#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 4.04 0.11 -0.89 1.43 -0.80 -4.88 118.68 117.69 2roe s LEU 2 Ca 0.00 1.84 0.05 0.00 -1.03 0.00 0.00 54.13 54.99 2roe s LEU 2 Cb 0.00 -4.37 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 2roe s LEU 2 CO 0.00 -0.42 0.05 -0.54 0.23 0.00 0.00 176.35 175.67 2roe s LYS 3 N -2.83 2.68 -0.07 1.70 3.01 -1.26 -1.61 119.74 121.36 2roe s LYS 3 Ca 0.60 -0.84 -0.11 0.00 -1.01 0.00 0.00 55.97 54.61 2roe s LYS 3 Cb -0.15 -2.58 0.02 0.00 -1.01 0.00 0.00 37.83 34.11 2roe s LYS 3 CO 0.20 0.52 0.27 -0.51 0.51 0.00 0.00 175.35 176.34 2roe s LEU 4 N -2.57 0.98 -0.26 3.17 1.43 -0.61 -3.35 118.68 117.46 2roe s LEU 4 Ca 0.28 0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.75 2roe s LEU 4 Cb -0.11 1.01 0.05 0.00 0.03 0.00 0.00 46.19 47.16 2roe s LEU 4 CO 0.20 -0.21 -0.08 -0.75 0.23 0.00 0.00 176.35 175.74 2roe s LYS 5 N -0.38 2.44 0.45 1.70 2.20 0.22 -1.42 119.74 124.95 2roe s LYS 5 Ca -0.05 -1.23 -0.06 0.00 -0.36 0.00 0.00 55.97 54.28 2roe s LYS 5 Cb -0.03 -2.95 -0.04 0.00 -1.51 0.00 0.00 37.83 33.29 2roe s LYS 5 CO 0.01 -0.53 0.75 0.08 -0.36 0.00 0.00 175.35 175.31 2roe s VAL 6 N 1.19 4.91 -0.20 4.02 1.01 -0.99 -1.56 120.40 128.78 2roe s VAL 6 Ca -0.05 0.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.99 2roe s VAL 6 Cb -0.19 -3.84 0.06 0.00 0.00 0.00 0.00 36.38 32.41 2roe s VAL 6 CO -0.05 -0.75 0.51 -0.70 0.00 0.00 0.00 175.10 174.11 2roe s GLU 7 N -4.50 0.55 0.00 2.72 2.12 -0.25 -4.70 118.70 114.63 2roe s GLU 7 Ca 0.47 0.82 0.00 0.00 0.36 0.00 0.00 54.97 56.63 2roe s GLU 7 Cb -0.10 0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.45 2roe s GLU 7 CO 0.41 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.43 2roe n GLY 8 N 3.55 1.15 3.72 -1.50 0.00 -1.26 -1.61 105.19 109.22 2roe n GLY 8 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.58 4.48 0.00 1.61 -1.94 -1.26 -4.93 119.30 116.68 2roe s MET 9 Ca 0.00 1.69 0.00 0.00 -1.71 0.00 0.00 55.69 55.67 2roe s MET 9 Cb 0.00 -3.36 0.00 0.00 2.01 0.00 0.00 34.83 33.48 2roe s MET 9 CO 0.00 -0.17 0.30 0.25 -0.01 0.00 0.00 175.02 175.39 2roe n THR 10 N 3.75 0.00 -3.76 2.05 -2.24 -1.26 -5.05 114.28 107.77 2roe n THR 10 Ca 0.08 -0.34 -0.10 0.00 -2.27 0.00 0.00 64.05 61.41 2roe n THR 10 Cb 0.47 1.28 -0.07 0.00 -2.10 0.00 0.00 70.33 69.92 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 2.85 0.00 0.33 0.00 2.35 -2.02 -0.95 115.58 118.15 2roe h ASN 12 Ca -0.33 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.41 2roe h ASN 12 Cb 1.