#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 2.32 -0.27 -0.89 1.43 -0.79 -4.96 118.68 115.52 2roe s LEU 2 Ca 0.00 -0.73 -0.03 0.00 -1.03 0.00 0.00 54.13 52.35 2roe s LEU 2 Cb 0.00 -0.98 0.03 0.00 0.03 0.00 0.00 46.19 45.27 2roe s LEU 2 CO 0.00 0.08 -0.01 -0.54 0.23 0.00 0.00 176.35 176.11 2roe s LYS 3 N -2.06 2.76 -0.18 1.70 3.01 -1.26 -1.82 119.74 121.88 2roe s LYS 3 Ca 0.10 -1.04 -0.02 0.00 -1.01 0.00 0.00 55.97 53.99 2roe s LYS 3 Cb -0.10 -3.12 -0.01 0.00 -1.01 0.00 0.00 37.83 33.59 2roe s LYS 3 CO 0.05 -0.48 -0.08 -0.51 0.51 0.00 0.00 175.35 174.84 2roe s LEU 4 N 1.34 2.83 -0.22 3.17 1.43 -0.39 -1.82 118.68 125.02 2roe s LEU 4 Ca -0.01 -0.36 -0.20 0.00 -1.03 0.00 0.00 54.13 52.53 2roe s LEU 4 Cb -0.18 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 2roe s LEU 4 CO -0.02 0.06 0.60 -0.75 0.23 0.00 0.00 176.35 176.47 2roe s LYS 5 N 0.99 4.16 0.14 1.70 2.20 -0.23 -0.80 119.74 127.91 2roe s LYS 5 Ca -0.01 0.53 0.10 0.00 -0.36 0.00 0.00 55.97 56.23 2roe s LYS 5 Cb -0.15 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.53 2roe s LYS 5 CO -0.00 -0.29 -0.18 0.08 -0.36 0.00 0.00 175.35 174.59 2roe s VAL 6 N 2.09 2.78 0.02 4.02 1.01 -0.12 -1.34 120.40 128.86 2roe s VAL 6 Ca 0.26 -1.65 0.02 0.00 0.00 0.00 0.00 61.98 60.62 2roe s VAL 6 Cb -0.16 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 2roe s VAL 6 CO 0.09 0.02 -0.08 -1.61 0.00 0.00 0.00 175.10 173.52 2roe s GLU 7 N -2.37 0.57 0.00 2.72 0.41 -0.05 -4.66 118.70 115.32 2roe s GLU 7 Ca 0.19 -0.51 0.00 0.00 -0.41 0.00 0.00 54.97 54.24 2roe s GLU 7 Cb -0.10 -0.47 0.00 0.00 -1.78 0.00 0.00 34.13 31.78 2roe s GLU 7 CO 0.11 0.11 0.00 0.41 -0.49 0.00 0.00 175.26 175.40 2roe n GLY 8 N 2.19 1.21 3.28 -1.39 0.00 -1.26 -2.35 105.19 106.86 2roe n GLY 8 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 2roe n GLY 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2roe n MET 9 N -1.50 2.23 0.09 1.61 2.81 -1.26 -4.67 117.12 116.42 2roe n MET 9 Ca 0.00 -2.53 -0.14 0.00 -1.81 0.00 0.00 57.70 53.22 2roe n MET 9 Cb 0.00 -3.37 -0.14 0.00 -0.71 0.00 0.00 33.22 29.01 2roe n MET 9 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 2roe h THR 10 N 5.12 1.50 -2.13 2.03 1.35 -1.95 -3.46 112.91 115.37 2roe h THR 10 Ca 0.40 -3.12 -0.60 0.00 -0.55 0.00 0.00 66.41 62.55 2roe h THR 10 Cb 0.79 2.90 -0.13 0.00 -1.73 0.00 0.00 68.15 69.98 2roe h THR 10 CO 1.62 0.90 -0.71 0.00 -0.25 0.00 0.00 175.52 177.08 2roe h ASN 12 N 2.09 0.00 -0.01 0.00 4.21 -2.00 -0.44 115.58 119.44 2roe h ASN 12 Ca -0.41 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.04 2roe h ASN 12 Cb 1.26 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.44 2roe h ASN 12 CO 0.63 0.10 -0.13 0.45 -1.29 0.00 0.00 177.43 177.19 2roe h HIS 13 N 0.00 0.30 -0.00 1.19 