h ALA 21 Cb 0.59 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2roe h ALA 21 CO 0.03 0.56 0.19 -0.07 0.00 0.00 0.00 179.25 179.97 2roe h LEU 22 N 0.75 0.68 0.00 0.00 3.38 -0.71 -0.52 115.31 118.89 2roe h LEU 22 Ca 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2roe h LEU 22 Cb 0.40 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2roe h LEU 22 CO 0.01 0.63 0.00 0.29 0.09 0.00 0.00 178.44 179.46 2roe n LYS 23 N -4.33 0.13 0.20 1.13 5.02 -0.89 -2.57 118.16 116.85 2roe n LYS 23 Ca 0.04 0.20 0.14 0.00 -2.02 0.00 0.00 58.31 56.67 2roe n LYS 23 Cb 0.17 -1.50 0.51 0.00 -0.02 0.00 0.00 35.03 34.18 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 -6.58 1.97 1.79 -1.08 -3.46 116.57 109.21 2roe h LYS 24 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 2roe h LYS 24 Cb 0.17 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2roe h LYS 24 CO 0.00 0.00 0.47 0.08 -1.08 0.00 0.00 179.45 178.92 2roe s VAL 25 N -3.41 4.08 -0.37 0.50 1.01 -1.06 -4.98 120.40 116.17 2roe s VAL 25 Ca 0.04 1.67 -0.28 0.00 0.00 0.00 0.00 61.98 63.41 2roe s VAL 25 Cb 0.09 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 2roe s VAL 25 CO 0.53 0.23 1.86 -2.16 0.00 0.00 0.00 175.10 175.56 2roe s PRO 26 N 0.18 3.18 0.00 2.72 0.04 -1.26 -2.47 135.00 137.38 2roe s PRO 26 Ca 0.52 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2roe s PRO 26 Cb -0.28 -4.25 0.00 0.00 0.04 0.00 0.00 34.50 30.01 2roe s PRO 26 CO 0.32 -2.05 0.00 0.41 0.04 0.00 0.00 177.00 175.72 2roe n GLY 27 N 5.50 1.69 3.76 0.56 0.00 -1.26 -4.36 105.19 111.08 2roe n GLY 27 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 2roe n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2roe s VAL 28 N -1.35 2.26 0.06 1.61 0.11 -1.03 -0.11 120.40 121.94 2roe s VAL 28 Ca 0.00 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 2roe s VAL 28 Cb 0.00 -3.12 0.00 0.00 -1.53 0.00 0.00 36.38 31.73 2roe s VAL 28 CO 0.00 0.02 0.00 -0.62 -3.33 0.00 0.00 175.10 171.17 2roe n GLU 29 N -0.46 0.00 -3.98 1.54 1.02 -1.26 -4.86 120.64 112.65 2roe n GLU 29 Ca 0.07 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.12 2roe n GLU 29 Cb 0.44 -0.43 -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 0.34 0.01 3.49 2.20 -1.26 -4.94 119.74 117.58 2roe s LYS 30 Ca 0.00 -0.62 0.03 0.00 -0.36 0.00 0.00 55.97 55.02 2roe s LYS 30 Cb 0.00 0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.43 2roe s LYS 30 CO 0.00 -0.06 -0.09 0.08 -0.36 0.00 0.00 175.35 174.92 2roe s VAL 31 N -1.57 0.73 -0.36 4.02 1.01 -1.26 -1.46 120.40 121.50 2roe s VAL 31 Ca -0.15 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2roe s VAL 31 Cb -0.09 -0.65 0.11 0.00 0.00 0.00 0.00 36.38 35.76 2roe s VAL 31 CO -0.01 0.07 0.13 -0.70 0.00 0.00 0.00 175.10 174.60 2roe s GLU 32 N -0.56 1.08 0.13 2.72 -6.30 0.22 -4.95 118.70 111.04 2roe s GLU 32 Ca 0.01 -1.56 0.05 0.00 -2.50 0.00 0.00 54.97 50.98 2roe s GLU 32 Cb -0.05 -2.38 -0.04 0.00 