#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 3.42 -0.03 -0.89 1.43 -1.12 -4.94 118.68 116.56 2roe s LEU 2 Ca 0.00 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 2roe s LEU 2 Cb 0.00 -2.77 0.03 0.00 0.03 0.00 0.00 46.19 43.47 2roe s LEU 2 CO 0.00 -1.00 0.02 -0.75 0.23 0.00 0.00 176.35 174.85 2roe s LYS 3 N -4.60 0.12 0.17 1.70 2.20 -1.26 -3.07 119.74 115.00 2roe s LYS 3 Ca 0.57 0.15 0.08 0.00 -0.36 0.00 0.00 55.97 56.40 2roe s LYS 3 Cb -0.10 -0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 35.79 2roe s LYS 3 CO 0.36 -0.17 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.51 2roe s LEU 4 N 1.13 2.46 -0.08 5.43 1.43 0.78 -0.83 118.68 129.01 2roe s LEU 4 Ca -0.08 -0.89 0.02 0.00 -1.03 0.00 0.00 54.13 52.14 2roe s LEU 4 Cb -0.13 -0.77 -0.02 0.00 0.03 0.00 0.00 46.19 45.30 2roe s LEU 4 CO -0.02 -0.08 -0.13 -0.75 0.23 0.00 0.00 176.35 175.60 2roe s LYS 5 N -2.98 2.88 -0.04 1.70 2.20 0.39 -0.89 119.74 123.00 2roe s LYS 5 Ca 0.17 -0.68 0.06 0.00 -0.36 0.00 0.00 55.97 55.16 2roe s LYS 5 Cb -0.04 -2.50 -0.02 0.00 -1.51 0.00 0.00 37.83 33.76 2roe s LYS 5 CO 0.06 0.47 -0.24 0.08 -0.36 0.00 0.00 175.35 175.36 2roe s VAL 6 N -0.31 2.19 -0.05 4.02 1.01 0.02 -1.49 120.40 125.78 2roe s VAL 6 Ca 0.03 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.98 2roe s VAL 6 Cb -0.13 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.49 2roe s VAL 6 CO 0.03 0.58 -0.06 -1.61 0.00 0.00 0.00 175.10 174.03 2roe s GLU 7 N -0.39 1.04 0.00 2.72 2.02 0.47 -4.71 118.70 119.85 2roe s GLU 7 Ca 0.03 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 54.85 2roe s GLU 7 Cb -0.12 -1.00 0.00 0.00 0.10 0.00 0.00 34.13 33.11 2roe s GLU 7 CO 0.01 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.63 2roe n GLY 8 N 4.09 1.59 3.73 -1.39 0.00 -1.26 -1.32 105.19 110.63 2roe n GLY 8 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 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 4.49 0.00 1.61 -1.94 -1.26 -4.90 119.30 117.30 2roe s MET 9 Ca 0.00 1.81 0.00 0.00 -1.71 0.00 0.00 55.69 55.79 2roe s MET 9 Cb 0.00 -3.28 0.00 0.00 2.01 0.00 0.00 34.83 33.56 2roe s MET 9 CO 0.00 -0.12 0.00 0.25 -0.01 0.00 0.00 175.02 175.14 2roe n THR 10 N 2.97 0.00 -4.19 2.05 -2.24 -1.26 -5.08 114.28 106.53 2roe n THR 10 Ca 0.06 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.72 2roe n THR 10 Cb 0.45 0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.63 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 2.71 0.79 -0.40 0.00 2.35 -2.01 -1.93 115.58 117.09 2roe h ASN 12 Ca -0.36 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.44 2roe h ASN 12 Cb 1.23 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.41 2roe h ASN 12 CO 0.57 0.50 0.27 0.45 -1.65 0.00 0.00 177.43 177.56 2roe h HIS 13 N 0.89 0.38 -0.44 1.19 3.86 -1.99 -0.51 115.15 118.53 2roe h HIS 13 Ca 0.37 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.55 2roe h HIS 13 Cb 0.27 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 2roe h HIS 13 CO -0.00 0.22 0.12 0.00 0.86 0.00 0.00 177.93 179.12 2roe h VAL 15 N 0.63 1.35 -0.15 0.00 2.07 -1.21 -2.69 116.25 116.26 2roe h VAL 15 Ca 0.15 -1.51 -0.04 0.00 0.82 0.00 0.00 66.70 66.12 2roe h VAL 15 Cb 0.22 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 2roe h VAL 15 CO -0.01 0.37 -0.11 0.00 0.02 0.00 0.00 177.57 177.85 2roe h MET 16 N -0.75 0.23 0.70 1.57 -0.00 -1.19 0.03 114.93 115.52 2roe h MET 16 Ca -0.01 -0.05 -0.03 0.00 -0.00 0.00 0.00 59.70 59.61 2roe h MET 16 Cb 0.64 -0.03 0.01 0.00 -0.00 0.00 0.00 31.60 32.22 2roe h MET 16 CO 0.01 0.35 -0.34 0.00 -0.00 0.00 0.00 176.91 176.93 2roe h ALA 17 N 1.68 -0.94 -0.61 -3.00 0.00 -1.19 -2.62 119.26 112.57 2roe h ALA 17 Ca 0.05 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2roe h ALA 17 Cb 0.33 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2roe h ALA 17 CO 0.02 -0.91 0.41 -0.24 0.00 0.00 0.00 179.25 178.52 2roe h VAL 18 N -1.18 1.02 -0.73 0.00 3.04 -1.31 -0.82 116.25 116.28 2roe h VAL 18 Ca -0.10 -0.22 0.06 0.00 -1.01 0.00 0.00 66.70 65.44 2roe h VAL 18 Cb 0.75 0.33 -0.06 0.00 -2.01 0.00 0.00 31.29 30.30 2roe h VAL 18 CO 0.16 0.12 0.42 0.74 -1.01 0.00 0.00 177.57 177.99 2roe h THR 19 N 0.63 0.97 -0.30 3.17 2.02 -0.86 0.17 112.91 118.71 2roe h THR 19 Ca 0.26 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 2roe h THR 19 Cb 0.22 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 2roe h THR 19 CO -0.08 0.14 -0.04 0.11 0.37 0.00 0.00 175.52 176.02 2roe h LYS 20 N 0.75 0.56 -0.76 6.66 1.57 -0.78 -2.74 116.57 121.83 2roe h LYS 20 Ca 0.33 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2roe h LYS 20 Cb 0.21 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 2roe h LYS 20 CO -0.19 0.73 0.44 0.00 -0.57 0.00 0.00 179.45 179.87 2roe h ALA 21 N 0.81 0.97 -0.24 3.86 0.00 -0.87 -2.42 119.26 121.37 2roe h ALA 21 Ca 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2roe h ALA 21 Cb 0.51 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2roe h ALA 21 CO 0.02 0.46 0.04 -0.07 0.00 0.00 0.00 179.25 179.71 2roe h LEU 22 N 1.05 0.30 0.00 0.00 3.38 -0.64 -1.54 115.31 117.87 2roe h LEU 22 Ca 0.27 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2roe h LEU 22 Cb -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2roe h LEU 22 CO -0.05 0.32 0.00 0.29 0.09 0.00 0.00 178.44 179.10 2roe n LYS 23 N -4.39 0.51 0.16 1.13 5.02 -0.92 -3.40 118.16 116.28 2roe n LYS 23 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 2roe n LYS 23 Cb 0.16 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.74 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 -6.47 1.97 1.79 -1.20 -3.46 116.57 109.20 2roe h LYS 24 Ca 0.00 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.90 2roe h LYS 24 Cb 0.24 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 30.93 2roe h LYS 24 CO 0.00 0.32 0.99 0.28 -1.08 0.00 0.00 179.45 179.96 2roe n VAL 25 N -3.17 0.26 -2.10 0.50 0.31 -1.22 -4.90 118.33 108.01 2roe n VAL 25 Ca 0.02 -0.05 -0.43 0.00 -0.01 0.00 0.00 64.34 63.88 2roe n VAL 25 Cb 0.67 -1.85 -0.03 0.00 -0.91 0.00 0.00 33.84 31.72 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 2.26 3.46 0.00 5.55 0.04 -1.26 -1.97 135.00 143.08 2roe s PRO 26 Ca 0.83 1.34 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2roe s PRO 26 Cb -0.60 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 29.81 2roe s PRO 26 CO 0.40 -1.71 0.00 0.41 0.04 0.00 0.00 177.00 176.15 2roe n GLY 27 N 5.24 0.51 3.84 0.56 0.00 -1.26 -4.70 105.19 109.38 2roe n GLY 27 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.40 5.41 0.03 1.61 1.01 -0.83 -0.77 120.40 125.47 2roe s VAL 28 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2roe s VAL 28 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.01 2roe s VAL 28 CO 0.00 0.59 0.00 -0.62 0.00 0.00 0.00 175.10 175.07 2roe n GLU 29 N 2.24 0.00 -4.27 2.72 -0.58 -1.26 -4.96 120.64 114.53 2roe n GLU 29 Ca -0.19 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.34 2roe n GLU 29 Cb 0.54 -0.42 -0.12 0.00 -0.57 0.00 0.00 31.44 30.87 2roe n GLU 29 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2roe s LYS 30 N -2.00 0.99 0.17 3.49 1.02 -1.26 -4.99 119.74 117.16 2roe s LYS 30 Ca 0.00 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 54.98 2roe s LYS 30 Cb 0.00 -1.11 -0.04 0.00 -0.52 0.00 0.00 37.83 36.16 2roe s LYS 30 CO 0.00 0.26 0.04 0.14 -0.92 0.00 0.00 175.35 174.87 2roe s VAL 31 N -1.14 0.38 -0.32 3.17 -7.23 -1.26 -1.82 120.40 112.18 2roe s VAL 31 Ca 0.02 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.27 2roe s VAL 31 Cb -0.10 -2.17 0.17 0.00 0.56 0.00 0.00 36.38 34.84 2roe s VAL 31 CO 0.03 -0.39 0.44 -0.70 -0.31 0.00 0.00 175.10 174.18 2roe s GLU 32 N -4.00 0.50 0.21 4.82 2.56 0.39 -4.95 118.70 118.23 2roe s GLU 32 Ca 0.27 -0.04 0.08 0.00 0.00 0.00 0.00 54.97 55.28 2roe s GLU 32 Cb 0.07 -0.28 -0.04 0.00 2.00 0.00 0.00 34.13 35.88 2roe s GLU 32 CO 0.05 -1.08 -0.02 0.08 -0.56 0.00 0.00 175.26 173.73 2roe s VAL 33 N 2.32 3.53 -0.07 3.70 1.01 -1.26 -0.59 120.40 129.04 2roe s VAL 33 Ca 0.11 -1.63 -0.05 0.00 0.00 0.00 0.00 61.98 60.42 2roe s VAL 33 Cb -0.12 -2.81 0.03 0.00 0.00 0.00 0.00 36.38 33.48 2roe s VAL 33 CO -0.23 -0.20 0.17 -0.55 0.00 0.00 0.00 175.10 174.29 2roe s SER 34 N -3.17 -0.17 0.01 3.32 0.15 -0.61 -4.99 113.70 108.25 2roe s SER 34 Ca 0.28 0.36 -0.25 0.00 0.70 0.00 0.00 55.95 57.04 2roe s SER 34 Cb -0.08 0.31 -0.18 0.00 -1.71 0.00 0.00 66.02 64.36 2roe s SER 34 CO 0.18 -0.10 1.35 0.25 1.20 0.00 0.00 173.24 176.12 2roe h LEU 35 N 6.47 -0.16 0.20 3.45 5.85 -1.95 -1.69 115.31 127.49 2roe h LEU 35 Ca -0.33 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.13 2roe h LEU 35 Cb 1.18 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 2roe h LEU 35 CO 0.40 0.18 -0.25 -0.08 -0.34 0.00 0.00 178.44 178.35 2roe h GLU 36 N -0.52 -0.45 0.00 1.25 4.57 -1.97 -2.86 114.58 114.60 2roe h GLU 36 Ca -0.02 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2roe h GLU 36 Cb 0.40 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 2roe h GLU 36 CO 0.03 -0.30 0.00 0.87 -1.18 0.00 0.00 179.01 178.43 2roe h LYS 37 N -0.47 0.00 -3.56 1.92 1.57 -2.00 -3.46 116.57 110.57 2roe h LYS 37 Ca -0.02 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.36 2roe h LYS 37 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2roe h LYS 37 CO -0.06 0.00 -0.54 0.41 -0.57 0.00 0.00 179.45 178.69 2roe n GLY 38 N -0.07 -0.51 3.41 3.86 0.00 -0.64 -4.96 105.19 106.28 2roe n GLY 38 Ca 0.01 0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.26 1.48 -0.02 1.61 2.02 -1.22 -0.80 118.70 116.52 2roe s GLU 39 Ca 0.10 -1.58 0.00 0.00 0.02 0.00 0.00 54.97 53.51 2roe s GLU 39 Cb -0.04 -1.60 0.03 0.00 0.10 0.00 0.00 34.13 32.61 2roe s GLU 39 CO 0.12 0.32 0.01 0.00 0.02 0.00 0.00 175.26 175.72 2roe s ALA 40 N -2.19 0.24 0.20 5.21 0.00 -0.07 -1.58 121.76 123.58 2roe s ALA 40 Ca 0.23 0.18 0.09 0.00 0.00 0.00 0.00 51.96 52.46 2roe s ALA 40 Cb -0.06 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 2roe s ALA 40 CO 0.10 -0.07 -0.17 -0.51 0.00 0.00 0.00 175.76 175.12 2roe s LEU 41 N 0.93 2.51 0.01 0.00 1.02 0.24 -0.15 118.68 123.23 2roe s LEU 41 Ca -0.09 -0.96 0.01 0.00 0.02 0.00 0.00 54.13 53.12 2roe s LEU 41 Cb -0.12 -0.80 -0.01 0.00 0.02 0.00 0.00 46.19 45.28 2roe s LEU 41 CO -0.02 -0.09 -0.05 -0.69 0.02 0.00 0.00 176.35 175.52 2roe s VAL 42 N -2.53 0.38 -0.21 -1.59 1.01 -1.17 -0.46 120.40 115.82 2roe s VAL 42 Ca 0.21 -0.43 0.17 0.00 0.00 0.00 0.00 61.98 61.93 2roe s VAL 42 Cb -0.03 -0.37 -0.25 0.00 0.00 0.00 0.00 36.38 35.73 2roe s VAL 42 CO 0.08 -0.05 0.46 1.21 0.00 0.00 0.00 175.10 176.80 2roe n GLU 43 N 2.55 0.75 -0.86 2.72 0.00 -0.75 -2.80 120.64 122.24 2roe n GLU 43 Ca -0.16 -0.12 -0.24 0.00 0.00 0.00 0.00 57.16 56.64 2roe n GLU 43 Cb 0.57 -1.38 0.20 0.00 0.00 0.00 0.00 31.44 30.83 2roe n GLU 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2roe n GLY 44 N 1.49 -2.66 0.55 8.31 0.00 -1.25 -4.75 105.19 106.87 2roe n GLY 44 Ca -0.02 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 44.63 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 -4.36 0.13 -1.56 2.61 5.66 0.05 -4.72 114.28 112.09 2roe n THR 45 Ca 0.12 -0.32 -0.38 0.00 -3.05 0.00 