3.86 -1.99 -1.36 115.15 117.15 2roe h HIS 13 Ca -0.00 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2roe h HIS 13 Cb 0.30 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.68 2roe h HIS 13 CO 0.00 0.42 -0.02 0.00 0.86 0.00 0.00 177.93 179.19 2roe h VAL 15 N -0.62 0.62 -0.51 0.00 2.07 -1.28 0.18 116.25 116.70 2roe h VAL 15 Ca -0.00 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 2roe h VAL 15 Cb 0.66 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2roe h VAL 15 CO 0.00 0.02 0.12 0.00 0.02 0.00 0.00 177.57 177.72 2roe h MET 16 N 0.09 0.79 0.05 1.57 -0.00 -1.34 0.50 114.93 116.59 2roe h MET 16 Ca 0.23 -0.16 -0.00 0.00 -0.00 0.00 0.00 59.70 59.77 2roe h MET 16 Cb 0.34 -0.12 0.00 0.00 -0.00 0.00 0.00 31.60 31.83 2roe h MET 16 CO -0.41 0.72 -0.03 0.00 -0.00 0.00 0.00 176.91 177.20 2roe h ALA 17 N 1.37 -0.07 -0.98 -3.00 0.00 -1.13 -1.36 119.26 114.08 2roe h ALA 17 Ca 0.17 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2roe h ALA 17 Cb 0.29 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 2roe h ALA 17 CO -0.00 -0.36 0.64 0.28 0.00 0.00 0.00 179.25 179.80 2roe h VAL 18 N -0.43 1.06 0.92 0.00 2.07 -0.82 0.24 116.25 119.29 2roe h VAL 18 Ca -0.01 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 2roe h VAL 18 Cb 0.38 -0.16 0.01 0.00 -1.52 0.00 0.00 31.29 30.00 2roe h VAL 18 CO 0.01 0.20 -0.44 0.74 0.02 0.00 0.00 177.57 178.11 2roe h THR 19 N 1.12 0.08 -0.55 2.57 2.02 -0.75 -0.04 112.91 117.37 2roe h THR 19 Ca 0.43 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.57 2roe h THR 19 Cb 0.22 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.68 2roe h THR 19 CO -0.18 0.00 0.29 0.11 0.37 0.00 0.00 175.52 176.12 2roe h LYS 20 N -1.26 0.75 -0.48 6.66 1.57 -0.66 -2.12 116.57 121.03 2roe h LYS 20 Ca -0.13 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 2roe h LYS 20 Cb 0.95 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 2roe h LYS 20 CO 0.21 0.56 0.18 0.00 -0.57 0.00 0.00 179.45 179.83 2roe h ALA 21 N 1.57 0.62 -0.25 3.86 0.00 -0.38 -2.10 119.26 122.58 2roe h ALA 21 Ca 0.19 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2roe h ALA 21 Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2roe h ALA 21 CO -0.03 0.25 -0.12 -0.07 0.00 0.00 0.00 179.25 179.27 2roe h LEU 22 N 0.64 0.39 0.00 0.00 3.38 -0.57 -1.60 115.31 117.54 2roe h LEU 22 Ca 0.16 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2roe h LEU 22 Cb 0.22 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2roe h LEU 22 CO -0.01 0.55 0.00 0.29 0.09 0.00 0.00 178.44 179.36 2roe n LYS 23 N -4.23 0.71 0.03 1.13 5.02 -0.81 -2.65 118.16 117.37 2roe n LYS 23 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 2roe n LYS 23 Cb 0.30 -1.17 0.15 0.00 -0.02 0.00 0.00 35.03 34.29 2roe n