0.00 0.00 0.00 34.13 31.66 2roe s GLU 32 CO 0.00 -1.03 0.04 0.08 0.02 0.00 0.00 175.26 174.37 2roe s VAL 33 N 1.04 4.10 -0.09 3.70 1.01 -1.26 -1.20 120.40 127.70 2roe s VAL 33 Ca 0.13 -1.13 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 2roe s VAL 33 Cb -0.20 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 33.18 2roe s VAL 33 CO -0.13 -0.01 0.24 -0.55 0.00 0.00 0.00 175.10 174.65 2roe s SER 34 N -2.72 -0.25 0.00 3.32 0.15 -0.81 -5.01 113.70 108.39 2roe s SER 34 Ca 0.28 0.49 -0.25 0.00 0.70 0.00 0.00 55.95 57.17 2roe s SER 34 Cb -0.11 0.48 -0.18 0.00 -1.71 0.00 0.00 66.02 64.50 2roe s SER 34 CO 0.20 -0.10 1.28 0.25 1.20 0.00 0.00 173.24 176.07 2roe h LEU 35 N 6.02 -0.16 -1.20 3.45 5.85 -1.92 0.65 115.31 128.01 2roe h LEU 35 Ca -0.28 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.18 2roe h LEU 35 Cb 1.19 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 2roe h LEU 35 CO 0.36 0.23 0.55 1.05 -0.34 0.00 0.00 178.44 180.29 2roe h GLU 36 N -0.57 1.02 0.00 1.25 4.11 -1.97 -2.49 114.58 115.94 2roe h GLU 36 Ca -0.02 -0.06 -0.17 0.00 0.07 0.00 0.00 59.36 59.18 2roe h GLU 36 Cb 0.44 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2roe h GLU 36 CO 0.03 0.68 -1.15 0.87 0.07 0.00 0.00 179.01 179.50 2roe h LYS 37 N 1.05 0.00 -4.40 1.06 1.57 -1.98 -3.48 116.57 110.39 2roe h LYS 37 Ca 0.33 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.71 2roe h LYS 37 Cb 0.02 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.39 2roe h LYS 37 CO -0.10 0.44 -0.60 0.41 -0.57 0.00 0.00 179.45 179.03 2roe n GLY 38 N 1.36 -0.50 3.18 3.86 0.00 0.22 -4.96 105.19 108.35 2roe n GLY 38 Ca -0.06 0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -5.69 0.86 -0.03 1.61 2.02 -1.21 -1.25 118.70 115.01 2roe s GLU 39 Ca 0.30 -1.28 0.03 0.00 0.02 0.00 0.00 54.97 54.04 2roe s GLU 39 Cb -0.13 -0.35 0.00 0.00 0.10 0.00 0.00 34.13 33.74 2roe s GLU 39 CO 0.37 0.02 -0.12 0.00 0.02 0.00 0.00 175.26 175.55 2roe s ALA 40 N -3.19 1.13 0.07 5.21 0.00 -0.25 -1.91 121.76 122.83 2roe s ALA 40 Ca 0.10 -0.47 0.09 0.00 0.00 0.00 0.00 51.96 51.68 2roe s ALA 40 Cb 0.02 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 2roe s ALA 40 CO -0.02 0.19 -0.24 -0.51 0.00 0.00 0.00 175.76 175.18 2roe s LEU 41 N 0.16 2.22 -0.02 0.00 2.01 -0.34 -1.21 118.68 121.50 2roe s LEU 41 Ca -0.04 -0.62 0.02 0.00 0.01 0.00 0.00 54.13 53.50 2roe s LEU 41 Cb -0.10 -1.11 0.00 0.00 0.01 0.00 0.00 46.19 44.99 2roe s LEU 41 CO 0.01 0.18 -0.09 -0.69 1.01 0.00 0.00 176.35 176.77 2roe s VAL 42 N -0.92 0.75 -0.49 -1.59 1.01 -0.92 -0.61 120.40 117.63 2roe s VAL 42 Ca 0.10 -0.35 0.19 0.00 0.00 0.00 0.00 61.98 61.92 2roe s VAL 42 Cb -0.10 -0.66 -0.24 0.00 0.00 0.00 0.00 36.38 35.38 2roe s VAL 42 CO 0.03 0.23 0.62 1.21 0.00 0.00 0.00 175.10 177.19 2roe n GLU 43 N 3.21 0.76 -0.85 2.72 2.13 -0.53 -2.22 120.64 125.86 2roe n GLU 43 Ca -0.17 -0.08 -0.15 0.00 0.66 0.00 0.00 57.16 57.42 2roe n GLU 43 Cb 