#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2roe n LEU 2 N 0.00 1.58 -4.92 -0.89 4.77 -0.85 -4.55 117.00 112.14 2roe n LEU 2 Ca 0.00 1.13 -0.30 0.00 -0.03 0.00 0.00 56.01 56.81 2roe n LEU 2 Cb 0.00 -1.20 -0.04 0.00 -2.33 0.00 0.00 43.42 39.86 2roe n LEU 2 CO 0.00 -1.14 -0.14 -0.54 -1.33 0.00 0.00 177.39 174.24 2roe s LYS 3 N 0.19 3.43 -0.10 3.23 1.02 -1.26 -0.76 119.74 125.49 2roe s LYS 3 Ca 0.81 -0.48 -0.17 0.00 0.02 0.00 0.00 55.97 56.15 2roe s LYS 3 Cb -0.92 -3.02 0.04 0.00 -0.52 0.00 0.00 37.83 33.41 2roe s LYS 3 CO 0.49 0.59 0.42 -0.51 -0.92 0.00 0.00 175.35 175.42 2roe s LEU 4 N -2.67 0.39 -0.19 3.17 1.43 -0.54 -3.28 118.68 116.99 2roe s LEU 4 Ca 0.35 0.60 -0.05 0.00 -1.03 0.00 0.00 54.13 53.99 2roe s LEU 4 Cb -0.13 1.54 -0.03 0.00 0.03 0.00 0.00 46.19 47.61 2roe s LEU 4 CO 0.28 -0.30 -0.01 -0.75 0.23 0.00 0.00 176.35 175.80 2roe s LYS 5 N -0.46 3.64 -0.04 1.70 2.36 0.09 -1.45 119.74 125.58 2roe s LYS 5 Ca -0.06 -0.52 0.05 0.00 -2.55 0.00 0.00 55.97 52.89 2roe s LYS 5 Cb -0.03 -3.05 -0.02 0.00 -1.05 0.00 0.00 37.83 33.67 2roe s LYS 5 CO 0.03 0.06 -0.17 0.08 1.55 0.00 0.00 175.35 176.90 2roe s VAL 6 N 0.87 2.84 -0.11 4.02 1.01 -0.16 -1.76 120.40 127.11 2roe s VAL 6 Ca 0.01 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.18 2roe s VAL 6 Cb -0.14 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.16 2roe s VAL 6 CO 0.02 0.58 -0.14 -1.61 0.00 0.00 0.00 175.10 173.94 2roe s GLU 7 N -0.73 2.14 0.00 2.72 2.02 0.27 -4.49 118.70 120.62 2roe s GLU 7 Ca 0.11 -0.53 0.00 0.00 0.02 0.00 0.00 54.97 54.57 2roe s GLU 7 Cb -0.10 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.28 2roe s GLU 7 CO 0.00 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.61 2roe n GLY 8 N 4.25 1.29 3.56 -1.39 0.00 -1.26 -1.99 105.19 109.65 2roe n GLY 8 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 2.99 0.00 1.61 -1.94 -1.26 -4.71 119.30 116.00 2roe s MET 9 Ca 0.00 -0.63 0.22 0.00 -1.71 0.00 0.00 55.69 53.57 2roe s MET 9 Cb 0.00 -5.17 -0.15 0.00 2.01 0.00 0.00 34.83 31.51 2roe s MET 9 CO 0.00 -2.88 0.88 -2.37 -0.01 0.00 0.00 175.02 170.65 2roe n THR 10 N 7.45 0.03 -4.19 2.05 5.66 -1.26 -4.89 114.28 119.12 2roe n THR 10 Ca 0.37 -0.13 -0.11 0.00 -3.05 0.00 0.00 64.05 61.13 2roe n THR 10 Cb 0.49 0.65 -0.10 0.00 -1.55 0.00 0.00 70.33 69.81 2roe n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2roe h ASN 12 N 2.87 0.80 -0.79 0.00 -0.73 -2.00 -0.86 115.58 114.87 2roe h ASN 12 Ca -0.36 -0.01 0.04 0.00 1.87 0.00 0.00 56.30 57.84 2roe h ASN 12 Cb 1.18 -0.19 -0.05 0.00 0.27 0.00 0.00 38.32 39.54 2roe h ASN 12 CO 0.64 0.55 0.52 -0.74 -0.37 0.00 0.00 177.43 178.03 2roe h HIS 13 N 0.93 0.93 -0.30 0.67 2.76 -1.99 -1.30 115.15 116.86 2roe h HIS 13 Ca 0.30 