#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 3.14 -0.10 -0.89 1.02 -1.07 -4.84 118.68 115.93 2roe s LEU 2 Ca 0.00 2.25 0.03 0.00 0.02 0.00 0.00 54.13 56.44 2roe s LEU 2 Cb 0.00 -4.58 0.00 0.00 0.02 0.00 0.00 46.19 41.64 2roe s LEU 2 CO 0.00 -2.52 -0.21 -0.75 0.02 0.00 0.00 176.35 172.89 2roe s LYS 3 N -4.24 2.81 0.04 1.70 2.20 -1.26 -2.89 119.74 118.09 2roe s LYS 3 Ca 0.71 -0.79 0.05 0.00 -0.36 0.00 0.00 55.97 55.57 2roe s LYS 3 Cb -0.26 -2.18 -0.02 0.00 -1.51 0.00 0.00 37.83 33.86 2roe s LYS 3 CO 0.50 0.10 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.95 2roe s LEU 4 N 0.52 2.17 -0.24 5.43 1.43 0.23 -0.49 118.68 127.73 2roe s LEU 4 Ca -0.15 -0.46 -0.06 0.00 -1.03 0.00 0.00 54.13 52.43 2roe s LEU 4 Cb -0.17 -0.59 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 2roe s LEU 4 CO 0.05 0.02 0.02 -0.75 0.23 0.00 0.00 176.35 175.93 2roe s LYS 5 N -1.15 3.42 0.03 1.70 2.20 0.67 -1.20 119.74 125.41 2roe s LYS 5 Ca 0.01 -0.62 0.03 0.00 -0.36 0.00 0.00 55.97 55.04 2roe s LYS 5 Cb -0.08 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 2roe s LYS 5 CO 0.01 -0.24 -0.02 0.08 -0.36 0.00 0.00 175.35 174.82 2roe s VAL 6 N 1.53 3.96 -0.05 4.02 1.01 -1.22 -1.48 120.40 128.17 2roe s VAL 6 Ca 0.05 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 2roe s VAL 6 Cb -0.15 -2.80 0.04 0.00 0.00 0.00 0.00 36.38 33.47 2roe s VAL 6 CO 0.00 0.29 0.09 -0.70 0.00 0.00 0.00 175.10 174.78 2roe s GLU 7 N -1.79 0.00 0.00 2.72 2.56 -0.07 -4.63 118.70 117.49 2roe s GLU 7 Ca 0.21 0.34 0.00 0.00 0.00 0.00 0.00 54.97 55.52 2roe s GLU 7 Cb -0.11 -0.29 0.00 0.00 2.00 0.00 0.00 34.13 35.73 2roe s GLU 7 CO 0.12 -0.22 0.00 0.41 -0.56 0.00 0.00 175.26 175.01 2roe n GLY 8 N 4.62 1.47 3.65 -1.50 0.00 -1.26 -2.32 105.19 109.85 2roe n GLY 8 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 4.06 0.00 1.61 -1.94 -1.26 -4.84 119.30 116.92 2roe s MET 9 Ca 0.00 2.01 0.00 0.00 -1.71 0.00 0.00 55.69 56.00 2roe s MET 9 Cb 0.00 -3.99 -0.00 0.00 2.01 0.00 0.00 34.83 32.84 2roe s MET 9 CO 0.00 -0.99 0.08 0.25 -0.01 0.00 0.00 175.02 174.36 2roe n THR 10 N 5.77 0.00 -3.99 2.05 -2.24 -1.26 -4.93 114.28 109.68 2roe n THR 10 Ca 0.18 -0.49 -0.08 0.00 -2.27 0.00 0.00 64.05 61.39 2roe n THR 10 Cb 0.44 1.00 -0.09 0.00 -2.10 0.00 0.00 70.33 69.58 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 3.26 0.22 -0.46 0.00 7.08 -1.96 -0.64 115.58 123.08 2roe h ASN 12 Ca -0.34 0.01 -0.00 0.00 -3.08 0.00 0.00 56.30 52.89 2roe h ASN 12 Cb 1.17 -0.04 -0.02 0.00 -2.08 0.00 0.00 38.32 37.35 2roe h ASN 12 CO 0.58 0.12 0.29 0.45 -2.08 0.00 0.00 177.43 176.79 2roe h HIS 13 N 0.24 0.60 -0.06 4.14 3.86 -1.99 -0.81 115.15 121.13 2roe h HIS 13 Ca 0.28 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.48 2roe h HIS 13 Cb 0.79 