0.55 -1.41 0.11 0.00 0.27 0.00 0.00 31.44 30.96 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 1.43 -1.73 0.91 8.31 0.00 -1.26 -4.80 105.19 108.06 2roe n GLY 44 Ca 0.00 -1.62 0.06 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.19 0.79 -1.63 2.61 -2.24 0.85 -4.85 114.28 106.61 2roe n THR 45 Ca 0.08 -0.63 -0.38 0.00 -2.27 0.00 0.00 64.05 60.85 2roe n THR 45 Cb 0.30 0.15 0.05 0.00 -2.10 0.00 0.00 70.33 68.74 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 0.69 0.36 -1.77 6.98 0.00 -1.21 -4.76 120.51 120.79 2roe n ALA 46 Ca 0.15 0.02 -0.38 0.00 0.00 0.00 0.00 53.44 53.23 2roe n ALA 46 Cb 0.46 -2.14 -0.06 0.00 0.00 0.00 0.00 19.45 17.70 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 -1.22 7.36 0.13 0.00 1.01 -1.26 -4.97 116.67 117.72 2roe s ASP 47 Ca 0.76 1.93 -0.19 0.00 0.71 0.00 0.00 52.55 55.75 2roe s ASP 47 Cb -0.42 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 40.89 2roe s ASP 47 CO 0.47 -0.05 1.77 1.55 0.21 0.00 0.00 175.17 179.11 2roe h PRO 48 N 3.42 0.26 -0.91 8.23 0.13 -2.00 -1.78 132.00 139.35 2roe h PRO 48 Ca -0.46 -0.02 0.04 0.00 -0.87 0.00 0.00 66.00 64.69 2roe h PRO 48 Cb 1.20 -0.06 -0.05 0.00 0.13 0.00 0.00 31.00 32.22 2roe h PRO 48 CO 0.66 0.17 0.60 1.57 -0.23 0.00 0.00 178.00 180.76 2roe h LYS 49 N 0.26 1.10 0.00 0.86 2.10 -2.01 -0.99 116.57 117.90 2roe h LYS 49 Ca 0.10 -0.07 -0.08 0.00 -2.00 0.00 0.00 60.65 58.60 2roe h LYS 49 Cb 0.02 -0.25 -0.01 0.00 -0.90 0.00 0.00 32.23 31.09 2roe h LYS 49 CO -0.06 0.73 -0.39 0.00 -2.00 0.00 0.00 179.45 177.72 2roe h ALA 50 N 1.47 1.31 0.42 0.07 0.00 -1.80 -2.14 119.26 118.58 2roe h ALA 50 Ca 0.36 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2roe h ALA 50 Cb 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2roe h ALA 50 CO -0.11 0.49 -0.20 -0.07 0.00 0.00 0.00 179.25 179.36 2roe h LEU 51 N 0.00 -0.47 -0.74 0.00 3.38 -0.36 -2.20 115.31 114.92 2roe h LEU 51 Ca -0.00 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.89 2roe h LEU 51 Cb 0.72 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 2roe h LEU 51 CO 0.05 -0.15 0.47 1.62 0.09 0.00 0.00 178.44 180.52 2roe h VAL 52 N -0.82 1.11 -0.25 1.22 3.04 -1.43 -2.73 116.25 116.39 2roe h VAL 52 Ca -0.06 -0.32 0.06 0.00 -1.01 0.00 0.00 66.70 65.38 2roe h VAL 52 Cb 0.54 0.11 -0.07 0.00 -2.01 0.00 0.00 31.29 29.86 2roe h VAL 52 CO 0.09 0.17 -0.22 -0.61 -1.01 0.00 0.00 177.57 175.99 2roe h GLN 53 N 0.92 -0.21 -0.03 4.17 -0.00 -1.36 -1.23 115.11 117.38 2roe h GLN 53 Ca 0.30 0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.97 2roe h GLN 53 Cb 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 27.48 27.53 2roe h GLN 53 CO -0.11 -0.14 0.06 0.00 0.00 0.00 0.00 178.83 178.65 2roe h ALA 54 N 0.87 1.36 0.14 3.38 0.00 -1.07 -0.79 119.26 123.15 2roe h ALA 54 Ca 0.14 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.71 2roe h ALA 54 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2roe h ALA 