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.49 2roe h HIS 13 Cb 0.04 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 28.67 2roe h HIS 13 CO -0.00 0.54 0.19 0.00 -1.30 0.00 0.00 177.93 177.36 2roe h VAL 15 N 0.40 0.50 0.00 0.00 2.07 -1.28 0.71 116.25 118.65 2roe h VAL 15 Ca 0.11 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 2roe h VAL 15 Cb -0.03 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2roe h VAL 15 CO -0.02 0.01 -0.10 0.00 0.02 0.00 0.00 177.57 177.48 2roe h MET 16 N -0.71 0.00 0.12 1.57 -0.00 -1.18 -0.22 114.93 114.51 2roe h MET 16 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.63 2roe h MET 16 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.14 2roe h MET 16 CO 0.11 0.10 -0.06 0.00 -0.00 0.00 0.00 176.91 177.07 2roe h ALA 17 N 1.90 -0.17 -0.55 -3.00 0.00 -0.78 -2.29 119.26 114.38 2roe h ALA 17 Ca -0.00 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 54.76 2roe h ALA 17 Cb 0.20 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 2roe h ALA 17 CO 0.01 -0.29 0.11 0.28 0.00 0.00 0.00 179.25 179.37 2roe h VAL 18 N -0.77 0.68 0.05 0.00 2.07 -0.52 0.12 116.25 117.88 2roe h VAL 18 Ca -0.02 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.44 2roe h VAL 18 Cb 0.55 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2roe h VAL 18 CO 0.03 0.05 -0.30 0.74 0.02 0.00 0.00 177.57 178.10 2roe h THR 19 N 0.25 0.34 -0.57 2.57 2.02 -1.08 0.16 112.91 116.60 2roe h THR 19 Ca 0.28 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.43 2roe h THR 19 Cb 0.39 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 2roe h THR 19 CO -0.36 0.00 0.23 0.11 0.37 0.00 0.00 175.52 175.86 2roe h LYS 20 N -0.48 0.83 -0.29 6.66 1.57 -0.60 -1.60 116.57 122.67 2roe h LYS 20 Ca 0.05 -0.13 -0.17 0.00 -1.87 0.00 0.00 60.65 58.53 2roe h LYS 20 Cb 0.54 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 2roe h LYS 20 CO -0.22 0.69 -0.49 0.00 -0.57 0.00 0.00 179.45 178.86 2roe h ALA 21 N 1.43 0.45 -0.73 3.86 0.00 -0.31 -3.17 119.26 120.78 2roe h ALA 21 Ca 0.20 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2roe h ALA 21 Cb 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2roe h ALA 21 CO -0.02 0.62 0.31 -0.07 0.00 0.00 0.00 179.25 180.09 2roe h LEU 22 N 0.61 1.00 -0.44 0.00 3.38 -0.39 -2.17 115.31 117.30 2roe h LEU 22 Ca 0.02 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2roe h LEU 22 Cb 1.10 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2roe h LEU 22 CO 0.11 0.89 0.00 0.29 0.09 0.00 0.00 178.44 179.82 2roe n LYS 23 N -4.35 0.05 0.23 1.13 5.02 -0.63 -1.69 118.16 117.92 2roe n LYS 23 Ca 0.06 0.50 0.13 0.00 -2.02 0.00 0.00 58.31 56.98 2roe n LYS 23 Cb 0.17 -1.65 0.30 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 -1.44 -3.44 116.57 