#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gyr s ARG 6 N 0.00 1.40 -0.01 0.00 1.70 0.17 -4.89 118.95 117.32 2gyr s ARG 6 Ca 0.00 -0.80 -0.30 0.00 -0.47 0.00 0.00 55.73 54.16 2gyr s ARG 6 Cb 0.00 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 2gyr s ARG 6 CO 0.00 -0.64 1.24 -1.17 -1.08 0.00 0.00 175.30 173.65 2gyr s LEU 7 N -3.00 4.31 -0.12 -1.89 2.96 -1.26 -2.14 118.68 117.54 2gyr s LEU 7 Ca 0.13 1.94 -0.06 0.00 -0.22 0.00 0.00 54.13 55.92 2gyr s LEU 7 Cb -0.03 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 2gyr s LEU 7 CO 0.04 -0.57 0.10 -0.13 -1.32 0.00 0.00 176.35 174.47 2gyr s ARG 8 N 1.88 3.41 -0.09 1.98 1.81 0.34 -4.94 118.95 123.34 2gyr s ARG 8 Ca 0.58 -0.22 0.01 0.00 -1.72 0.00 0.00 55.73 54.38 2gyr s ARG 8 Cb -0.27 -3.11 0.02 0.00 -0.45 0.00 0.00 34.95 31.14 2gyr s ARG 8 CO 0.25 0.69 -0.11 0.45 -0.68 0.00 0.00 175.30 175.91 2gyr s SER 9 N -0.81 1.98 0.16 0.23 0.15 -1.26 -1.41 113.70 112.74 2gyr s SER 9 Ca 0.13 -0.31 -0.12 0.00 0.70 0.00 0.00 55.95 56.35 2gyr s SER 9 Cb -0.12 -0.86 0.01 0.00 -1.71 0.00 0.00 66.02 63.34 2gyr s SER 9 CO 0.03 -0.03 0.36 -1.10 1.20 0.00 0.00 173.24 173.70 2gyr s GLN 10 N 1.09 1.17 -0.20 5.44 -0.21 -1.14 -5.01 119.66 120.80 2gyr s GLN 10 Ca -0.06 -0.99 -0.10 0.00 0.02 0.00 0.00 55.36 54.22 2gyr s GLN 10 Cb -0.14 0.43 -0.05 0.00 1.00 0.00 0.00 33.01 34.24 2gyr s GLN 10 CO -0.02 -0.45 0.14 -0.51 -2.12 0.00 0.00 175.29 172.33 2gyr s LEU 11 N -2.90 4.20 0.07 2.90 1.43 -1.26 -1.26 118.68 121.85 2gyr s LEU 11 Ca 0.11 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 2gyr s LEU 11 Cb 0.02 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 2gyr s LEU 11 CO -0.04 0.16 -0.06 0.68 0.23 0.00 0.00 176.35 177.32 2gyr s VAL 12 N 0.45 0.55 0.05 -1.59 -7.23 -0.44 -4.89 120.40 107.29 2gyr s VAL 12 Ca 0.08 -1.57 -0.31 0.00 -1.81 0.00 0.00 61.98 58.38 2gyr s VAL 12 Cb -0.11 -1.21 -0.06 0.00 0.56 0.00 0.00 36.38 35.55 2gyr s VAL 12 CO -0.01 -0.70 1.36 -2.84 -0.31 0.00 0.00 175.10 172.60 2gyr s PRO 13 N -2.94 4.32 0.56 4.82 0.02 -1.26 -2.05 135.00 138.48 2gyr s PRO 13 Ca 0.02 1.96 0.28 0.00 0.02 0.00 0.00 61.00 63.28 2gyr s PRO 13 Cb -0.01 -3.42 1.67 0.00 0.02 0.00 0.00 34.50 32.76 2gyr s PRO 13 CO -0.03 -0.47 2.19 -0.24 -0.33 0.00 0.00 177.00 178.12 2gyr h VAL 14 N 4.62 0.58 -0.05 3.83 3.04 -1.67 -0.39 116.25 126.21 2gyr h VAL 14 Ca -0.40 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 2gyr h VAL 14 Cb 1.20 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 2gyr h VAL 14 CO 0.87 0.04 0.00 -1.14 -1.01 0.00 0.00 177.57 176.33 2gyr n ARG 15 N -3.84 1.19 -0.02 4.17 0.63 -1.11 -2.48 116.66 115.20 2gyr n ARG 15 Ca -0.03 -0.21 0.01 0.00 -0.92 0.00 0.00 57.85 56.71 2gyr n ARG 15 Cb 0.13 -1.23 0.03 0.00 0.45 0.00 0.00 32.46 31.84 2gyr n ARG 15 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2gyr n ALA 16 N -0.20 2.24 -0.23 5.13 0.00 -0.15 -4.52 120.51 122.78 2gyr n ALA 16 Ca 0.02 -0.81 0.07 0.00 0.00 0.00 0.00 53.44 52.73 2gyr n ALA 16 Cb 0.15 -0.10 0.30 0.00 0.00 0.00 0.00 19.45 19.79 2gyr n ALA 16 