LYS 23 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2roe n LYS 24 N -0.67 0.18 -2.45 1.97 5.02 -0.60 -4.93 118.16 116.68 2roe n LYS 24 Ca 0.06 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.96 2roe n LYS 24 Cb 0.03 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.41 2roe n LYS 24 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2roe s VAL 25 N -3.11 3.96 -0.36 -0.18 1.01 -1.08 -4.98 120.40 115.65 2roe s VAL 25 Ca 0.07 1.50 -0.28 0.00 0.00 0.00 0.00 61.98 63.27 2roe s VAL 25 Cb 0.15 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 2roe s VAL 25 CO 0.74 0.17 1.78 -2.16 0.00 0.00 0.00 175.10 175.63 2roe s PRO 26 N 0.53 3.30 0.00 2.72 0.04 -1.26 -2.69 135.00 137.64 2roe s PRO 26 Ca 0.55 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2roe s PRO 26 Cb -0.30 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.04 2roe s PRO 26 CO 0.32 -1.90 0.00 0.41 0.04 0.00 0.00 177.00 175.86 2roe n GLY 27 N 5.42 1.00 3.73 0.56 0.00 -1.26 -4.64 105.19 110.00 2roe n GLY 27 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.38 4.40 -0.15 1.61 0.11 -1.09 -1.67 120.40 122.23 2roe s VAL 28 Ca 0.00 2.06 -0.13 0.00 -2.93 0.00 0.00 61.98 60.98 2roe s VAL 28 Cb 0.00 -4.32 -0.04 0.00 -1.53 0.00 0.00 36.38 30.49 2roe s VAL 28 CO 0.00 0.37 -0.26 -0.62 -3.33 0.00 0.00 175.10 171.25 2roe n GLU 29 N 2.46 0.44 -4.02 1.54 1.02 -1.26 -4.90 120.64 115.92 2roe n GLU 29 Ca 0.01 0.27 -0.10 0.00 -0.02 0.00 0.00 57.16 57.32 2roe n GLU 29 Cb 0.49 -1.37 -0.08 0.00 -0.02 0.00 0.00 31.44 30.45 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 -2.49 1.13 -0.05 3.49 2.20 -1.26 -4.94 119.74 117.82 2roe s LYS 30 Ca -0.22 -1.26 -0.08 0.00 -0.36 0.00 0.00 55.97 54.05 2roe s LYS 30 Cb 0.03 0.35 0.02 0.00 -1.51 0.00 0.00 37.83 36.71 2roe s LYS 30 CO 0.32 -0.40 0.20 0.08 -0.36 0.00 0.00 175.35 175.19 2roe s VAL 31 N -4.00 0.03 -0.32 4.02 1.01 -1.26 -0.86 120.40 119.02 2roe s VAL 31 Ca 0.20 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.98 2roe s VAL 31 Cb 0.04 -0.36 0.10 0.00 0.00 0.00 0.00 36.38 36.16 2roe s VAL 31 CO 0.02 -0.12 0.06 -0.70 0.00 0.00 0.00 175.10 174.35 2roe s GLU 32 N -0.39 1.21 -0.14 2.72 2.12 -0.02 -4.94 118.70 119.25 2roe s GLU 32 Ca -0.05 -1.48 -0.07 0.00 0.36 0.00 0.00 54.97 53.72 2roe s GLU 32 Cb -0.03 -2.69 -0.04 0.00 0.26 0.00 0.00 34.13 31.63 2roe s GLU 32 CO 0.01 -0.92 0.13 0.08 -0.54 0.00 0.00 175.26 174.01 2roe s VAL 33 N 1.22 5.38 -0.08 3.70 1.01 -1.26 -0.73 120.40 129.63 2roe s VAL 33 Ca 0.09 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.28 2roe s VAL 33 Cb -0.18 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 2roe s VAL 33 CO -0.14 0.56 -0.24 -0.44 0.00 0.00 0.00 175.10 174.84 2roe s SER 34 N -0.59 3.14 0.01 3.32 0.01 -0.34 -5.00 113.70 