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.58 2roe h ASN 12 CO 0.50 0.00 -0.06 0.45 -1.65 0.00 0.00 177.43 176.67 2roe h HIS 13 N 0.00 0.00 -0.06 1.19 3.86 -2.00 -2.59 115.15 115.54 2roe h HIS 13 Ca 0.17 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 2roe h HIS 13 Cb 0.73 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.20 2roe h HIS 13 CO 0.00 0.06 -0.06 0.00 0.86 0.00 0.00 177.93 178.80 2roe h VAL 15 N -0.29 0.05 -0.08 0.00 2.07 -1.58 -1.20 116.25 115.22 2roe h VAL 15 Ca 0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.55 2roe h VAL 15 Cb 0.56 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2roe h VAL 15 CO 0.01 0.00 0.08 0.00 0.02 0.00 0.00 177.57 177.68 2roe h MET 16 N -0.60 0.00 0.04 1.57 -0.00 -1.63 0.31 114.93 114.63 2roe h MET 16 Ca 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.74 2roe h MET 16 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.29 2roe h MET 16 CO -0.39 0.00 -0.02 0.00 -0.00 0.00 0.00 176.91 176.50 2roe h ALA 17 N 1.92 -0.05 -0.89 -3.00 0.00 -1.18 -2.90 119.26 113.16 2roe h ALA 17 Ca 0.04 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.73 2roe h ALA 17 Cb 0.19 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 2roe h ALA 17 CO -0.00 -0.21 0.55 0.28 0.00 0.00 0.00 179.25 179.87 2roe h VAL 18 N -0.69 1.00 0.72 0.00 2.07 -0.47 -1.27 116.25 117.61 2roe h VAL 18 Ca -0.01 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 2roe h VAL 18 Cb 0.61 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2roe h VAL 18 CO 0.01 0.18 -0.46 0.74 0.02 0.00 0.00 177.57 178.06 2roe h THR 19 N 0.96 0.09 -0.95 2.57 2.02 -1.00 0.43 112.91 117.02 2roe h THR 19 Ca 0.40 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.67 2roe h THR 19 Cb 0.26 0.09 -0.07 0.00 -1.74 0.00 0.00 68.15 66.68 2roe h THR 19 CO -0.20 0.00 0.61 0.50 0.37 0.00 0.00 175.52 176.80 2roe h LYS 20 N -1.11 0.99 -0.35 6.66 3.64 -1.25 -1.33 116.57 123.82 2roe h LYS 20 Ca -0.09 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.09 2roe h LYS 20 Cb 0.90 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 2roe h LYS 20 CO 0.08 0.65 -0.35 0.00 -2.27 0.00 0.00 179.45 177.57 2roe h ALA 21 N 1.52 0.73 0.00 5.00 0.00 -1.03 -2.36 119.26 123.11 2roe h ALA 21 Ca 0.43 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2roe h ALA 21 Cb 0.32 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2roe h ALA 21 CO -0.19 0.66 -0.13 -0.07 0.00 0.00 0.00 179.25 179.52 2roe h LEU 22 N 0.66 0.00 -0.01 0.00 3.38 0.23 -0.15 115.31 119.43 2roe h LEU 22 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2roe h LEU 22 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2roe h LEU 22 CO 0.08 0.13 -0.12 0.29 0.09 0.00 0.00 178.44 178.92 2roe n LYS 23 N -3.88 0.05 0.06 1.13 5.02 -0.93 -3.40 118.16 116.21 2roe n LYS 23 Ca -0.02 -0.01 0.12 0.00 -2.02 0.00 0.00 58.31 56.38 2roe n LYS 23 Cb 0.23 -1.50 0.46 0.00 -0.02 0.00 0.00 35.03 34.20 2roe n LYS 23 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2roe n LYS 24 N -1.47 0.11 -2.59 1.97 2.85 -0.07 -4.77 118.16 114.20 2roe n LYS 24 Ca 0.07 0.21 -0.43 0.00 -1.05 0.00 0.00 58.31 57.12 2roe n LYS 24 Cb 0.33 -1.66 -0.02 0.00 -0.65 0.00 0.00 35.03 33.03 2roe n LYS 24 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2roe s VAL 25 N -3.10 4.55 -0.45 0.58 1.01 -1.22 -5.00 120.40 116.78 2roe s VAL 25 Ca 0.09 1.85 -0.28 0.00 0.00 0.00 0.00 61.98 63.64 2roe s VAL 25 Cb 0.13 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.31 2roe s VAL 25 CO 0.45 -0.06 1.60 -2.16 0.00 0.00 0.00 175.10 174.93 2roe s PRO 26 N 2.53 3.30 0.00 2.72 0.04 -1.26 -2.76 135.00 139.57 2roe s PRO 26 Ca 0.50 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.48 2roe s PRO 26 Cb -0.20 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.19 2roe s PRO 26 CO 0.16 -1.91 0.00 0.41 0.04 0.00 0.00 177.00 175.70 2roe n GLY 27 N 5.32 1.13 3.78 0.56 0.00 -1.26 -4.67 105.19 110.04 2roe n GLY 27 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.38 3.36 0.08 1.61 0.11 -1.11 -0.21 120.40 123.86 2roe s VAL 28 Ca 0.00 0.44 0.00 0.00 -2.93 0.00 0.00 61.98 59.49 2roe s VAL 28 Cb 0.00 -3.05 0.00 0.00 -1.53 0.00 0.00 36.38 31.80 2roe s VAL 28 CO 0.00 -0.58 0.00 -0.62 -3.33 0.00 0.00 175.10 170.57 2roe n GLU 29 N -3.46 0.00 -4.35 1.54 1.02 -1.26 -4.84 120.64 109.29 2roe n GLU 29 Ca 0.08 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 57.02 2roe n GLU 29 Cb 0.54 -0.08 -0.10 0.00 -0.02 0.00 0.00 31.44 31.78 2roe n GLU 29 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2roe s LYS 30 N -1.39 1.34 0.16 3.49 1.02 -1.26 -4.94 119.74 118.17 2roe s LYS 30 Ca 0.00 -1.54 -0.12 0.00 0.02 0.00 0.00 55.97 54.32 2roe s LYS 30 Cb 0.00 -1.25 0.01 0.00 -0.52 0.00 0.00 37.83 36.06 2roe s LYS 30 CO 0.00 0.23 0.36 0.14 -0.92 0.00 0.00 175.35 175.16 2roe s VAL 31 N -2.61 0.06 -0.07 3.17 -7.23 -1.26 -0.99 120.40 111.47 2roe s VAL 31 Ca 0.21 -1.10 -0.13 0.00 -1.81 0.00 0.00 61.98 59.15 2roe s VAL 31 Cb -0.03 -1.65 0.03 0.00 0.56 0.00 0.00 36.38 35.29 2roe s VAL 31 CO 0.08 -0.27 0.32 -0.70 -0.31 0.00 0.00 175.10 174.21 2roe s GLU 32 N -3.91 0.52 -0.06 4.82 -6.30 -0.52 -4.96 118.70 108.29 2roe s GLU 32 Ca 0.12 0.15 -0.05 0.00 -2.50 0.00 0.00 54.97 52.69 2roe s GLU 32 Cb 0.02 0.24 0.02 0.00 0.00 0.00 0.00 34.13 34.41 2roe s GLU 32 CO -0.03 -0.11 0.16 0.08 0.02 0.00 0.00 175.26 175.38 2roe s VAL 33 N -0.54 -0.02 -0.14 3.70 1.01 -1.26 -0.56 120.40 122.59 2roe s VAL 33 Ca -0.07 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 2roe s VAL 33 Cb -0.04 -0.24 0.04 0.00 0.00 0.00 0.00 36.38 36.15 2roe s VAL 33 CO 0.02 0.02 0.01 -0.44 0.00 0.00 0.00 175.10 174.71 2roe s SER 34 N 0.44 2.37 0.05 3.32 0.01 -0.50 -5.00 113.70 114.40 2roe s SER 34 Ca -0.03 -0.50 -0.25 0.00 1.31 0.00 0.00 55.95 56.47 2roe s SER 34 Cb -0.04 -0.59 -0.13 0.00 0.21 0.00 