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2gyr n LEU 17 N -0.07 4.07 -3.65 0.00 4.77 -1.03 -4.97 117.00 116.11 2gyr n LEU 17 Ca 0.02 -2.05 -0.24 0.00 -0.03 0.00 0.00 56.01 53.71 2gyr n LEU 17 Cb 0.19 -0.54 0.01 0.00 -2.33 0.00 0.00 43.42 40.76 2gyr n LEU 17 CO 0.02 0.66 -0.07 0.61 -1.33 0.00 0.00 177.39 177.27 2gyr n GLY 18 N 0.91 -1.16 0.15 -0.72 0.00 -1.26 -4.89 105.19 98.22 2gyr n GLY 18 Ca 0.21 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.74 2gyr n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gyr n LEU 19 N -3.14 0.15 -2.66 0.99 4.77 -1.26 -4.97 117.00 110.87 2gyr n LEU 19 Ca -0.17 -0.46 -0.17 0.00 -0.03 0.00 0.00 56.01 55.18 2gyr n LEU 19 Cb 0.61 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2gyr n LEU 19 CO 0.64 0.11 -0.13 0.61 -1.33 0.00 0.00 177.39 177.29 2gyr n GLY 20 N -0.06 -0.50 3.83 -0.72 0.00 -1.26 -4.91 105.19 101.57 2gyr n GLY 20 Ca 0.00 0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2gyr n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2gyr s HIS 21 N -2.79 3.67 -0.23 1.61 4.02 -1.26 -5.04 115.29 115.26 2gyr s HIS 21 Ca 0.10 0.87 -0.24 0.00 1.02 0.00 0.00 55.06 56.81 2gyr s HIS 21 Cb -0.05 -2.25 -0.01 0.00 -1.02 0.00 0.00 32.58 29.25 2gyr s HIS 21 CO 0.13 0.59 0.80 1.03 1.02 0.00 0.00 174.74 178.31 2gyr s ARG 22 N -0.81 4.20 0.00 1.40 0.52 -1.26 -4.36 118.95 118.63 2gyr s ARG 22 Ca 0.22 0.89 0.00 0.00 -0.52 0.00 0.00 55.73 56.32 2gyr s ARG 22 Cb -0.15 -3.63 0.00 0.00 0.52 0.00 0.00 34.95 31.69 2gyr s ARG 22 CO 0.11 -0.45 0.00 0.45 0.02 0.00 0.00 175.30 175.42 2gyr n SER 23 N 5.77 0.00 -0.86 0.23 2.88 -1.26 -1.28 113.62 119.10 2gyr n SER 23 Ca 0.04 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.67 2gyr n SER 23 Cb 0.48 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.11 2gyr n SER 23 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2gyr n ASP 24 N 0.00 3.01 -4.71 -3.46 5.75 -1.26 -2.75 116.55 113.12 2gyr n ASP 24 Ca 0.00 -1.88 -0.42 0.00 -0.01 0.00 0.00 54.79 52.48 2gyr n ASP 24 Cb 0.00 -0.21 -0.03 0.00 -1.03 0.00 0.00 41.12 39.85 2gyr n ASP 24 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2gyr s GLU 25 N -1.19 4.26 -0.21 0.11 2.12 -1.26 -4.68 118.70 117.84 2gyr s GLU 25 Ca 0.29 2.23 -0.27 0.00 0.36 0.00 0.00 54.97 57.58 2gyr s GLU 25 Cb 0.17 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 31.34 2gyr s GLU 25 CO 0.23 -0.54 0.95 -0.51 -0.54 0.00 0.00 175.26 174.86 2gyr s LEU 26 N 1.22 4.12 0.20 2.70 1.43 -1.26 -2.73 118.68 124.36 2gyr s LEU 26 Ca 0.68 1.28 0.06 0.00 -1.03 0.00 0.00 54.13 55.11 2gyr s LEU 26 Cb -0.40 -3.41 -0.05 0.00 0.03 0.00 0.00 46.19 42.36 2gyr s LEU 26 CO 0.31 -0.57 -0.10 0.68 0.23 0.00 0.00 176.35 176.90 2gyr s VAL 27 N 2.85 1.42 0.39 -1.59 -7.23 -0.87 -4.86 120.40 110.51 2gyr s VAL 27 Ca 0.41 -2.12 -0.25 0.00 -1.81 0.00 0.00 61.98 58.21 2gyr s VAL 27 Cb -0.16 -2.08 -0.09 0.00 0.56 0.00 0.00 36.38 34.61 2gyr s VAL 27 CO 0.08 -0.56 1.10 -0.13 -0.31 0.00 0.00 175.10 175.28 2gyr s ARG 28 N -3.73 4.17 -0.20 4.82 1.81 -1.26 -1.33 118.95 123.22 2gyr s