114.24 2roe s SER 34 Ca 0.12 -0.52 -0.05 0.00 1.31 0.00 0.00 55.95 56.82 2roe s SER 34 Cb -0.12 -1.15 -0.03 0.00 0.21 0.00 0.00 66.02 64.94 2roe s SER 34 CO 0.02 0.20 1.06 0.25 0.41 0.00 0.00 173.24 175.19 2roe h LEU 35 N 6.39 -0.15 -0.24 2.44 5.85 -1.91 -1.92 115.31 125.77 2roe h LEU 35 Ca -0.26 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.53 2roe h LEU 35 Cb 1.21 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.20 2roe h LEU 35 CO 0.47 -0.10 -0.25 -0.08 -0.34 0.00 0.00 178.44 178.14 2roe h GLU 36 N -0.18 -0.25 0.00 1.25 4.81 -1.97 -1.97 114.58 116.28 2roe h GLU 36 Ca -0.02 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2roe h GLU 36 Cb 0.13 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 2roe h GLU 36 CO 0.03 -0.17 -0.08 0.87 -0.73 0.00 0.00 179.01 178.93 2roe h LYS 37 N -0.26 0.00 -5.83 1.92 6.56 -2.00 -3.46 116.57 113.49 2roe h LYS 37 Ca 0.14 0.00 -0.42 0.00 -1.06 0.00 0.00 60.65 59.31 2roe h LYS 37 Cb 0.47 0.00 0.09 0.00 -0.57 0.00 0.00 32.23 32.23 2roe h LYS 37 CO -0.40 0.08 -0.69 0.41 -2.06 0.00 0.00 179.45 176.79 2roe n GLY 38 N -0.22 -0.54 3.22 3.86 0.00 -0.72 -4.93 105.19 105.85 2roe n GLY 38 Ca -0.00 0.23 -0.14 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 -6.33 0.97 -0.05 1.61 0.41 -1.21 -0.94 118.70 113.16 2roe s GLU 39 Ca 0.58 -1.32 0.02 0.00 -0.41 0.00 0.00 54.97 53.83 2roe s GLU 39 Cb -0.27 -0.60 0.02 0.00 -1.78 0.00 0.00 34.13 31.50 2roe s GLU 39 CO 0.72 0.08 -0.08 0.00 -0.49 0.00 0.00 175.26 175.49 2roe s ALA 40 N -2.91 0.95 -0.39 5.21 0.00 0.02 -1.20 121.76 123.44 2roe s ALA 40 Ca 0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 51.96 51.82 2roe s ALA 40 Cb 0.00 -0.50 0.10 0.00 0.00 0.00 0.00 23.12 22.72 2roe s ALA 40 CO 0.00 0.03 0.16 -0.51 0.00 0.00 0.00 175.76 175.45 2roe s LEU 41 N 0.82 4.97 -0.11 0.00 2.01 0.09 -1.26 118.68 125.20 2roe s LEU 41 Ca -0.12 -1.85 -0.27 0.00 0.01 0.00 0.00 54.13 51.89 2roe s LEU 41 Cb -0.15 -1.81 -0.02 0.00 0.01 0.00 0.00 46.19 44.22 2roe s LEU 41 CO 0.02 -0.48 0.91 -0.69 1.01 0.00 0.00 176.35 177.11 2roe s VAL 42 N 1.17 4.86 -0.98 -1.59 1.01 -0.76 -0.84 120.40 123.27 2roe s VAL 42 Ca 0.05 1.84 0.22 0.00 0.00 0.00 0.00 61.98 64.10 2roe s VAL 42 Cb -0.22 -4.22 -0.14 0.00 0.00 0.00 0.00 36.38 31.79 2roe s VAL 42 CO -0.03 0.06 1.08 1.21 0.00 0.00 0.00 175.10 177.42 2roe n GLU 43 N 4.77 0.02 -1.33 2.72 2.13 -0.04 -1.88 120.64 127.02 2roe n GLU 43 Ca 0.06 -0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.80 2roe n GLU 43 Cb 0.49 -1.50 0.04 0.00 0.27 0.00 0.00 31.44 30.74 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 1.49 0.96 1.59 8.31 0.00 -1.24 -4.73 105.19 111.58 2roe n GLY 44 Ca 0.04 -2.02 0.10 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.78 1.75 -1.47 2.61 -2.24 -0.67 -4.51 114.28 107.97 2roe n THR 45 Ca 0.05 -1.16 -0.37 0.00 -2.27 0.00 0.00 64.05 60.30 2roe n THR 45 Cb 0.19 0.16 0.05 0.00 -2.10 0.00 0.00 70.33 68.64 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 1.22 -0.75 -1.76 6.98 0.00 -1.16 -4.90 120.51 120.15 2roe n ALA 46 Ca 0.26 -0.07 -0.40 0.00 0.00 0.00 0.00 53.44 53.24 2roe n ALA 46 Cb 0.87 -1.