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 29.06 2roe h HIS 13 CO -0.00 0.40 -0.05 0.00 0.86 0.00 0.00 177.93 179.14 2roe h VAL 15 N -0.27 0.43 0.00 0.00 2.07 -1.28 -1.96 116.25 115.25 2roe h VAL 15 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2roe h VAL 15 Cb 0.52 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2roe h VAL 15 CO 0.01 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.56 2roe h MET 16 N -0.41 0.00 0.24 1.57 -0.00 -1.23 0.08 114.93 115.17 2roe h MET 16 Ca 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.74 2roe h MET 16 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.08 2roe h MET 16 CO -0.20 0.04 -0.11 0.00 -0.00 0.00 0.00 176.91 176.64 2roe h ALA 17 N 1.96 -0.32 -0.52 -3.00 0.00 -1.18 -1.27 119.26 114.93 2roe h ALA 17 Ca -0.00 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.82 2roe h ALA 17 Cb 0.07 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 2roe h ALA 17 CO 0.01 -0.55 0.21 0.28 0.00 0.00 0.00 179.25 179.20 2roe h VAL 18 N -0.58 0.85 0.05 0.00 2.07 -0.75 0.11 116.25 118.00 2roe h VAL 18 Ca -0.03 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.37 2roe h VAL 18 Cb 0.42 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2roe h VAL 18 CO 0.05 0.07 -0.22 0.74 0.02 0.00 0.00 177.57 178.24 2roe h THR 19 N 0.40 0.50 -0.67 2.57 2.02 -0.89 -0.59 112.91 116.24 2roe h THR 19 Ca 0.25 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.36 2roe h THR 19 Cb 0.25 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 2roe h THR 19 CO -0.24 0.00 0.14 0.11 0.37 0.00 0.00 175.52 175.91 2roe h LYS 20 N -0.37 1.08 -0.59 6.66 1.79 -0.59 -2.78 116.57 121.77 2roe h LYS 20 Ca 0.05 -0.27 -0.01 0.00 -2.18 0.00 0.00 60.65 58.23 2roe h LYS 20 Cb 0.43 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.92 2roe h LYS 20 CO -0.17 0.98 0.32 0.00 -1.08 0.00 0.00 179.45 179.50 2roe h ALA 21 N 1.06 0.75 -0.62 3.86 0.00 -0.47 -2.39 119.26 121.45 2roe h ALA 21 Ca 0.21 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2roe h ALA 21 Cb 0.40 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2roe h ALA 21 CO 0.01 0.27 0.39 -0.07 0.00 0.00 0.00 179.25 179.85 2roe h LEU 22 N 0.79 0.66 0.00 0.00 3.38 -1.02 -1.20 115.31 117.92 2roe h LEU 22 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2roe h LEU 22 Cb 0.05 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2roe h LEU 22 CO -0.03 0.47 0.00 0.29 0.09 0.00 0.00 178.44 179.25 2roe n LYS 23 N -4.69 0.02 0.18 1.13 5.02 -0.92 -2.31 118.16 116.58 2roe n LYS 23 Ca 0.05 0.33 0.06 0.00 -2.02 0.00 0.00 58.31 56.74 2roe n LYS 23 Cb 0.06 -1.50 0.26 0.00 -0.02 0.00 0.00 35.03 33.83 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 -6.57 1.97 1.57 -0.95 -3.44 116.57 109.15 2roe h LYS 24 