ARG 28 Ca 0.22 1.67 -0.04 0.00 -1.72 0.00 0.00 55.73 55.87 2gyr s ARG 28 Cb 0.02 -2.66 0.10 0.00 -0.45 0.00 0.00 34.95 31.96 2gyr s ARG 28 CO 0.06 -0.18 0.26 0.12 -0.68 0.00 0.00 175.30 174.88 2gyr s PHE 29 N -1.51 -0.42 -0.11 -0.53 5.36 -0.39 -4.92 117.98 115.47 2gyr s PHE 29 Ca 0.56 0.46 -0.03 0.00 -0.96 0.00 0.00 56.93 56.96 2gyr s PHE 29 Cb -0.26 -0.23 -0.03 0.00 -0.34 0.00 0.00 43.02 42.15 2gyr s PHE 29 CO 0.33 -0.60 0.01 1.03 -1.46 0.00 0.00 175.22 174.54 2gyr s ARG 30 N 2.39 3.28 0.16 10.12 0.52 -1.26 -2.87 118.95 131.29 2gyr s ARG 30 Ca 0.07 -0.40 -0.03 0.00 -0.52 0.00 0.00 55.73 54.85 2gyr s ARG 30 Cb -0.15 -2.90 -0.03 0.00 0.52 0.00 0.00 34.95 32.39 2gyr s ARG 30 CO -0.12 0.56 0.13 -0.59 0.02 0.00 0.00 175.30 175.30 2gyr s PHE 31 N -0.49 0.82 -0.13 -0.53 -0.12 -0.50 -0.85 117.98 116.18 2gyr s PHE 31 Ca 0.09 -1.16 -0.08 0.00 -0.05 0.00 0.00 56.93 55.73 2gyr s PHE 31 Cb -0.12 -0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 41.83 2gyr s PHE 31 CO 0.02 -0.60 0.15 0.00 -0.05 0.00 0.00 175.22 174.74 2gyr s SER 33 N -0.77 -0.26 0.00 0.00 0.15 -0.91 -4.85 113.70 107.06 2gyr s SER 33 Ca 0.14 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.51 2gyr s SER 33 Cb -0.12 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2gyr s SER 33 CO 0.03 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.23 2gyr n GLY 34 N -0.21 1.39 3.82 9.45 0.00 -1.26 0.45 105.19 118.83 2gyr n GLY 34 Ca -0.16 -2.13 -0.37 0.00 0.00 0.00 0.00 46.02 43.36 2gyr n GLY 34 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gyr s SER 35 N 0.00 6.52 0.00 1.61 0.15 -1.26 -3.94 113.70 116.79 2gyr s SER 35 Ca 0.00 0.62 0.10 0.00 0.70 0.00 0.00 55.95 57.38 2gyr s SER 35 Cb 0.00 -2.16 0.22 0.00 -1.71 0.00 0.00 66.02 62.38 2gyr s SER 35 CO 0.00 0.29 1.11 0.00 1.20 0.00 0.00 173.24 175.84 2gyr h ARG 37 N 1.99 0.00 -0.48 0.00 0.11 -1.93 0.40 114.38 114.46 2gyr h ARG 37 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2gyr h ARG 37 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 2gyr h ARG 37 CO 0.00 0.00 0.00 -2.13 0.10 0.00 0.00 179.97 177.94 2gyr n ARG 38 N -2.37 2.16 -1.62 0.08 0.63 -1.26 -3.56 116.66 110.72 2gyr n ARG 38 Ca -0.01 -1.42 -0.09 0.00 -0.92 0.00 0.00 57.85 55.41 2gyr n ARG 38 Cb 0.28 -1.45 0.08 0.00 0.45 0.00 0.00 32.46 31.82 2gyr n ARG 38 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2gyr n ALA 39 N 0.53 4.05 -2.66 5.13 0.00 0.14 -5.06 120.51 122.64 2gyr n ALA 39 Ca 0.13 -3.38 -0.43 0.00 0.00 0.00 0.00 53.44 49.76 2gyr n ALA 39 Cb 0.42 -0.44 -0.03 0.00 0.00 0.00 0.00 19.45 19.41 2gyr n ALA 39 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2gyr s ARG 40 N -3.20 4.27 1.02 0.00 1.81 -1.23 -4.70 118.95 116.92 2gyr s ARG 40 Ca 0.42 1.28 -0.14 0.00 -1.72 0.00 0.00 55.73 55.57 2gyr s ARG 40 Cb 0.38 -3.62 0.20 0.00 -0.45 0.00 0.00 34.95 31.46 2gyr s ARG 40 CO -0.02 -0.55 1.13 -1.54 -0.68 0.00 0.00 175.30 173.63 2gyr s SER 41 N 1.21 2.48 0.39 0.23 1.04 -1.26 -4.80 113.70 112.99 2gyr s SER 41 Ca 0.43 0.90 0.09 0.00 0.48 0.00 0.00 55.95 57.85 2gyr s SER 