0.00 64.05 60.42 2roe n THR 45 Cb 0.47 0.47 0.05 0.00 -1.55 0.00 0.00 70.33 69.77 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 0.32 -0.37 -1.92 1.79 0.00 -0.92 -4.99 120.51 114.43 2roe n ALA 46 Ca 0.17 -0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.26 2roe n ALA 46 Cb 0.35 -1.99 -0.07 0.00 0.00 0.00 0.00 19.45 17.74 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 -1.24 7.00 0.22 0.00 1.01 -1.26 -4.98 116.67 117.42 2roe s ASP 47 Ca 0.73 1.59 -0.08 0.00 0.71 0.00 0.00 52.55 55.50 2roe s ASP 47 Cb -0.43 -2.49 0.18 0.00 1.01 0.00 0.00 42.92 41.19 2roe s ASP 47 CO 0.50 -0.22 1.85 1.55 0.21 0.00 0.00 175.17 179.06 2roe h PRO 48 N 2.42 1.14 -0.93 8.23 0.13 -1.99 -2.21 132.00 138.79 2roe h PRO 48 Ca -0.48 -0.12 0.04 0.00 -0.87 0.00 0.00 66.00 64.57 2roe h PRO 48 Cb 1.18 -0.23 -0.06 0.00 0.13 0.00 0.00 31.00 32.03 2roe h PRO 48 CO 0.63 0.82 0.60 1.57 -0.23 0.00 0.00 178.00 181.40 2roe h LYS 49 N 1.15 1.13 -0.06 0.86 2.10 -1.99 -0.04 116.57 119.70 2roe h LYS 49 Ca 0.29 -0.07 -0.14 0.00 -2.00 0.00 0.00 60.65 58.74 2roe h LYS 49 Cb -0.00 -0.25 -0.01 0.00 -0.90 0.00 0.00 32.23 31.06 2roe h LYS 49 CO -0.05 0.75 -0.59 0.00 -2.00 0.00 0.00 179.45 177.55 2roe h ALA 50 N 1.39 0.89 0.40 0.07 0.00 -1.83 -2.41 119.26 117.77 2roe h ALA 50 Ca 0.38 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2roe h ALA 50 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2roe h ALA 50 CO -0.13 0.72 -0.19 -0.07 0.00 0.00 0.00 179.25 179.58 2roe h LEU 51 N 0.16 -0.45 -0.76 0.00 3.38 -0.73 -2.42 115.31 114.48 2roe h LEU 51 Ca -0.00 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.89 2roe h LEU 51 Cb 1.08 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 2roe h LEU 51 CO 0.09 -0.06 0.46 1.62 0.09 0.00 0.00 178.44 180.63 2roe h VAL 52 N -0.90 1.03 -0.86 1.22 3.04 -1.11 -2.16 116.25 116.50 2roe h VAL 52 Ca -0.05 -0.29 0.05 0.00 -1.01 0.00 0.00 66.70 65.39 2roe h VAL 52 Cb 0.55 0.10 -0.06 0.00 -2.01 0.00 0.00 31.29 29.87 2roe h VAL 52 CO 0.09 0.16 0.55 -0.61 -1.01 0.00 0.00 177.57 176.74 2roe h GLN 53 N 0.85 1.00 0.00 4.17 5.75 -1.44 -0.33 115.11 125.12 2roe h GLN 53 Ca 0.33 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.77 2roe h GLN 53 Cb 0.14 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.47 2roe h GLN 53 CO -0.16 0.66 0.01 0.00 -2.65 0.00 0.00 178.83 176.69 2roe h ALA 54 N 1.38 1.01 0.05 3.38 0.00 -0.86 0.11 119.26 124.34 2roe h ALA 54 Ca 0.36 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.91 2roe h ALA 54 Cb 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2roe h ALA 54 CO -0.14 -0.01 -2.12 0.28 0.00 0.00 0.00 179.25 177.26 2roe n VAL 55 N -2.91 1.63 0.14 0.00 0.31 -0.22 -3.71 118.33 113.56 2roe n VAL 55 Ca -0.03 -0.69 0.01 0.00 -0.01 0.00 0.00 64.34 63.63 2roe n VAL 55 Cb 0.07 -1.36 0.31 0.00 -0.91 0.00 0.00 33.84 31.95 2roe n VAL 55 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2roe h GLU 56 N 0.03 0.12 0.00 5.55 5.08 -0.34 -1.92 114.58 123.10 2roe h GLU 56 Ca -0.45 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2roe h GLU 56 Cb 2.02 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.27 2roe h GLU 56 CO 0.03 0.46 0.00 0.93 -1.00 0.00 0.00 179.01 179.43 2roe h GLU 57 N 0.10 0.00 -0.01 2.33 4.39 -0.96 -2.33 114.58 118.10 2roe h GLU 57 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2roe h GLU 57 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2roe h GLU 57 CO 0.05 0.00 -0.28 0.39 -1.16 0.00 0.00 179.01 178.01 2roe n GLU 58 N -2.73 1.17 -0.46 2.33 -0.58 -0.76 -4.97 120.64 114.64 2roe n GLU 58 Ca 0.02 -0.82 0.00 0.00 -0.42 0.00 0.00 57.16 55.93 2roe n GLU 58 Cb 0.31 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 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 1.35 0.77 2.73 0.62 0.00 -0.88 -5.07 105.19 104.71 2roe n GLY 59 Ca 0.12 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 2roe n GLY 59 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2roe n TYR 60 N -2.46 -2.61 -4.07 1.61 4.01 -0.93 -5.02 117.16 107.69 2roe n TYR 60 Ca 0.00 -1.43 -0.32 0.00 -0.16 0.00 0.00 57.90 55.99 2roe n TYR 60 Cb 0.00 -0.41 -0.16 0.00 -0.31 0.00 0.00 39.34 38.46 2roe n TYR 60 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 2roe s LYS 61 N -3.92 2.60 0.18 -0.72 1.02 -0.43 -4.23 119.74 114.23 2roe s LYS 61 Ca 0.43 -0.73 0.05 0.00 0.02 0.00 0.00 55.97 55.75 2roe s LYS 61 Cb -0.03 -2.36 -0.05 0.00 -0.52 0.00 0.00 37.83 34.87 2roe s LYS 61 CO 0.28 -0.25 -0.09 0.00 -0.92 0.00 0.00 175.35 174.37 2roe s ALA 62 N 1.38 1.64 -0.23 5.17 0.00 -1.26 -0.40 121.76 128.07 2roe s ALA 62 Ca 0.04 -1.59 -0.20 0.00 0.00 0.00 0.00 51.96 50.22 2roe s ALA 62 Cb -0.13 0.12 0.06 0.00 0.00 0.00 0.00 23.12 23.17 2roe s ALA 62 CO -0.11 -0.10 0.60 -2.00 0.00 0.00 0.00 175.76 174.15 2roe s GLU 63 N -3.75 0.69 0.19 0.00 2.12 -0.56 -4.98 118.70 112.41 2roe s GLU 63 Ca 0.20 0.88 -0.30 0.00 0.36 0.00 0.00 54.97 56.11 2roe s GLU 63 Cb 0.03 0.30 -0.09 0.00 0.26 0.00 0.00 34.13 34.64 2roe s GLU 63 CO 0.04 -0.09 1.32 0.54 -0.54 0.00 0.00 175.26 176.52 2roe s VAL 64 N 0.51 3.22 -0.47 3.70 0.11 -1.26 -0.46 120.40 125.74 2roe s VAL 64 Ca -0.01 0.98 0.04 0.00 -2.93 0.00 0.00 61.98 60.06 2roe s VAL 64 Cb -0.05 -3.63 0.34 0.00 -1.53 0.00 0.00 36.38 31.52 2roe s VAL 64 CO -0.02 0.14 1.20 0.18 -3.33 0.00 0.00 175.10 173.27 2roe n LEU 65 N 2.81 3.75 0.00 2.54 4.77 -0.01 -4.88 117.00 125.99 2roe n LEU 65 Ca 0.07 -1.93 0.00 0.00 -0.03 0.00 0.00 56.01 54.12 2roe n LEU 65 Cb 0.43 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2roe n LEU 65 CO 0.58 0.55 0.13 0.00 -1.33 0.00 0.00 177.39 177.32