108.66 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 0.06 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.41 2roe h LYS 24 CO 0.00 0.02 0.92 0.08 -0.57 0.00 0.00 179.45 179.90 2roe s VAL 25 N -3.33 2.67 -0.59 0.50 1.01 -0.68 -4.90 120.40 115.09 2roe s VAL 25 Ca 0.05 0.42 -0.26 0.00 0.00 0.00 0.00 61.98 62.18 2roe s VAL 25 Cb 0.06 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 2roe s VAL 25 CO 0.64 0.02 1.94 -2.16 0.00 0.00 0.00 175.10 175.55 2roe s PRO 26 N 1.52 2.56 0.00 2.72 0.04 -1.26 -2.28 135.00 138.29 2roe s PRO 26 Ca 0.71 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.50 2roe s PRO 26 Cb -0.43 -4.41 0.00 0.00 0.04 0.00 0.00 34.50 29.69 2roe s PRO 26 CO 0.32 -2.80 0.00 0.41 0.04 0.00 0.00 177.00 174.97 2roe n GLY 27 N 5.74 0.45 3.56 0.56 0.00 -1.26 -4.70 105.19 109.53 2roe n GLY 27 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.47 4.04 -0.07 1.61 1.01 -0.97 -1.05 120.40 124.50 2roe s VAL 28 Ca 0.00 0.64 -0.16 0.00 0.00 0.00 0.00 61.98 62.46 2roe s VAL 28 Cb 0.00 -4.73 -0.11 0.00 0.00 0.00 0.00 36.38 31.54 2roe s VAL 28 CO 0.00 -1.41 0.60 -0.33 0.00 0.00 0.00 175.10 173.96 2roe h GLU 29 N 9.60 -0.21 -3.75 2.72 4.39 -1.90 -3.47 114.58 121.96 2roe h GLU 29 Ca -0.26 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.37 2roe h GLU 29 Cb 1.06 0.05 -0.14 0.00 -0.10 0.00 0.00 28.75 29.62 2roe h GLU 29 CO 1.19 0.12 -0.32 0.21 -1.16 0.00 0.00 179.01 179.05 2roe s LYS 30 N -2.82 0.91 0.06 2.33 2.36 -1.26 -4.95 119.74 116.37 2roe s LYS 30 Ca -0.09 -0.95 0.02 0.00 -2.55 0.00 0.00 55.97 52.40 2roe s LYS 30 Cb 0.00 0.37 -0.03 0.00 -1.05 0.00 0.00 37.83 37.12 2roe s LYS 30 CO 0.33 -0.31 -0.07 0.08 1.55 0.00 0.00 175.35 176.93 2roe s VAL 31 N -3.86 0.57 -0.37 4.02 1.01 -1.26 -0.85 120.40 119.66 2roe s VAL 31 Ca 0.06 -1.38 0.00 0.00 0.00 0.00 0.00 61.98 60.66 2roe s VAL 31 Cb 0.04 -0.98 0.14 0.00 0.00 0.00 0.00 36.38 35.57 2roe s VAL 31 CO -0.10 -0.57 0.21 -0.70 0.00 0.00 0.00 175.10 173.95 2roe s GLU 32 N -2.39 0.72 -0.11 2.72 2.56 0.32 -4.96 118.70 117.55 2roe s GLU 32 Ca -0.02 -1.46 -0.08 0.00 0.00 0.00 0.00 54.97 53.41 2roe s GLU 32 Cb -0.04 -1.57 -0.04 0.00 2.00 0.00 0.00 34.13 34.47 2roe s GLU 32 CO -0.02 -1.18 0.17 0.08 -0.56 0.00 0.00 175.26 173.75 2roe s VAL 33 N 0.95 5.44 -0.03 3.70 1.01 -1.26 -1.05 120.40 129.16 2roe s VAL 33 Ca 0.17 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.49 2roe s VAL 33 Cb -0.23 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 2roe s VAL 33 CO -0.01 0.60 -0.17 -0.55 0.00 0.00 0.00 175.10 174.97 2roe s SER 34 N -0.92 2.09 0.04 3.32 0.15 -0.64 -4.98 113.70 112.75 2roe s SER 34 Ca 0.16 -0.33 -0.31 0.00 0.70 0.00 0.00 55.95 56.16 2roe s SER 34 Cb -0.12 -0.46 -0.17 0.00 -1.71 0.00 0.00 66.02 63.55 