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2roe h LYS 24 Cb 0.14 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.49 2roe h LYS 24 CO 0.00 0.36 0.97 0.08 -0.57 0.00 0.00 179.45 180.28 2roe s VAL 25 N -3.38 2.59 -0.33 0.50 1.01 -0.98 -4.90 120.40 114.91 2roe s VAL 25 Ca 0.02 0.32 -0.28 0.00 0.00 0.00 0.00 61.98 62.03 2roe s VAL 25 Cb 0.09 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 2roe s VAL 25 CO 0.69 0.02 1.99 -2.16 0.00 0.00 0.00 175.10 175.63 2roe s PRO 26 N 1.71 3.11 0.00 2.72 0.04 -1.26 -1.70 135.00 139.62 2roe s PRO 26 Ca 0.73 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2roe s PRO 26 Cb -0.44 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 29.80 2roe s PRO 26 CO 0.32 -2.13 0.00 0.41 0.04 0.00 0.00 177.00 175.64 2roe n GLY 27 N 5.60 0.69 3.42 0.56 0.00 -1.26 -4.54 105.19 109.66 2roe n GLY 27 Ca 0.26 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.32 4.57 -0.07 1.61 1.01 -0.69 -0.60 120.40 124.92 2roe s VAL 28 Ca 0.00 -0.62 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 2roe s VAL 28 Cb 0.00 -4.57 -0.12 0.00 0.00 0.00 0.00 36.38 31.69 2roe s VAL 28 CO 0.00 -1.26 0.62 -0.33 0.00 0.00 0.00 175.10 174.13 2roe h GLU 29 N 9.36 -0.19 -3.86 2.72 4.39 -1.90 -3.46 114.58 121.64 2roe h GLU 29 Ca -0.29 0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.33 2roe h GLU 29 Cb 1.08 0.04 -0.14 0.00 -0.10 0.00 0.00 28.75 29.63 2roe h GLU 29 CO 1.13 0.17 -0.40 0.21 -1.16 0.00 0.00 179.01 178.96 2roe s LYS 30 N -2.82 0.83 0.31 2.33 2.47 -1.25 -5.01 119.74 116.60 2roe s LYS 30 Ca -0.10 -0.99 -0.07 0.00 -1.56 0.00 0.00 55.97 53.25 2roe s LYS 30 Cb -0.00 0.33 0.00 0.00 -1.46 0.00 0.00 37.83 36.70 2roe s LYS 30 CO 0.35 -0.26 0.49 0.14 0.16 0.00 0.00 175.35 176.24 2roe s VAL 31 N -3.87 0.00 -0.11 4.02 -7.23 -1.26 -0.96 120.40 110.98 2roe s VAL 31 Ca 0.06 -1.50 -0.17 0.00 -1.81 0.00 0.00 61.98 58.56 2roe s VAL 31 Cb 0.05 -2.52 0.04 0.00 0.56 0.00 0.00 36.38 34.51 2roe s VAL 31 CO -0.10 0.00 0.43 -0.70 -0.31 0.00 0.00 175.10 174.42 2roe s GLU 32 N -3.33 0.62 -0.10 4.82 2.56 -0.52 -4.97 118.70 117.78 2roe s GLU 32 Ca 0.27 0.36 -0.04 0.00 0.00 0.00 0.00 54.97 55.56 2roe s GLU 32 Cb -0.01 0.29 0.05 0.00 2.00 0.00 0.00 34.13 36.47 2roe s GLU 32 CO 0.16 -0.12 0.22 0.08 -0.56 0.00 0.00 175.26 175.04 2roe s VAL 33 N -0.34 -0.17 0.85 3.70 1.01 -1.26 -0.49 120.40 123.70 2roe s VAL 33 Ca -0.05 0.22 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 2roe s VAL 33 Cb -0.03 -0.37 0.15 0.00 0.00 0.00 0.00 36.38 36.13 2roe s VAL 33 CO 0.03 0.09 1.18 -0.55 0.00 0.00 0.00 175.10 175.84 2roe s SER 34 N 1.70 3.78 -0.00 3.32 0.15 -0.55 -4.98 113.70 117.11 2roe s SER 34 Ca -0.05 0.14 0.02 0.00 0.70 0.00 0.00 55.95 56.76 2roe s SER 34 Cb -0.11 -0.38 -0.03 0.00 -1.71 0.00 0.00 66.02 63.78 2roe