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.29 7.52 0.23 0.00 1.11 -1.26 -4.97 116.67 118.00 2roe s ASP 47 Ca 0.71 2.00 -0.08 0.00 0.18 0.00 0.00 52.55 55.36 2roe s ASP 47 Cb -0.41 -2.61 0.23 0.00 1.07 0.00 0.00 42.92 41.20 2roe s ASP 47 CO 0.52 0.06 1.88 1.55 1.18 0.00 0.00 175.17 180.36 2roe h PRO 48 N 3.93 1.01 -0.70 8.23 0.13 -1.99 -1.71 132.00 140.90 2roe h PRO 48 Ca -0.46 -0.06 0.06 0.00 -0.87 0.00 0.00 66.00 64.67 2roe h PRO 48 Cb 1.20 -0.23 -0.04 0.00 0.13 0.00 0.00 31.00 32.06 2roe h PRO 48 CO 0.67 0.67 0.46 1.57 -0.23 0.00 0.00 178.00 181.14 2roe h LYS 49 N 1.04 0.71 0.01 0.86 2.10 -2.00 -1.22 116.57 118.07 2roe h LYS 49 Ca 0.32 -0.04 -0.26 0.00 -2.00 0.00 0.00 60.65 58.67 2roe h LYS 49 Cb -0.02 -0.16 -0.04 0.00 -0.90 0.00 0.00 32.23 31.11 2roe h LYS 49 CO -0.10 0.47 -1.43 0.00 -2.00 0.00 0.00 179.45 176.38 2roe h ALA 50 N 1.62 0.56 0.31 0.07 0.00 -1.83 -3.20 119.26 116.79 2roe h ALA 50 Ca 0.30 -1.22 -0.02 0.00 0.00 0.00 0.00 54.91 53.97 2roe h ALA 50 Cb 0.25 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2roe h ALA 50 CO -0.10 1.41 -0.15 -0.07 0.00 0.00 0.00 179.25 180.35 2roe h LEU 51 N 0.01 -0.36 -0.70 0.00 3.38 -0.82 -1.24 115.31 115.58 2roe h LEU 51 Ca -0.18 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.65 2roe h LEU 51 Cb 1.92 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 42.72 2roe h LEU 51 CO 0.11 0.04 0.42 1.62 0.09 0.00 0.00 178.44 180.72 2roe h VAL 52 N -0.81 1.05 0.01 1.22 3.04 -1.41 -2.70 116.25 116.64 2roe h VAL 52 Ca -0.04 -0.28 0.02 0.00 -1.01 0.00 0.00 66.70 65.40 2roe h VAL 52 Cb 0.52 0.17 -0.03 0.00 -2.01 0.00 0.00 31.29 29.93 2roe h VAL 52 CO 0.07 0.15 -0.17 -0.61 -1.01 0.00 0.00 177.57 176.00 2roe h GLN 53 N 0.80 -0.27 -0.28 4.17 4.15 -1.54 -1.96 115.11 120.17 2roe h GLN 53 Ca 0.29 0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.82 2roe h GLN 53 Cb 0.09 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 2roe h GLN 53 CO -0.14 -0.18 0.30 0.00 -1.93 0.00 0.00 178.83 176.88 2roe h ALA 54 N 0.63 1.96 0.19 3.38 0.00 -0.88 -0.52 119.26 124.02 2roe h ALA 54 Ca 0.05 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.63 2roe h ALA 54 Cb 0.35 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.18 2roe h ALA 54 CO -0.16 -0.44 -1.57 0.28 0.00 0.00 0.00 179.25 177.36 2roe h VAL 55 N 0.00 1.08 -0.56 0.00 2.07 -1.31 -3.32 116.25 114.21 2roe h VAL 55 Ca 0.13 -2.54 -0.05 0.00 