#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 6.82 1.20 0.29 0.00 1.70 -0.01 -4.93 118.95 124.02 2gyr s ARG 6 Ca 0.93 -1.25 -0.29 0.00 -0.47 0.00 0.00 55.73 54.64 2gyr s ARG 6 Cb -0.25 0.37 -0.10 0.00 -0.57 0.00 0.00 34.95 34.41 2gyr s ARG 6 CO 0.31 -0.44 1.17 -1.17 -1.08 0.00 0.00 175.30 174.09 2gyr s LEU 7 N -3.00 4.51 0.24 -1.89 2.96 -1.26 -2.65 118.68 117.58 2gyr s LEU 7 Ca 0.21 2.40 0.02 0.00 -0.22 0.00 0.00 54.13 56.55 2gyr s LEU 7 Cb 0.03 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 2gyr s LEU 7 CO 0.03 -0.28 0.04 -0.13 -1.32 0.00 0.00 176.35 174.69 2gyr s ARG 8 N -1.48 1.37 0.01 1.98 1.81 0.29 -4.94 118.95 117.98 2gyr s ARG 8 Ca 0.46 -1.71 -0.29 0.00 -1.72 0.00 0.00 55.73 52.47 2gyr s ARG 8 Cb -0.35 -0.46 0.11 0.00 -0.45 0.00 0.00 34.95 33.80 2gyr s ARG 8 CO 0.45 -0.19 1.18 -1.54 -0.68 0.00 0.00 175.30 174.52 2gyr s SER 9 N -3.31 -0.11 0.06 0.23 1.04 -1.26 0.19 113.70 110.55 2gyr s SER 9 Ca 0.32 -0.19 -0.26 0.00 0.48 0.00 0.00 55.95 56.30 2gyr s SER 9 Cb 0.07 0.25 0.09 0.00 0.10 0.00 0.00 66.02 66.53 2gyr s SER 9 CO 0.11 -0.46 1.18 0.00 0.98 0.00 0.00 173.24 175.04 2gyr s GLN 10 N -2.67 0.76 -0.19 4.02 -2.07 -1.17 -5.02 119.66 113.33 2gyr s GLN 10 Ca 0.13 -0.47 -0.10 0.00 -1.82 0.00 0.00 55.36 53.10 2gyr s GLN 10 Cb 0.02 0.22 -0.05 0.00 -1.09 0.00 0.00 33.01 32.12 2gyr s GLN 10 CO -0.03 -0.35 0.14 -0.51 -1.32 0.00 0.00 175.29 173.22 2gyr s LEU 11 N -3.43 4.23 0.05 2.60 1.43 -1.26 -1.97 118.68 120.33 2gyr s LEU 11 Ca 0.22 0.28 0.02 0.00 -1.03 0.00 0.00 54.13 53.62 2gyr s LEU 11 Cb -0.00 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 2gyr s LEU 11 CO 0.01 0.20 -0.07 0.68 0.23 0.00 0.00 176.35 177.40 2gyr s VAL 12 N 0.20 0.48 0.44 -1.59 -7.23 -0.65 -4.89 120.40 107.16 2gyr s VAL 12 Ca 0.09 -1.19 -0.25 0.00 -1.81 0.00 0.00 61.98 58.83 2gyr s VAL 12 Cb -0.11 -0.72 -0.08 0.00 0.56 0.00 0.00 36.38 36.02 2gyr s VAL 12 CO -0.01 -0.48 1.34 -2.84 -0.31 0.00 0.00 175.10 172.80 2gyr s PRO 13 N -1.93 3.76 0.29 4.82 0.02 -1.26 -1.93 135.00 138.77 2gyr s PRO 13 Ca -0.08 2.23 0.13 0.00 0.02 0.00 0.00 61.00 63.30 2gyr s PRO 13 Cb -0.07 -2.64 0.40 0.00 0.02 0.00 0.00 34.50 32.20 2gyr s PRO 13 CO -0.01 -0.69 1.62 -0.39 -0.33 0.00 0.00 177.00 177.20 2gyr h VAL 14 N 2.25 1.29 0.00 3.83 -1.51 -1.83 -2.71 116.25 117.57 2gyr h VAL 14 Ca -0.50 -2.04 0.00 0.00 -1.23 0.00 0.00 66.70 62.93 2gyr h VAL 14 Cb 1.26 2.14 0.00 0.00 -2.13 0.00 0.00 31.29 32.56 2gyr h VAL 14 CO 0.61 0.56 0.02 -0.09 -1.23 0.00 0.00 177.57 177.44 