s SER 34 CO -0.08 -2.28 0.08 -0.11 1.20 0.00 0.00 173.24 172.05 2roe n LEU 35 N -3.36 0.07 0.00 3.45 7.94 -1.26 -4.74 117.00 119.10 2roe n LEU 35 Ca 0.14 -0.30 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 2roe n LEU 35 Cb 0.60 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.55 2roe n LEU 35 CO 0.46 0.02 -0.36 -1.84 -1.11 0.00 0.00 177.39 174.56 2roe n GLU 36 N -1.27 0.27 0.22 1.96 0.28 -1.26 -4.78 120.64 116.06 2roe n GLU 36 Ca 0.00 0.00 0.16 0.00 -0.16 0.00 0.00 57.16 57.16 2roe n GLU 36 Cb 0.05 -0.86 0.69 0.00 1.43 0.00 0.00 31.44 32.75 2roe n GLU 36 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2roe h LYS 37 N 0.00 0.00 -5.84 3.44 1.57 -2.00 -3.46 116.57 110.28 2roe h LYS 37 Ca 0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.39 2roe h LYS 37 Cb 0.72 0.00 0.14 0.00 0.08 0.00 0.00 32.23 33.16 2roe h LYS 37 CO 0.00 0.00 -0.70 0.41 -0.57 0.00 0.00 179.45 178.59 2roe n GLY 38 N -0.31 -0.51 2.84 3.86 0.00 -1.26 -4.99 105.19 104.82 2roe n GLY 38 Ca 0.00 0.22 -0.15 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 -6.14 0.02 0.05 1.61 2.02 -1.26 -3.38 118.70 111.62 2roe s GLU 39 Ca 0.47 0.29 0.09 0.00 0.02 0.00 0.00 54.97 55.84 2roe s GLU 39 Cb -0.21 -0.23 -0.03 0.00 0.10 0.00 0.00 34.13 33.76 2roe s GLU 39 CO 0.74 -0.18 -0.25 0.00 0.02 0.00 0.00 175.26 175.58 2roe s ALA 40 N 1.22 2.14 0.07 5.21 0.00 -0.34 -1.49 121.76 128.57 2roe s ALA 40 Ca -0.08 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.66 2roe s ALA 40 Cb -0.12 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 2roe s ALA 40 CO -0.04 0.50 -0.06 -0.51 0.00 0.00 0.00 175.76 175.64 2roe s LEU 41 N -1.30 2.41 0.01 0.00 1.02 0.36 -0.60 118.68 120.58 2roe s LEU 41 Ca 0.11 -0.83 0.05 0.00 0.02 0.00 0.00 54.13 53.48 2roe s LEU 41 Cb -0.10 -0.06 -0.02 0.00 0.02 0.00 0.00 46.19 46.03 2roe s LEU 41 CO 0.02 -0.39 -0.16 -0.69 0.02 0.00 0.00 176.35 175.16 2roe s VAL 42 N -2.81 1.26 -0.31 -1.59 1.01 -1.14 -1.43 120.40 115.38 2roe s VAL 42 Ca 0.03 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.28 2roe s VAL 42 Cb -0.00 -1.08 0.46 0.00 0.00 0.00 0.00 36.38 35.76 2roe s VAL 42 CO -0.03 0.23 1.15 1.21 0.00 0.00 0.00 175.10 177.66 2roe n GLU 43 N 2.36 3.08 -1.45 2.72 2.13 -0.14 -2.60 120.64 126.74 2roe n GLU 43 Ca -0.16 -4.05 0.00 0.00 0.66 0.00 0.00 57.16 53.61 2roe n GLU 43 Cb 0.54 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.17 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 -0.61 4.81 0.85 8.31 0.00 -1.26 -3.89 105.19 113.40 2roe n GLY 44 Ca 0.34 -1.89 0.09 0.00 0.00 0.00 0.00 46.02 44.56 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 0.00 0.34 -0.47 2.61 5.66 0.23 -4.94 114.28 117.70 2roe n THR 45 Ca 0.00 -0.67 -0.28 0.00 -3.05 0.00 0.00 64.05 60.05 2roe n THR 45 Cb 0.00 1.09 