41 Cb -0.16 -1.39 0.81 0.00 0.10 0.00 0.00 66.02 65.38 2gyr s SER 41 CO 0.08 -3.19 1.94 -0.65 0.98 0.00 0.00 173.24 172.40 2gyr h PRO 42 N -1.94 0.27 -0.33 4.02 0.11 -2.00 -1.59 132.00 130.55 2gyr h PRO 42 Ca -0.50 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.45 2gyr h PRO 42 Cb 1.32 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2gyr h PRO 42 CO 0.52 0.36 -0.21 1.25 -0.21 0.00 0.00 178.00 179.71 2gyr h HIS 43 N 0.26 0.70 -0.12 0.65 -0.00 -1.99 -2.27 115.15 112.38 2gyr h HIS 43 Ca 0.06 -0.15 -0.12 0.00 -0.00 0.00 0.00 60.37 60.16 2gyr h HIS 43 Cb 0.31 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 2gyr h HIS 43 CO 0.01 0.79 -0.47 -0.44 -0.00 0.00 0.00 177.93 177.81 2gyr h ASP 44 N 0.55 0.32 -0.20 3.26 3.32 -1.61 -1.05 116.42 121.02 2gyr h ASP 44 Ca 0.08 -0.15 -0.14 0.00 0.02 0.00 0.00 57.03 56.84 2gyr h ASP 44 Cb 0.67 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 2gyr h ASP 44 CO 0.05 0.75 -0.39 -0.07 -1.72 0.00 0.00 179.24 177.86 2gyr h LEU 45 N 0.24 0.78 -0.32 1.55 3.38 -1.18 -2.44 115.31 117.32 2gyr h LEU 45 Ca 0.01 -0.35 -0.20 0.00 0.09 0.00 0.00 57.88 57.44 2gyr h LEU 45 Cb 0.92 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2gyr h LEU 45 CO 0.08 1.08 -0.83 0.28 0.09 0.00 0.00 178.44 179.14 2gyr h SER 46 N 0.61 0.38 -0.31 -0.43 0.02 -1.22 -2.01 113.55 110.59 2gyr h SER 46 Ca 0.05 -0.29 -0.04 0.00 -0.84 0.00 0.00 61.79 60.68 2gyr h SER 46 Cb 0.93 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 2gyr h SER 46 CO 0.08 1.05 0.04 0.25 -1.14 0.00 0.00 176.83 177.12 2gyr h LEU 47 N 0.19 0.50 -0.53 5.07 5.85 -1.15 0.10 115.31 125.34 2gyr h LEU 47 Ca -0.05 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.42 2gyr h LEU 47 Cb 1.43 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 2gyr h LEU 47 CO 0.13 0.65 0.33 0.00 -0.34 0.00 0.00 178.44 179.21 2gyr h ALA 48 N 0.87 0.68 -0.61 1.25 0.00 -1.44 -1.24 119.26 118.77 2gyr h ALA 48 Ca 0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2gyr h ALA 48 Cb 0.37 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2gyr h ALA 48 CO 0.01 0.05 0.32 1.03 0.00 0.00 0.00 179.25 180.65 2gyr h SER 49 N 0.65 0.78 -0.26 0.00 0.87 -1.10 0.55 113.55 115.05 2gyr h SER 49 Ca 0.21 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2gyr h SER 49 Cb -0.00 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2gyr h SER 49 CO -0.08 0.67 0.12 -0.07 -0.53 0.00 0.00 176.83 176.95 2gyr h LEU 50 N 0.84 0.34 -0.31 2.23 3.38 -0.30 -2.29 115.31 119.18 2gyr h LEU 50 Ca 0.21 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2gyr h LEU 50 Cb 0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2gyr h LEU 50 CO -0.03 0.36 0.06 -0.07 0.09 0.00 0.00 178.44 178.85 2gyr h LEU 51 N 0.28 0.49 0.00 1.67 3.38 -1.08 -0.35 115.31 119.70 2gyr h LEU 51 Ca 0.09 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2gyr h LEU 51 Cb 0.12 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2gyr h LEU 51 CO -0.01 0.61 0.00 0.61 0.09 0.00 0.00 178.44 179.74 2gyr n GLY 52 N -0.51 -0.30 0.10 0.83 0.00 0.19 -1.21 