0.00 66.02 65.47 2roe s SER 34 CO -0.02 -0.24 1.39 0.25 0.41 0.00 0.00 173.24 175.03 2roe h LEU 35 N 8.26 -0.90 -2.02 2.44 5.85 -1.96 -0.08 115.31 126.89 2roe h LEU 35 Ca -0.19 0.06 0.14 0.00 0.84 0.00 0.00 57.88 58.73 2roe h LEU 35 Cb 1.12 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 2roe h LEU 35 CO 0.32 -0.51 0.38 1.05 -0.34 0.00 0.00 178.44 179.35 2roe h GLU 36 N -0.80 0.00 0.00 1.25 4.11 -1.97 -2.69 114.58 114.48 2roe h GLU 36 Ca -0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 2roe h GLU 36 Cb 0.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 2roe h GLU 36 CO 0.04 0.00 -0.16 0.87 0.07 0.00 0.00 179.01 179.83 2roe h LYS 37 N 0.00 0.00 0.00 1.06 1.79 -1.97 -3.49 116.57 113.95 2roe h LYS 37 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 2roe h LYS 37 Cb 1.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 2roe h LYS 37 CO -0.00 0.23 0.00 0.41 -1.08 0.00 0.00 179.45 179.01 2roe n GLY 38 N 1.70 1.66 3.27 3.86 0.00 -0.05 -5.10 105.19 110.53 2roe n GLY 38 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.54 1.31 0.03 1.61 8.01 -1.20 -2.35 118.70 125.57 2roe s GLU 39 Ca 0.00 -1.70 -0.03 0.00 0.01 0.00 0.00 54.97 53.26 2roe s GLU 39 Cb 0.00 -0.09 -0.02 0.00 -4.31 0.00 0.00 34.13 29.71 2roe s GLU 39 CO 0.00 -0.31 0.03 0.00 0.01 0.00 0.00 175.26 174.98 2roe s ALA 40 N -3.88 0.06 0.15 5.21 0.00 -0.50 -1.41 121.76 121.39 2roe s ALA 40 Ca 0.37 -0.60 0.06 0.00 0.00 0.00 0.00 51.96 51.79 2roe s ALA 40 Cb 0.07 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 2roe s ALA 40 CO 0.12 -0.23 -0.14 -0.51 0.00 0.00 0.00 175.76 174.99 2roe s LEU 41 N -1.82 2.45 0.02 0.00 2.01 0.27 -1.57 118.68 120.05 2roe s LEU 41 Ca -0.10 -0.88 0.01 0.00 0.01 0.00 0.00 54.13 53.17 2roe s LEU 41 Cb -0.05 -0.59 -0.02 0.00 0.01 0.00 0.00 46.19 45.54 2roe s LEU 41 CO -0.03 -0.15 -0.05 -0.69 1.01 0.00 0.00 176.35 176.44 2roe s VAL 42 N -2.41 0.34 0.00 -1.59 1.01 -0.63 -1.43 120.40 115.68 2roe s VAL 42 Ca 0.13 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.31 2roe s VAL 42 Cb -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.94 2roe s VAL 42 CO 0.04 -0.31 0.08 -0.62 0.00 0.00 0.00 175.10 174.29 2roe n GLU 43 N 1.88 4.04 0.00 2.72 -0.58 -0.16 -1.91 120.64 126.63 2roe n GLU 43 Ca -0.21 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.46 2roe n GLU 43 Cb 0.56 -0.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.95 2roe n GLU 43 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2roe n GLY 44 N 0.60 0.43 0.84 0.62 0.00 -1.26 -4.77 105.19 101.65 2roe n GLY 44 Ca 0.00 -1.66 0.08 0.00 0.00 0.00 0.00 46.02 44.44 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 0.64 -1.67 2.61 5.66 0.71 -4.79 114.28 117.44 2roe n THR 45 Ca 0.00 -0.82 -0.38 0.00 -3.05 0.00 0.00 64.05 59.80 