0.26 0.00 -1.55 0.00 0.00 70.33 70.13 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 1.09 -2.94 -2.60 1.79 0.00 -1.16 -4.94 120.51 111.74 2roe n ALA 46 Ca 0.14 -1.19 -0.32 0.00 0.00 0.00 0.00 53.44 52.06 2roe n ALA 46 Cb 0.49 -2.00 -0.05 0.00 0.00 0.00 0.00 19.45 17.89 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 -2.40 6.55 0.41 0.00 1.11 -1.26 -5.00 116.67 116.07 2roe s ASP 47 Ca 0.69 0.70 0.09 0.00 0.18 0.00 0.00 52.55 54.21 2roe s ASP 47 Cb -0.26 -2.14 0.88 0.00 1.07 0.00 0.00 42.92 42.48 2roe s ASP 47 CO 0.65 0.06 2.01 1.55 1.18 0.00 0.00 175.17 180.62 2roe h PRO 48 N 3.00 0.54 0.14 8.23 0.13 -2.00 -2.71 132.00 139.33 2roe h PRO 48 Ca -0.47 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2roe h PRO 48 Cb 1.17 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2roe h PRO 48 CO 0.70 0.36 -0.07 0.87 -0.23 0.00 0.00 178.00 179.64 2roe h LYS 49 N 0.56 -0.18 -0.61 0.86 6.56 -2.00 -2.73 116.57 119.03 2roe h LYS 49 Ca 0.23 0.01 0.09 0.00 -1.06 0.00 0.00 60.65 59.93 2roe h LYS 49 Cb 0.21 0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 31.88 2roe h LYS 49 CO -0.06 0.24 0.41 0.00 -2.06 0.00 0.00 179.45 177.97 2roe h ALA 50 N 0.06 1.96 0.58 3.86 0.00 -1.91 -1.07 119.26 122.74 2roe h ALA 50 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2roe h ALA 50 Cb 0.50 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.20 2roe h ALA 50 CO 0.03 -0.09 -0.28 -0.07 0.00 0.00 0.00 179.25 178.84 2roe h LEU 51 N 0.46 -0.66 -0.62 0.00 3.38 -1.50 -2.45 115.31 113.92 2roe h LEU 51 Ca 0.28 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.35 2roe h LEU 51 Cb 0.49 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 2roe h LEU 51 CO -0.08 -0.29 0.30 1.62 0.09 0.00 0.00 178.44 180.08 2roe h VAL 52 N -1.15 0.88 -1.00 1.22 3.04 -1.28 -2.00 116.25 115.96 2roe h VAL 52 Ca -0.08 -0.19 0.06 0.00 -1.01 0.00 0.00 66.70 65.48 2roe h VAL 52 Cb 0.60 0.29 -0.06 0.00 -2.01 0.00 0.00 31.29 30.10 2roe h VAL 52 CO 0.13 0.10 0.65 -0.61 -1.01 0.00 0.00 177.57 176.83 2roe h GLN 53 N 0.54 1.16 0.00 4.17 5.75 -1.26 -0.68 115.11 124.79 2roe h GLN 53 Ca 0.30 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.68 2roe h GLN 53 Cb 0.27 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 2roe h GLN 53 CO -0.23 0.77 -0.23 0.00 -2.65 0.00 0.00 178.83 176.48 2roe h ALA 54 N 1.45 1.43 0.17 3.38 0.00 -0.86 -2.02 119.26 122.82 2roe h ALA 54 Ca 0.42 -0.21 -0.31 0.00 0.00 0.00 0.00 54.91 54.81 2roe h ALA 54 Cb 0.13 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2roe h ALA 54 CO -0.16 0.29 -1.43 0.28 0.00 0.00 0.00 179.25 178.24 2roe h VAL 55 N 0.00 1.31 -0.25 0.00 2.07 -1.00 -3.21 116.25 115.17 2roe h VAL 55 Ca -0.00 -2.85 -0.05 0.00 0.82 0.00 0.00 66.70 64.62 2roe h VAL 55 Cb 0.47 