105.19 104.29 2gyr n GLY 52 Ca -0.02 -0.04 0.02 0.00 0.00 0.00 0.00 46.02 45.98 2gyr n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gyr n ALA 53 N -0.80 1.68 -2.44 4.61 0.00 -0.89 -4.99 120.51 117.69 2gyr n ALA 53 Ca 0.04 -1.07 -0.16 0.00 0.00 0.00 0.00 53.44 52.25 2gyr n ALA 53 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 19.45 19.32 2gyr n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gyr n GLY 54 N -0.38 -0.50 0.19 0.00 0.00 -0.35 -4.86 105.19 99.30 2gyr n GLY 54 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 2gyr n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gyr n ALA 55 N -2.16 3.12 -2.44 4.61 0.00 -0.17 -4.90 120.51 118.56 2gyr n ALA 55 Ca -0.19 -0.38 -0.30 0.00 0.00 0.00 0.00 53.44 52.58 2gyr n ALA 55 Cb 0.64 -1.15 -0.12 0.00 0.00 0.00 0.00 19.45 18.82 2gyr n ALA 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2gyr s LEU 56 N -2.59 2.54 -0.15 0.00 1.43 -1.25 -4.99 118.68 113.67 2gyr s LEU 56 Ca 0.22 -0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 52.64 2gyr s LEU 56 Cb 0.19 -1.45 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 2gyr s LEU 56 CO 0.55 0.21 0.27 -0.13 0.23 0.00 0.00 176.35 177.47 2gyr s ARG 57 N -1.78 4.16 0.23 1.70 1.81 -1.26 -5.00 118.95 118.81 2gyr s ARG 57 Ca 0.15 0.05 -0.31 0.00 -1.72 0.00 0.00 55.73 53.90 2gyr s ARG 57 Cb -0.10 -3.39 -0.12 0.00 -0.45 0.00 0.00 34.95 30.88 2gyr s ARG 57 CO 0.07 0.32 1.69 -2.14 -0.68 0.00 0.00 175.30 174.56 2gyr s PRO 58 N 0.24 4.12 0.70 3.54 0.02 -1.26 -4.98 135.00 137.37 2gyr s PRO 58 Ca 0.16 2.61 -0.10 0.00 0.02 0.00 0.00 61.00 63.68 2gyr s PRO 58 Cb -0.13 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.36 2gyr s PRO 58 CO 0.04 -0.73 1.07 -1.25 -0.33 0.00 0.00 177.00 175.80 2gyr s PRO 59 N 0.75 2.73 0.32 5.54 0.04 -1.26 -4.96 135.00 138.16 2gyr s PRO 59 Ca 0.72 0.32 -0.29 0.00 0.04 0.00 0.00 61.00 61.79 2gyr s PRO 59 Cb -0.49 -2.06 -0.12 0.00 0.04 0.00 0.00 34.50 31.87 2gyr s PRO 59 CO 0.36 -1.06 1.41 -0.35 0.04 0.00 0.00 177.00 177.40 2gyr n PRO 60 N -2.98 2.33 0.00 0.56 -0.04 -1.26 -4.61 135.00 129.00 2gyr n PRO 60 Ca 0.07 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 2gyr n PRO 60 Cb 0.58 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 2gyr n PRO 60 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gyr n GLY 61 N 1.23 -0.92 3.84 0.55 0.00 -1.26 -5.02 105.19 103.61 2gyr n GLY 61 Ca 0.06 -1.95 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 2gyr n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gyr s SER 62 N -4.00 6.82 0.09 1.61 1.04 -1.26 -5.01 113.70 112.98 2gyr s SER 62 Ca 0.00 1.35 -0.36 0.00 0.48 0.00 0.00 55.95 57.42 2gyr s SER 62 Cb 0.00 -2.40 -0.17 0.00 0.10 0.00 0.00 66.02 63.55 2gyr s SER 62 CO 0.00 -0.21 1.25 -1.14 0.98 0.00 0.00 173.24 174.12 2gyr n ARG 63 N -0.34 0.95 -1.78 4.02 0.63 -1.26 -4.85 116.66 114.03 2gyr n ARG 63 Ca 0.04 0.34 -0.42 0.00 -0.92 0.00 0.00 57.85 56.89 2gyr n ARG 63 Cb 0.53 -1.93 -0.03 0.00 0.45 0.00 0.00 32.46 31.48 2gyr n ARG 63 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2gyr