54 CO -0.38 -0.08 -1.79 0.28 0.00 0.00 0.00 179.25 177.28 2roe h VAL 55 N 0.00 0.87 -0.05 0.00 2.07 -1.20 -3.35 116.25 114.58 2roe h VAL 55 Ca 0.02 -2.52 -0.12 0.00 0.82 0.00 0.00 66.70 64.89 2roe h VAL 55 Cb 0.14 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2roe h VAL 55 CO -0.00 0.84 -0.51 -0.33 0.02 0.00 0.00 177.57 177.58 2roe h GLU 56 N 0.08 0.13 0.00 1.57 5.08 -0.61 -2.68 114.58 118.16 2roe h GLU 56 Ca -0.35 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 2roe h GLU 56 Cb 2.06 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.31 2roe h GLU 56 CO 0.14 0.62 -0.06 1.05 -1.00 0.00 0.00 179.01 179.76 2roe h GLU 57 N 0.11 0.00 0.00 2.33 4.11 -1.31 -0.47 114.58 119.35 2roe h GLU 57 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2roe h GLU 57 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2roe h GLU 57 CO 0.07 0.06 -0.43 0.39 0.07 0.00 0.00 179.01 179.17 2roe n GLU 58 N -3.42 0.15 0.00 1.06 -0.58 -1.03 -4.96 120.64 111.85 2roe n GLU 58 Ca -0.02 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 2roe n GLU 58 Cb 0.20 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 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 1.41 0.55 3.89 0.62 0.00 -0.19 -5.10 105.19 106.38 2roe n GLY 59 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 3.26 -0.36 1.61 2.02 -1.09 -4.98 117.35 115.82 2roe s TYR 60 Ca 0.00 0.90 -0.16 0.00 -0.37 0.00 0.00 57.07 57.45 2roe s TYR 60 Cb 0.00 -3.03 -0.00 0.00 -0.40 0.00 0.00 41.96 38.53 2roe s TYR 60 CO 0.00 -1.15 0.37 0.15 -1.57 0.00 0.00 175.55 173.36 2roe s LYS 61 N -5.28 3.44 0.21 -0.62 -0.14 -0.45 -4.02 119.74 112.87 2roe s LYS 61 Ca 0.57 -0.51 0.10 0.00 -1.36 0.00 0.00 55.97 54.77 2roe s LYS 61 Cb -0.11 -3.84 -0.05 0.00 -1.68 0.00 0.00 37.83 32.15 2roe s LYS 61 CO 0.50 -0.60 -0.20 0.00 -0.76 0.00 0.00 175.35 174.29 2roe s ALA 62 N 2.03 2.34 -0.23 5.17 0.00 -1.26 -0.77 121.76 129.04 2roe s ALA 62 Ca 0.12 -1.65 -0.20 0.00 0.00 0.00 0.00 51.96 50.22 2roe s ALA 62 Cb -0.17 -0.23 0.06 0.00 0.00 0.00 0.00 23.12 22.78 2roe s ALA 62 CO 0.12 0.28 0.60 -2.00 0.00 0.00 0.00 175.76 174.76 2roe s GLU 63 N -3.06 0.70 0.26 0.00 2.12 -0.87 -5.00 118.70 112.85 2roe s GLU 63 Ca 0.22 0.85 -0.29 0.00 0.36 0.00 0.00 54.97 56.10 2roe s GLU 63 Cb -0.05 0.33 -0.09 0.00 0.26 0.00 0.00 34.13 34.57 2roe s GLU 63 CO 0.10 -0.09 0.97 0.08 -0.54 0.00 0.00 175.26 175.78 2roe s VAL 64 N 0.40 3.97 -0.72 3.70 1.01 -1.26 -0.46 120.40 127.03 2roe s VAL 64 Ca -0.01 1.95 0.00 0.00 0.00 0.00 0.00 61.98 63.92 2roe s VAL 64 Cb -0.04 -4.22 0.37 0.00 0.00 0.00 0.00 36.38 32.49 2roe s VAL 64 CO -0.00 0.43 1.70 0.18 0.00 0.00 0.00 175.10 177.40 2roe n LEU 65 N 1.32 6.54 0.00 3.92 4.77 -0.57 -4.88 117.00 128.11 2roe n LEU 65 Ca -0.01 -5.02 0.00 0.00 -0.03 0.00 0.00 56.01 50.95 2roe n LEU 65 Cb 0.47 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 2roe n LEU 65 CO 0.50 1.95 0.04 0.00 -1.33 0.00 0.00 177.39 178.55