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.15 2roe h VAL 55 CO 0.03 0.85 -0.06 -0.33 0.02 0.00 0.00 177.57 178.08 2roe h GLU 56 N 0.10 0.39 0.00 1.57 5.08 -1.14 -1.48 114.58 119.10 2roe h GLU 56 Ca -0.21 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2roe h GLU 56 Cb 2.06 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.25 2roe h GLU 56 CO 0.22 0.46 0.00 0.39 -1.00 0.00 0.00 179.01 179.08 2roe n GLU 57 N -4.28 0.10 0.00 2.33 -0.58 -0.77 -1.74 120.64 115.69 2roe n GLU 57 Ca 0.00 0.35 0.12 0.00 -0.42 0.00 0.00 57.16 57.22 2roe n GLU 57 Cb 0.25 -1.70 0.24 0.00 -0.57 0.00 0.00 31.44 29.66 2roe n GLU 57 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2roe n GLU 58 N -1.89 0.04 -0.01 3.49 -0.58 -0.56 -4.94 120.64 116.18 2roe n GLU 58 Ca 0.03 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2roe n GLU 58 Cb 0.19 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 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 1.49 1.09 3.61 0.62 0.00 -0.71 -5.07 105.19 106.22 2roe n GLY 59 Ca 0.06 -0.01 -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 -1.72 0.00 0.00 0.00 173.32 171.60 2roe n TYR 60 N -1.91 0.28 -4.90 1.61 4.01 -1.19 -5.06 117.16 110.00 2roe n TYR 60 Ca 0.00 -2.35 -0.32 0.00 -0.16 0.00 0.00 57.90 55.07 2roe n TYR 60 Cb 0.00 -0.38 -0.16 0.00 -0.31 0.00 0.00 39.34 38.49 2roe n TYR 60 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2roe s LYS 61 N -3.98 3.11 0.09 -0.72 2.20 -0.98 -4.18 119.74 115.28 2roe s LYS 61 Ca 0.15 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 54.95 2roe s LYS 61 Cb -0.01 -2.43 -0.04 0.00 -1.51 0.00 0.00 37.83 33.84 2roe s LYS 61 CO 0.09 0.10 -0.07 0.00 -0.36 0.00 0.00 175.35 175.11 2roe s ALA 62 N 0.55 0.95 -0.21 3.13 0.00 -1.26 -0.90 121.76 124.03 2roe s ALA 62 Ca -0.12 -1.25 -0.16 0.00 0.00 0.00 0.00 51.96 50.43 2roe s ALA 62 Cb -0.17 0.12 0.06 0.00 0.00 0.00 0.00 23.12 23.14 2roe s ALA 62 CO 0.04 -0.17 0.53 -2.00 0.00 0.00 0.00 175.76 174.16 2roe s GLU 63 N -3.36 0.58 0.41 0.00 2.12 -0.55 -4.99 118.70 112.91 2roe s GLU 63 Ca 0.08 0.86 -0.23 0.00 0.36 0.00 0.00 54.97 56.04 2roe s GLU 63 Cb 0.02 0.18 -0.10 0.00 0.26 0.00 0.00 34.13 34.49 2roe s GLU 63 CO -0.03 -0.11 0.99 0.54 -0.54 0.00 0.00 175.26 176.10 2roe s VAL 64 N 0.87 4.08 -0.11 3.70 0.11 -1.26 -0.24 120.40 127.56 2roe s VAL 64 Ca -0.05 1.46 0.15 0.00 -2.93 0.00 0.00 61.98 60.61 2roe s VAL 64 Cb -0.05 -3.68 0.24 0.00 -1.53 0.00 0.00 36.38 31.35 2roe s VAL 64 CO -0.07 -0.13 1.12 0.18 -3.33 0.00 0.00 175.10 172.88 2roe n LEU 65 N -0.30 1.92 -0.44 2.54 4.77 0.36 -4.87 117.00 120.98 2roe n LEU 65 Ca 0.06 -2.71 0.14 0.00 -0.03 0.00 0.00 56.01 53.47 2roe n LEU 65 Cb 0.52 -0.35 0.56 0.00 -2.33 0.00 0.00 43.42 41.82 2roe n LEU 65 CO 0.41 0.64 0.89 0.00 -1.33 0.00 0.00 177.39 178.00