s PRO 64 N 0.23 4.15 0.31 -0.14 0.04 -1.26 -4.92 135.00 133.41 2gyr s PRO 64 Ca 0.83 2.52 -0.29 0.00 0.04 0.00 0.00 61.00 64.11 2gyr s PRO 64 Cb -0.98 -3.46 -0.10 0.00 0.04 0.00 0.00 34.50 30.00 2gyr s PRO 64 CO 0.49 -0.78 1.15 0.14 0.04 0.00 0.00 177.00 178.04 2gyr s VAL 65 N 2.30 3.30 -1.67 -0.36 -7.23 -1.26 -4.93 120.40 110.55 2gyr s VAL 65 Ca 0.77 1.27 0.16 0.00 -1.81 0.00 0.00 61.98 62.37 2gyr s VAL 65 Cb -0.45 -3.79 0.52 0.00 0.56 0.00 0.00 36.38 33.21 2gyr s VAL 65 CO 0.34 0.27 1.41 -1.54 -0.31 0.00 0.00 175.10 175.28 2gyr n SER 66 N 0.92 3.30 -3.87 4.85 3.41 -1.26 -4.94 113.62 116.03 2gyr n SER 66 Ca 0.00 -2.15 -0.08 0.00 -0.26 0.00 0.00 58.87 56.38 2gyr n SER 66 Cb 0.45 -0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 2gyr n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gyr s GLN 67 N -1.48 1.60 0.65 4.33 -2.07 -1.26 -4.71 119.66 116.72 2gyr s GLN 67 Ca 0.38 -1.03 -0.14 0.00 -1.82 0.00 0.00 55.36 52.75 2gyr s GLN 67 Cb 0.22 0.54 -0.01 0.00 -1.09 0.00 0.00 33.01 32.67 2gyr s GLN 67 CO 0.22 -0.70 1.07 -2.14 -1.32 0.00 0.00 175.29 172.42 2gyr s PRO 68 N -3.94 3.04 -0.06 9.60 0.02 -1.26 -5.03 135.00 137.37 2gyr s PRO 68 Ca 0.14 1.16 -0.03 0.00 0.02 0.00 0.00 61.00 62.29 2gyr s PRO 68 Cb -0.03 -2.00 -0.04 0.00 0.02 0.00 0.00 34.50 32.46 2gyr s PRO 68 CO 0.05 -1.03 0.11 0.00 -0.33 0.00 0.00 177.00 175.80 2gyr s ARG 71 N 2.77 0.37 0.75 0.00 1.81 -0.86 -4.75 118.95 119.04 2gyr s ARG 71 Ca 0.66 -0.27 -0.15 0.00 -1.72 0.00 0.00 55.73 54.24 2gyr s ARG 71 Cb -0.32 0.15 0.05 0.00 -0.45 0.00 0.00 34.95 34.38 2gyr s ARG 71 CO 0.27 -0.08 1.23 -1.25 -0.68 0.00 0.00 175.30 174.79 2gyr s PRO 72 N -1.01 1.98 -0.02 3.54 0.04 -1.26 -1.64 135.00 136.63 2gyr s PRO 72 Ca -0.11 1.84 0.03 0.00 0.04 0.00 0.00 61.00 62.81 2gyr s PRO 72 Cb -0.06 -1.81 0.05 0.00 0.04 0.00 0.00 34.50 32.72 2gyr s PRO 72 CO 0.01 -1.98 0.98 0.25 0.04 0.00 0.00 177.00 176.30 2gyr n THR 73 N -2.80 0.36 0.00 1.26 -2.24 -0.28 -4.77 114.28 105.81 2gyr n THR 73 Ca 0.14 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2gyr n THR 73 Cb 0.50 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 2gyr n THR 73 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2gyr n ARG 74 N -0.27 0.00 -1.79 -0.78 0.63 -1.26 -4.90 116.66 108.29 2gyr n ARG 74 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 2gyr n ARG 74 Cb 0.66 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.57 2gyr n ARG 74 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2gyr n TYR 75 N -0.06 -0.12 -3.60 -0.14 4.01 -1.26 -2.35 117.16 113.64 2gyr n TYR 75 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 2gyr n TYR 75 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 2gyr n TYR 75 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 2gyr s GLU 76 N -1.87 0.75 0.99 -0.72 -1.05 -0.77 -4.76 118.70 111.27 2gyr s GLU 76 Ca 0.00 -0.34 -0.14 0.00 -0.15 0.00 0.00 54.97 54.34 2gyr s GLU 76 Cb 0.00 0.30 0.18 0.00 -0.44 0.00 0.00 34.13 34.18 2gyr s GLU 76 CO 0.00 -0.33 1.14 0.00 0.95 0.00 0.00 175.26 177.02 