2roe s SER 34 CO 0.05 0.17 1.33 0.25 1.20 0.00 0.00 173.24 176.24 2roe h LEU 35 N 6.07 -0.95 -0.42 3.45 5.85 -1.91 -0.72 115.31 126.68 2roe h LEU 35 Ca -0.34 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.43 2roe h LEU 35 Cb 1.16 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.41 2roe h LEU 35 CO 0.48 -0.62 0.25 1.05 -0.34 0.00 0.00 178.44 179.27 2roe h GLU 36 N -1.24 0.50 -0.01 1.25 4.11 -1.97 -3.04 114.58 114.18 2roe h GLU 36 Ca -0.11 -0.03 -0.17 0.00 0.07 0.00 0.00 59.36 59.12 2roe h GLU 36 Cb 0.86 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 2roe h GLU 36 CO 0.19 0.33 -0.77 0.87 0.07 0.00 0.00 179.01 179.69 2roe h LYS 37 N 0.51 0.11 -2.97 1.06 1.57 -1.99 -3.47 116.57 111.39 2roe h LYS 37 Ca 0.16 -0.10 -0.16 0.00 -1.87 0.00 0.00 60.65 58.68 2roe h LYS 37 Cb -0.01 0.03 0.06 0.00 0.08 0.00 0.00 32.23 32.38 2roe h LYS 37 CO -0.07 0.83 -0.27 0.41 -0.57 0.00 0.00 179.45 179.78 2roe n GLY 38 N 0.66 0.34 3.22 3.86 0.00 -0.28 -4.96 105.19 108.03 2roe n GLY 38 Ca -0.02 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 2roe n GLY 38 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2roe s GLU 39 N -5.43 1.15 -0.05 1.61 4.04 -1.22 -0.99 118.70 117.81 2roe s GLU 39 Ca 0.21 -1.58 -0.01 0.00 0.04 0.00 0.00 54.97 53.63 2roe s GLU 39 Cb -0.09 0.02 0.03 0.00 0.02 0.00 0.00 34.13 34.11 2roe s GLU 39 CO 0.29 -0.27 0.01 0.00 -1.84 0.00 0.00 175.26 173.45 2roe s ALA 40 N -3.93 0.45 -0.00 -0.84 0.00 -0.53 -1.63 121.76 115.28 2roe s ALA 40 Ca 0.31 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.36 2roe s ALA 40 Cb 0.07 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 2roe s ALA 40 CO 0.08 -0.32 -0.08 -0.51 0.00 0.00 0.00 175.76 174.93 2roe s LEU 41 N 1.66 3.09 -0.12 0.00 1.43 -0.22 -1.46 118.68 123.06 2roe s LEU 41 Ca -0.01 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 2roe s LEU 41 Cb -0.13 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.34 2roe s LEU 41 CO -0.03 0.29 -0.20 -0.69 0.23 0.00 0.00 176.35 175.95 2roe s VAL 42 N -0.96 1.84 -2.50 -1.59 1.01 0.06 -0.52 120.40 117.74 2roe s VAL 42 Ca 0.16 -0.86 0.24 0.00 0.00 0.00 0.00 61.98 61.52 2roe s VAL 42 Cb -0.11 -1.63 0.43 0.00 0.00 0.00 0.00 36.38 35.07 2roe s VAL 42 CO 0.06 0.51 1.52 1.21 0.00 0.00 0.00 175.10 178.40 2roe n GLU 43 N 3.97 1.97 -2.57 2.72 2.13 -0.03 -2.00 120.64 126.82 2roe n GLU 43 Ca -0.20 -1.43 -0.22 0.00 0.66 0.00 0.00 57.16 55.98 2roe n GLU 43 Cb 0.52 -1.45 0.10 0.00 0.27 0.00 0.00 31.44 30.88 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 1.25 0.91 0.94 8.31 0.00 -1.24 -4.57 105.19 110.79 2roe n GLY 44 Ca 0.17 -2.07 0.11 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.69 0.38 -0.60 2.61 -2.24 -0.21 -4.86 114.28 106.67 2roe n THR 45 Ca 0.16 -0.60 -0.29 0.00 -2.27 0.00 0.00 64.05 61.05 2roe n THR 45 Cb 0.57 0.78 0.22 0.00 -2.10 0.00 0.00 70.33 69.80 2roe n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2roe s ALA 46 N -1.62 0.21 0.09 6.98 0.00 -1.22 -4.99 121.76 121.21 2roe s ALA 46 Ca 0.36 0.14 -0.06 0.00 0.00 0.00 0.00 51.96 52.40 2roe s ALA 46 Cb 0.21 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 2roe s ALA 46 CO 0.30 -3.47 0.34 -0.51 0.00 0.00 0.00 175.76 172.42 2roe s ASP 47 N -2.57 6.51 0.14 0.00 1.01 -1.26 -5.03 116.67 115.47 2roe s ASP 47 Ca 0.68 0.60 -0.13 0.00 0.71 0.00 0.00 52.55 54.41 2roe s ASP 47 Cb -0.24 -2.10 -0.01 0.00 1.01 0.00 0.00 42.92 41.58 2roe s ASP 47 CO 0.62 0.14 1.56 1.55 0.21 0.00 0.00 175.17 179.25 2roe h PRO 48 N 3.33 0.83 -0.12 8.23 0.13 -1.97 -1.82 132.00 140.61 2roe h PRO 48 Ca -0.48 -0.30 0.03 0.00 -0.87 0.00 0.00 66.00 64.39 2roe h PRO 48 Cb 1.18 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2roe h PRO 48 CO 0.70 0.92 0.08 1.57 -0.23 0.00 0.00 178.00 181.04 2roe h LYS 49 N 0.67 0.03 0.00 0.86 2.10 -1.99 0.14 116.57 118.37 2roe h LYS 49 Ca 0.12 -0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.68 2roe h LYS 49 Cb 0.59 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.90 2roe h LYS 49 CO 0.04 0.02 -0.66 0.00 -2.00 0.00 0.00 179.45 176.85 2roe h ALA 50 N 1.94 0.71 0.00 0.07 0.00 -1.90 -3.24 119.26 116.83 2roe h ALA 50 Ca 0.05 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2roe h ALA 50 Cb 0.18 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2roe h ALA 50 CO -0.00 0.50 -0.17 -0.07 0.00 0.00 0.00 179.25 179.51 2roe h LEU 51 N 0.00 0.00 -0.97 0.00 3.38 -0.22 -3.32 115.31 114.18 2roe h LEU 51 Ca -0.04 -0.32 0.20 0.00 0.09 0.00 0.00 57.88 57.82 2roe h LEU 51 Cb 1.31 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.95 2roe h LEU 51 CO 0.04 0.75 0.57 1.62 0.09 0.00 0.00 178.44 181.51 2roe h VAL 52 N -1.00 0.66 -0.65 1.22 3.04 -0.98 -0.26 116.25 118.28 2roe h VAL 52 Ca -0.03 -0.23 0.03 0.00 -1.01 0.00 0.00 66.70 65.46 2roe h VAL 52 Cb 0.45 -0.08 -0.04 0.00 -2.01 0.00 0.00 31.29 29.60 2roe h VAL 52 CO -0.02 0.12 0.40 -0.61 -1.01 0.00 0.00 177.57 176.46 2roe h GLN 53 N 0.68 0.76 0.00 4.17 5.75 -1.71 -0.33 115.11 124.43 2roe h GLN 53 Ca 0.58 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 59.03 2roe h GLN 53 Cb 0.94 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.32 2roe h GLN 53 CO -0.41 0.51 0.00 0.00 -2.65 0.00 0.00 178.83 176.28 2roe n ALA 54 N -2.30 1.31 -0.07 3.38 0.00 -0.12 -1.18 120.51 121.54 2roe n ALA 54 Ca 0.06 0.15 -0.22 0.00 0.00 0.00 0.00 53.44 53.43 2roe n ALA 54 Cb 0.08 -1.34 -0.12 0.00 0.00 0.00 0.00 19.45 18.07 2roe n ALA 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2roe n VAL 55 N -2.24 1.63 0.18 0.00 0.31 -0.26 -4.03 118.33 113.92 2roe n VAL 55 Ca 0.00 -0.47 0.04 0.00 -0.01 0.00 0.00 64.34 63.90 2roe n VAL 55 Cb 0.12 -1.74 0.44 0.00 -0.91 0.00 0.00 33.84 31.75 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 -0.30 0.10 0.00 5.55 5.08 -0.87 -1.89 114.58 122.25 2roe h GLU 56 Ca -0.48 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.83 2roe h GLU 56 Cb 1.80 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.03 2roe h GLU 56 CO -0.08 0.28 -0.13 0.93 -1.00 0.00 0.00 179.01 179.01 2roe h GLU 57 N 0.09 0.00 -0.00 2.33 4.39 -1.31 -1.39 114.58 118.69 2roe h GLU 57 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2roe h GLU 57 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2roe h GLU 57 CO 0.03 0.13 -0.03 0.39 -1.16 0.00 0.00 179.01 178.37 2roe n GLU 58 N -4.02 0.04 0.00 2.33 -0.58 -0.71 -4.91 120.64 112.79 2roe n GLU 58 Ca -0.02 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2roe n GLU 58 Cb 0.22 -1.50 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 1.48 0.49 3.96 0.62 0.00 -0.52 -5.10 105.19 106.12 2roe n GLY 59 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 1.60 -0.09 1.61 2.02 -1.21 -5.02 117.35 114.26 2roe s TYR 60 Ca 0.00 0.02 0.02 0.00 -0.37 0.00 0.00 57.07 56.74 2roe s TYR 60 Cb 0.00 -3.55 -0.02 0.00 -0.40 0.00 0.00 41.96 37.99 2roe s TYR 60 CO 0.00 -2.17 -0.15 0.15 -1.57 0.00 0.00 175.55 171.81 2roe s LYS 61 N -5.52 2.99 0.07 -0.62 1.02 -0.84 -4.12 119.74 112.72 2roe s LYS 61 Ca 0.70 -0.71 0.01 0.00 0.02 0.00 0.00 55.97 55.99 2roe s LYS 61 Cb -0.05 -2.49 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 2roe s LYS 61 CO 0.49 0.38 -0.05 0.00 -0.92 0.00 0.00 175.35 175.24 2roe s ALA 62 N -0.09 0.69 -0.24 5.17 0.00 -1.26 -0.57 121.76 125.46 2roe s ALA 62 Ca -0.02 -1.18 -0.19 0.00 0.00 0.00 0.00 51.96 50.56 2roe s ALA 62 Cb -0.14 0.19 0.07 0.00 0.00 0.00 0.00 23.12 23.24 2roe s ALA 62 CO 0.04 -0.26 0.63 -1.83 0.00 0.00 0.00 175.76 174.34 2roe s GLU 63 N -3.49 0.70 0.06 0.00 -1.05 -0.72 -4.99 118.70 109.21 2roe s GLU 63 Ca 0.06 0.97 -0.30 0.00 -0.15 0.00 0.00 54.97 55.55 2roe s GLU 63 Cb 0.04 0.26 -0.05 0.00 -0.44 0.00 0.00 34.13 33.94 2roe s GLU 63 CO -0.06 -0.11 1.05 0.54 0.95 0.00 0.00 175.26 177.63 2roe s VAL 64 N 0.80 4.43 -0.28 1.83 0.11 -1.26 -0.73 120.40 125.29 2roe s VAL 64 Ca -0.04 1.83 0.12 0.00 -2.93 0.00 0.00 61.98 60.97 2roe s VAL 64 Cb -0.05 -4.17 0.74 0.00 -1.53 0.00 0.00 36.38 31.37 2roe s VAL 64 CO -0.06 0.19 1.74 0.18 -3.33 0.00 0.00 175.10 173.82 2roe n LEU 65 N 3.48 5.70 0.00 2.54 4.77 -1.21 -4.93 117.00 127.36 2roe n LEU 65 Ca 0.06 -3.14 0.06 0.00 -0.03 0.00 0.00 56.01 52.96 2roe n LEU 65 Cb 0.49 -0.70 0.36 0.00 -2.33 0.00 0.00 43.42 41.23 2roe n LEU 65 CO 0.53 0.76 0.57 0.00 -1.33 0.00 0.00 177.39 177.92