0.82 0.00 0.00 66.70 65.06 2roe h VAL 55 Cb 0.73 2.86 -0.03 0.00 -1.52 0.00 0.00 31.29 33.34 2roe h VAL 55 CO -0.00 0.81 0.14 -0.33 0.02 0.00 0.00 177.57 178.22 2roe h GLU 56 N 0.02 0.85 0.00 1.57 5.08 -0.60 -2.01 114.58 119.49 2roe h GLU 56 Ca -0.30 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2roe h GLU 56 Cb 2.04 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.16 2roe h GLU 56 CO 0.18 0.76 0.00 0.93 -1.00 0.00 0.00 179.01 179.88 2roe h GLU 57 N 0.82 0.00 -0.00 2.33 5.08 -1.26 -0.73 114.58 120.82 2roe h GLU 57 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2roe h GLU 57 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2roe h GLU 57 CO -0.00 0.00 -0.17 0.39 -1.00 0.00 0.00 179.01 178.23 2roe n GLU 58 N -3.06 0.69 -0.21 2.33 -0.58 -0.76 -4.91 120.64 114.14 2roe n GLU 58 Ca -0.02 -0.30 0.00 0.00 -0.42 0.00 0.00 57.16 56.42 2roe n GLU 58 Cb 0.13 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 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 1.32 0.89 3.07 0.62 0.00 -0.28 -5.09 105.19 105.71 2roe n GLY 59 Ca 0.13 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.21 -1.47 -4.82 1.61 4.02 -1.18 -5.04 117.16 108.07 2roe n TYR 60 Ca 0.00 -1.79 -0.25 0.00 -0.01 0.00 0.00 57.90 55.85 2roe n TYR 60 Cb 0.00 -0.39 -0.16 0.00 -0.02 0.00 0.00 39.34 38.77 2roe n TYR 60 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 2roe s LYS 61 N -3.93 1.57 0.10 -0.72 1.02 -0.99 -4.14 119.74 112.66 2roe s LYS 61 Ca 0.35 -0.60 -0.05 0.00 0.02 0.00 0.00 55.97 55.69 2roe s LYS 61 Cb -0.03 -1.44 -0.02 0.00 -0.52 0.00 0.00 37.83 35.82 2roe s LYS 61 CO 0.22 0.30 0.12 0.00 -0.92 0.00 0.00 175.35 175.07 2roe s ALA 62 N -0.17 0.28 -0.22 5.17 0.00 -1.26 -0.87 121.76 124.69 2roe s ALA 62 Ca 0.01 -1.04 -0.20 0.00 0.00 0.00 0.00 51.96 50.73 2roe s ALA 62 Cb -0.09 0.60 0.06 0.00 0.00 0.00 0.00 23.12 23.69 2roe s ALA 62 CO 0.01 -0.50 0.59 -1.83 0.00 0.00 0.00 175.76 174.03 2roe s GLU 63 N -3.94 0.68 -0.25 0.00 -1.05 -0.45 -4.99 118.70 108.69 2roe s GLU 63 Ca 0.13 0.85 -0.27 0.00 -0.15 0.00 0.00 54.97 55.53 2roe s GLU 63 Cb 0.06 0.31 0.01 0.00 -0.44 0.00 0.00 34.13 34.06 2roe s GLU 63 CO -0.05 -0.09 0.96 0.08 0.95 0.00 0.00 175.26 177.10 2roe s VAL 64 N 0.47 4.72 -0.65 1.83 1.01 -1.26 -1.06 120.40 125.45 2roe s VAL 64 Ca -0.01 1.79 0.01 0.00 0.00 0.00 0.00 61.98 63.77 2roe s VAL 64 Cb -0.04 -4.25 0.04 0.00 0.00 0.00 0.00 36.38 32.13 2roe s VAL 64 CO -0.01 -0.18 0.73 0.18 0.00 0.00 0.00 175.10 175.81 2roe n LEU 65 N 6.27 1.90 0.00 3.92 4.77 -0.76 -4.98 117.00 128.12 2roe n LEU 65 Ca 0.09 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 2roe n LEU 65 Cb 0.47 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2roe n LEU 65 CO 0.51 0.36 0.23 0.00 -1.33 0.00 0.00 177.39 177.16