2gyr s ALA 77 N -2.92 1.41 -0.22 -0.84 0.00 -1.26 -1.90 121.76 116.03 2gyr s ALA 77 Ca 0.09 -0.64 -0.03 0.00 0.00 0.00 0.00 51.96 51.39 2gyr s ALA 77 Cb -0.00 -3.00 0.07 0.00 0.00 0.00 0.00 23.12 20.19 2gyr s ALA 77 CO -0.05 -2.67 0.06 0.08 0.00 0.00 0.00 175.76 173.18 2gyr s VAL 78 N -3.22 0.52 0.45 0.00 1.01 -0.18 -4.64 120.40 114.34 2gyr s VAL 78 Ca 0.66 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.96 2gyr s VAL 78 Cb -0.14 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.12 2gyr s VAL 78 CO 0.55 -0.34 0.64 -0.44 0.00 0.00 0.00 175.10 175.51 2gyr s SER 79 N 1.84 5.63 -0.16 3.32 0.01 -1.26 -2.66 113.70 120.43 2gyr s SER 79 Ca 0.02 -0.07 -0.35 0.00 1.31 0.00 0.00 55.95 56.87 2gyr s SER 79 Cb -0.17 -1.06 0.14 0.00 0.21 0.00 0.00 66.02 65.15 2gyr s SER 79 CO -0.14 -0.81 1.32 0.72 0.41 0.00 0.00 173.24 174.75 2gyr s PHE 80 N -2.50 -0.05 -0.18 2.43 -0.12 -1.05 -4.92 117.98 111.58 2gyr s PHE 80 Ca 0.52 0.01 -0.14 0.00 -0.05 0.00 0.00 56.93 57.28 2gyr s PHE 80 Cb -0.10 0.52 -0.05 0.00 -0.63 0.00 0.00 43.02 42.76 2gyr s PHE 80 CO 0.36 -0.13 0.29 -1.64 -0.05 0.00 0.00 175.22 174.04 2gyr s MET 81 N -2.23 4.21 0.44 1.99 -1.94 -1.26 -0.98 119.30 119.52 2gyr s MET 81 Ca 0.12 0.05 -0.07 0.00 -1.71 0.00 0.00 55.69 54.07 2gyr s MET 81 Cb 0.02 -3.46 0.11 0.00 2.01 0.00 0.00 34.83 33.50 2gyr s MET 81 CO -0.04 0.16 0.40 -0.40 -0.01 0.00 0.00 175.02 175.13 2gyr n ASP 82 N 3.86 -1.30 -0.03 3.03 5.75 0.67 -4.65 116.55 123.88 2gyr n ASP 82 Ca -0.12 -0.77 -0.05 0.00 -0.01 0.00 0.00 54.79 53.84 2gyr n ASP 82 Cb 0.52 -0.36 0.15 0.00 -1.03 0.00 0.00 41.12 40.40 2gyr n ASP 82 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 2gyr h VAL 83 N -1.90 1.27 0.00 2.12 -1.51 -1.52 -1.53 116.25 113.18 2gyr h VAL 83 Ca -0.15 -1.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.04 2gyr h VAL 83 Cb 0.45 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 2gyr h VAL 83 CO 0.10 0.42 0.00 -3.20 -1.23 0.00 0.00 177.57 173.66 2gyr n ASN 84 N -4.12 0.00 -2.01 4.19 5.15 -1.26 -4.86 115.26 112.34 2gyr n ASN 84 Ca -0.00 -1.53 -0.15 0.00 -0.60 0.00 0.00 54.58 52.30 2gyr n ASN 84 Cb 0.41 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.68 2gyr n ASN 84 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2gyr n SER 85 N -0.69 -4.57 -4.83 1.20 3.41 -0.58 -5.04 113.62 102.52 2gyr n SER 85 Ca 0.09 -0.16 -0.33 0.00 -0.26 0.00 0.00 58.87 58.21 2gyr n SER 85 Cb 0.04 -3.48 -0.06 0.00 -0.26 0.00 0.00 64.21 60.45 2gyr n SER 85 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2gyr s THR 86 N -2.92 5.01 0.32 6.66 2.01 -1.26 -4.76 115.64 120.70 2gyr s THR 86 Ca 0.17 -0.35 -0.28 0.00 0.31 0.00 0.00 61.69 61.54 2gyr s THR 86 Cb -0.07 -3.33 -0.09 0.00 0.01 0.00 0.00 72.50 69.01 2gyr s THR 86 CO 0.21 0.31 1.16 0.86 -0.69 0.00 0.00 174.62 176.47 2gyr s TRP 87 N -1.28 3.34 0.10 4.92 -0.00 -1.26 -0.23 118.94 124.53 2gyr s TRP 87 Ca 0.26 1.60 0.01 0.00 -0.00 0.00 0.00 56.10 57.97 2gyr s TRP 87 Cb -0.12 -3.39 -0.04 0.00 -0.00 0.00 0.00 33.47 29.92 2gyr s TRP 87 CO 0.17 -1.00 -0.05 1.03 -0.00 