2roe n THR 45 Cb 0.00 0.81 0.05 0.00 -1.55 0.00 0.00 70.33 69.63 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 0.97 0.78 -1.79 1.79 0.00 -1.10 -4.87 120.51 116.28 2roe n ALA 46 Ca 0.14 0.06 -0.36 0.00 0.00 0.00 0.00 53.44 53.29 2roe n ALA 46 Cb 0.47 -2.22 -0.06 0.00 0.00 0.00 0.00 19.45 17.64 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 -1.11 7.03 0.18 0.00 1.01 -1.26 -4.96 116.67 117.56 2roe s ASP 47 Ca 0.74 1.85 -0.11 0.00 0.71 0.00 0.00 52.55 55.75 2roe s ASP 47 Cb -0.42 -2.57 0.10 0.00 1.01 0.00 0.00 42.92 41.03 2roe s ASP 47 CO 0.47 -0.29 1.76 1.55 0.21 0.00 0.00 175.17 178.87 2roe h PRO 48 N 2.57 0.94 -0.90 8.23 0.13 -1.99 -1.96 132.00 139.02 2roe h PRO 48 Ca -0.48 -0.15 0.06 0.00 -0.87 0.00 0.00 66.00 64.56 2roe h PRO 48 Cb 1.20 -0.16 -0.06 0.00 0.13 0.00 0.00 31.00 32.11 2roe h PRO 48 CO 0.63 0.77 0.58 1.57 -0.23 0.00 0.00 178.00 181.32 2roe h LYS 49 N 0.89 0.99 0.04 0.86 2.10 -2.00 -0.61 116.57 118.85 2roe h LYS 49 Ca 0.22 -0.06 -0.22 0.00 -2.00 0.00 0.00 60.65 58.59 2roe h LYS 49 Cb 0.15 -0.22 -0.01 0.00 -0.90 0.00 0.00 32.23 31.25 2roe h LYS 49 CO -0.02 0.66 -1.00 0.00 -2.00 0.00 0.00 179.45 177.08 2roe h ALA 50 N 1.51 0.36 -0.06 0.07 0.00 -1.88 -2.88 119.26 116.39 2roe h ALA 50 Ca 0.38 -0.80 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2roe h ALA 50 Cb 0.19 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2roe h ALA 50 CO -0.14 0.99 0.01 -0.07 0.00 0.00 0.00 179.25 180.03 2roe h LEU 51 N 0.09 0.09 -0.00 0.00 3.38 -0.60 -1.79 115.31 116.47 2roe h LEU 51 Ca -0.06 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 2roe h LEU 51 Cb 1.69 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.41 2roe h LEU 51 CO 0.15 0.35 0.00 1.62 0.09 0.00 0.00 178.44 180.66 2roe h VAL 52 N -0.17 1.13 -0.00 1.22 3.04 -1.23 -2.87 116.25 117.37 2roe h VAL 52 Ca 0.02 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 2roe h VAL 52 Cb 0.30 1.39 -0.00 0.00 -2.01 0.00 0.00 31.29 30.97 2roe h VAL 52 CO 0.00 0.10 0.00 -0.61 -1.01 0.00 0.00 177.57 176.05 2roe h GLN 53 N -0.16 0.00 -0.21 4.17 -0.00 -1.53 -0.59 115.11 116.79 2roe h GLN 53 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.54 2roe h GLN 53 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.63 2roe h GLN 53 CO -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 178.83 178.49 2roe h ALA 54 N 2.00 1.02 0.16 3.38 0.00 -1.10 -1.97 119.26 122.76 2roe h ALA 54 Ca 0.00 -0.39 -0.31 0.00 0.00 0.00 0.00 54.91 54.21 2roe h ALA 54 Cb 0.01 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 17.72 2roe h ALA 54 CO -0.00 0.59 -1.31 0.28 0.00 0.00 0.00 179.25 178.81 2roe h VAL 55 N 0.38 1.31 -0.11 0.00 2.07 -1.07 -3.22 116.25 115.60 2roe h VAL 55 Ca 0.04 -2.59 -0.02 0.00 0.82 0.00 0.00 66.70 64.95 2roe h VAL 55 Cb 0.78 