0.00 0.00 176.95 177.10 2gyr s ARG 88 N -1.75 0.85 -0.01 5.86 1.81 -0.15 -4.88 118.95 120.67 2gyr s ARG 88 Ca 0.49 -1.35 -0.08 0.00 -1.72 0.00 0.00 55.73 53.06 2gyr s ARG 88 Cb -0.33 -0.16 0.01 0.00 -0.45 0.00 0.00 34.95 34.02 2gyr s ARG 88 CO 0.43 -0.05 0.16 -0.08 -0.68 0.00 0.00 175.30 175.08 2gyr s THR 89 N -3.67 0.07 -0.11 0.02 -1.32 -1.26 -2.53 115.64 106.83 2gyr s THR 89 Ca 0.13 -0.56 -0.03 0.00 -1.21 0.00 0.00 61.69 60.02 2gyr s THR 89 Cb 0.06 -0.43 0.05 0.00 -1.51 0.00 0.00 72.50 70.67 2gyr s THR 89 CO -0.04 -0.31 0.07 -0.69 -2.21 0.00 0.00 174.62 171.44 2gyr s VAL 90 N -1.15 -0.01 0.82 5.08 1.01 -1.09 -4.96 120.40 120.10 2gyr s VAL 90 Ca -0.12 0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 2gyr s VAL 90 Cb -0.06 -0.44 0.08 0.00 0.00 0.00 0.00 36.38 35.96 2gyr s VAL 90 CO 0.02 -0.05 1.09 -1.81 0.00 0.00 0.00 175.10 174.35 2gyr s ASP 91 N 2.11 4.17 -0.43 3.32 1.01 -1.26 -1.01 116.67 124.59 2gyr s ASP 91 Ca 0.03 1.62 0.00 0.00 0.71 0.00 0.00 52.55 54.91 2gyr s ASP 91 Cb -0.14 -2.33 0.00 0.00 1.01 0.00 0.00 42.92 41.46 2gyr s ASP 91 CO -0.06 -2.22 0.00 0.54 0.21 0.00 0.00 175.17 173.64 2gyr n ARG 92 N -3.62 -1.41 0.06 8.23 1.74 -1.09 -4.79 116.66 115.78 2gyr n ARG 92 Ca 0.08 0.24 -0.11 0.00 -0.77 0.00 0.00 57.85 57.28 2gyr n ARG 92 Cb 0.54 -4.40 -0.01 0.00 -1.02 0.00 0.00 32.46 27.57 2gyr n ARG 92 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2gyr h LEU 93 N 0.00 0.48 -8.78 0.55 3.38 -1.51 -3.42 115.31 106.00 2gyr h LEU 93 Ca -0.09 -0.35 -0.66 0.00 0.09 0.00 0.00 57.88 56.87 2gyr h LEU 93 Cb 0.43 -0.14 -0.24 0.00 0.09 0.00 0.00 40.66 40.79 2gyr h LEU 93 CO 0.12 1.13 -0.74 -0.55 0.09 0.00 0.00 178.44 178.50 2gyr s SER 94 N -7.02 4.26 0.69 -0.43 0.15 -1.06 -4.91 113.70 105.39 2gyr s SER 94 Ca -0.05 -0.22 -0.13 0.00 0.70 0.00 0.00 55.95 56.24 2gyr s SER 94 Cb 0.10 -1.44 0.01 0.00 -1.71 0.00 0.00 66.02 62.98 2gyr s SER 94 CO 0.85 0.23 1.09 0.00 1.20 0.00 0.00 173.24 176.61 2gyr s ALA 95 N -0.01 2.47 0.00 5.45 0.00 -0.03 -1.84 121.76 127.80 2gyr s ALA 95 Ca -0.02 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.32 2gyr s ALA 95 Cb -0.14 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2gyr s ALA 95 CO 0.04 -1.34 0.00 0.25 0.00 0.00 0.00 175.76 174.70 2gyr n THR 96 N -2.77 0.00 -3.78 0.00 -2.24 -0.99 -4.49 114.28 100.00 2gyr n THR 96 Ca 0.09 -0.14 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 2gyr n THR 96 Cb 0.53 0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 69.43 2gyr n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gyr s ALA 97 N -0.50 -0.71 -0.04 6.98 0.00 -1.26 -5.01 121.76 121.22 2gyr s ALA 97 Ca 0.00 0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.51 2gyr s ALA 97 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 2gyr s ALA 97 CO 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 175.76 175.38 2gyr s GLY 99 N -0.03 0.47 0.00 0.00 0.00 -0.65 -4.94 107.32 102.17 2gyr s GLY 99 Ca -0.03 -0.68 0.29 0.00 0.00 0.00 0.00 44.72 44.29 2gyr s GLY 99 CO 0.02 -0.72 1.81 0.00 0.00 0.00 0.00 173.10 174.21