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.36 2roe h VAL 55 CO 0.06 0.78 -0.03 -0.33 0.02 0.00 0.00 177.57 178.08 2roe h GLU 56 N 0.22 0.16 0.00 1.57 5.08 -1.18 -1.10 114.58 119.32 2roe h GLU 56 Ca -0.20 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2roe h GLU 56 Cb 1.99 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 31.21 2roe h GLU 56 CO 0.25 0.20 -0.06 0.93 -1.00 0.00 0.00 179.01 179.33 2roe h GLU 57 N 0.16 0.00 -0.01 2.33 4.39 -1.37 -2.08 114.58 118.01 2roe h GLU 57 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2roe h GLU 57 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2roe h GLU 57 CO 0.01 0.06 -0.12 0.39 -1.16 0.00 0.00 179.01 178.18 2roe n GLU 58 N -3.37 0.82 -0.29 2.33 -0.58 -0.42 -4.93 120.64 114.21 2roe n GLU 58 Ca -0.02 -0.34 0.00 0.00 -0.42 0.00 0.00 57.16 56.38 2roe n GLU 58 Cb 0.21 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 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 1.27 0.83 3.60 0.62 0.00 -0.78 -5.07 105.19 105.66 2roe n GLY 59 Ca 0.15 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 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 2.49 -0.11 1.61 2.02 -1.24 -5.06 117.35 115.06 2roe s TYR 60 Ca 0.00 -0.52 -0.05 0.00 -0.37 0.00 0.00 57.07 56.13 2roe s TYR 60 Cb 0.00 -1.55 -0.04 0.00 -0.40 0.00 0.00 41.96 39.98 2roe s TYR 60 CO 0.00 0.49 0.07 0.21 -1.57 0.00 0.00 175.55 174.75 2roe s LYS 61 N -3.69 3.30 0.08 -0.62 2.20 -0.64 -3.91 119.74 116.47 2roe s LYS 61 Ca 0.34 -0.28 0.02 0.00 -0.36 0.00 0.00 55.97 55.70 2roe s LYS 61 Cb 0.03 -3.01 -0.04 0.00 -1.51 0.00 0.00 37.83 33.30 2roe s LYS 61 CO 0.18 0.69 -0.08 0.00 -0.36 0.00 0.00 175.35 175.78 2roe s ALA 62 N -0.80 0.88 -0.14 3.13 0.00 -1.26 -1.09 121.76 122.47 2roe s ALA 62 Ca 0.13 -1.15 -0.11 0.00 0.00 0.00 0.00 51.96 50.83 2roe s ALA 62 Cb -0.12 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.14 2roe s ALA 62 CO 0.03 -0.13 0.37 -2.00 0.00 0.00 0.00 175.76 174.02 2roe s GLU 63 N -2.97 0.40 0.21 0.00 2.56 -0.60 -4.96 118.70 113.35 2roe s GLU 63 Ca 0.04 0.57 -0.25 0.00 0.00 0.00 0.00 54.97 55.33 2roe s GLU 63 Cb -0.01 0.14 -0.08 0.00 2.00 0.00 0.00 34.13 36.18 2roe s GLU 63 CO -0.02 -0.08 0.82 0.08 -0.56 0.00 0.00 175.26 175.49 2roe s VAL 64 N 0.52 4.33 -0.36 3.70 1.01 -1.26 -0.61 120.40 127.73 2roe s VAL 64 Ca -0.03 1.71 0.05 0.00 0.00 0.00 0.00 61.98 63.72 2roe s VAL 64 Cb -0.04 -4.10 0.46 0.00 0.00 0.00 0.00 36.38 32.69 2roe s VAL 64 CO -0.03 0.42 1.34 0.18 0.00 0.00 0.00 175.10 177.01 2roe n LEU 65 N 1.29 5.41 -0.92 3.92 4.77 -1.21 -4.94 117.00 125.31 2roe n LEU 65 Ca -0.04 -4.66 0.12 0.00 -0.03 0.00 0.00 56.01 51.41 2roe n LEU 65 Cb 0.49 -0.46 0.14 0.00 -2.33 0.00 0.00 43.42 41.26 2roe n LEU 65 CO 0.46 1.99 0.65 0.00 -1.33 0.00 0.00 177.39 179.16