2gyr h ARG 15 N 0.00 0.00 0.00 5.19 9.65 -1.86 0.34 114.38 127.69 2gyr h ARG 15 Ca -0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2gyr h ARG 15 Cb 1.09 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.67 2gyr h ARG 15 CO 0.07 0.00 -0.65 0.00 2.80 0.00 0.00 179.97 182.20 2gyr n ALA 16 N -1.84 3.90 0.94 2.80 0.00 -1.02 -3.84 120.51 121.44 2gyr n ALA 16 Ca -0.02 -0.42 0.09 0.00 0.00 0.00 0.00 53.44 53.09 2gyr n ALA 16 Cb 0.06 -1.02 0.48 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.50 0.00 -1.66 0.00 4.77 0.12 -4.85 117.00 113.88 2gyr n LEU 17 Ca 0.05 0.17 -0.18 0.00 -0.03 0.00 0.00 56.01 56.02 2gyr n LEU 17 Cb 0.33 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 2gyr n LEU 17 CO 0.37 -0.08 -0.20 0.61 -1.33 0.00 0.00 177.39 176.77 2gyr n GLY 18 N 0.16 0.96 1.78 -0.72 0.00 -1.25 -4.86 105.19 101.27 2gyr n GLY 18 Ca 0.10 -0.13 0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.28 5.33 -1.48 0.99 4.77 -1.26 -4.88 117.00 118.17 2gyr n LEU 19 Ca -0.20 -2.73 -0.18 0.00 -0.03 0.00 0.00 56.01 52.87 2gyr n LEU 19 Cb 0.62 -0.69 -0.07 0.00 -2.33 0.00 0.00 43.42 40.96 2gyr n LEU 19 CO 0.27 0.65 -0.18 0.61 -1.33 0.00 0.00 177.39 177.40 2gyr n GLY 20 N 0.30 1.56 3.89 -0.72 0.00 -1.26 -4.97 105.19 103.99 2gyr n GLY 20 Ca 0.29 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.71 2.83 -0.17 1.61 3.76 -1.26 -5.11 115.29 114.23 2gyr s HIS 21 Ca 0.00 -0.39 -0.05 0.00 -0.15 0.00 0.00 55.06 54.47 2gyr s HIS 21 Cb 0.00 -2.05 0.06 0.00 1.11 0.00 0.00 32.58 31.70 2gyr s HIS 21 CO 0.00 -0.04 0.09 1.03 -0.85 0.00 0.00 174.74 174.97 2gyr s ARG 22 N -4.11 0.09 0.03 1.40 0.52 -1.26 -3.94 118.95 111.68 2gyr s ARG 22 Ca 0.46 -0.10 0.08 0.00 -0.52 0.00 0.00 55.73 55.65 2gyr s ARG 22 Cb -0.06 -1.84 -0.03 0.00 0.52 0.00 0.00 34.95 33.55 2gyr s ARG 22 CO 0.28 -0.67 -0.24 0.45 0.02 0.00 0.00 175.30 175.15 2gyr s SER 23 N 2.13 2.81 -0.28 0.23 0.15 -1.26 -2.92 113.70 114.56 2gyr s SER 23 Ca 0.02 -0.53 0.01 0.00 0.70 0.00 0.00 55.95 56.15 2gyr s SER 23 Cb -0.16 -0.26 0.34 0.00 -1.71 0.00 0.00 66.02 64.23 2gyr s SER 23 CO -0.09 0.23 1.64 0.47 1.20 0.00 0.00 173.24 176.69 2gyr n ASP 24 N 1.94 4.25 -3.87 5.45 10.43 -1.26 -4.66 116.55 128.82 2gyr n ASP 24 Ca -0.17 -2.97 -0.12 0.00 2.57 0.00 0.00 54.79 54.11 2gyr n ASP 24 Cb 0.52 -0.78 -0.13 0.00 1.84 0.00 0.00 41.12 42.57 2gyr n ASP 24 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 2gyr s GLU 25 N -1.91 0.09 -0.21 -1.24 2.12 -1.26 -5.04 118.70 111.24 2gyr s GLU 25 Ca 0.33 -0.05 -0.09 0.00 0.36 0.00 0.00 54.97 55.53 2gyr s GLU 25 Cb 0.27 0.04 -0.04 0.00 0.26 0.00 0.00 34.13 34.65 2gyr s GLU 25 CO 0.04 -0.01 0.10 -0.51 -0.54 0.00 0.00 175.26 174.34 2gyr s LEU 26 N -0.21 3.95 0.21 2.70 1.43 -1.26 -3.55 118.68 121.95 2gyr s LEU 26 Ca -0.02 0.09 0.11 0.00 -1.03 0.00 0.00 54.13 53.28 2gyr s LEU 26 Cb -0.02 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 2gyr s LEU 26 CO -0.00 0.13 -0.18 0.68 0.23 0.00 0.00 176.35 177.21 2gyr s VAL 27 N 0.66 2.69 0.01 -1.59 -7.23 -0.81 -4.85 120.40 109.27 2gyr s VAL 27 Ca 0.05 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.92 2gyr s VAL 27 Cb -0.13 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 2gyr s VAL 27 CO 0.01 -0.19 1.07 -0.13 -0.31 0.00 0.00 175.10 175.55 2gyr s ARG 28 N -2.96 4.50 -0.19 4.82 1.81 -1.26 -1.63 118.95 124.03 2gyr s ARG 28 Ca 0.25 1.55 -0.03 0.00 -1.72 0.00 0.00 55.73 55.77 2gyr s ARG 28 Cb -0.07 -3.44 0.06 0.00 -0.45 0.00 0.00 34.95 31.05 2gyr s ARG 28 CO 0.13 -0.16 0.05 0.12 -0.68 0.00 0.00 175.30 174.75 2gyr s PHE 29 N 1.18 0.87 0.07 -0.53 5.36 -0.83 -4.98 117.98 119.13 2gyr s PHE 29 Ca 0.54 -0.75 -0.05 0.00 -0.96 0.00 0.00 56.93 55.71 2gyr s PHE 29 Cb -0.24 -0.96 -0.05 0.00 -0.34 0.00 0.00 43.02 41.43 2gyr s PHE 29 CO 0.27 -0.59 0.31 1.03 -1.46 0.00 0.00 175.22 174.78 2gyr s ARG 30 N 1.91 3.58 0.17 10.12 0.52 -1.26 -3.02 118.95 130.97 2gyr s ARG 30 Ca -0.00 -0.13 -0.12 0.00 -0.52 0.00 0.00 55.73 54.95 2gyr s ARG 30 Cb -0.17 -2.98 0.01 0.00 0.52 0.00 0.00 34.95 32.33 2gyr s ARG 30 CO -0.08 0.57 0.38 -0.59 0.02 0.00 0.00 175.30 175.59 2gyr s PHE 31 N -1.48 0.17 -0.14 -0.53 -0.12 0.13 -1.81 117.98 114.20 2gyr s PHE 31 Ca 0.34 -0.53 -0.06 0.00 -0.05 0.00 0.00 56.93 56.64 2gyr s PHE 31 Cb -0.13 0.13 -0.04 0.00 -0.63 0.00 0.00 43.02 42.35 2gyr s PHE 31 CO 0.22 -0.79 0.06 0.00 -0.05 0.00 0.00 175.22 174.66 2gyr s SER 33 N -0.38 -0.29 0.00 0.00 0.15 -1.09 -4.82 113.70 107.28 2gyr s SER 33 Ca 0.09 -0.23 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 64.68 2gyr s SER 33 CO 0.02 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.22 2gyr n GLY 34 N -0.15 3.24 3.81 9.45 0.00 -1.26 -0.83 105.19 119.45 2gyr n GLY 34 Ca -0.16 -1.86 -0.39 0.00 0.00 0.00 0.00 46.02 43.61 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 7.05 0.00 1.61 0.15 -1.26 -4.41 113.70 116.84 2gyr s SER 35 Ca 0.00 1.25 0.03 0.00 0.70 0.00 0.00 55.95 57.93 2gyr s SER 35 Cb 0.00 -2.35 0.02 0.00 -1.71 0.00 0.00 66.02 61.98 2gyr s SER 35 CO 0.00 0.27 0.61 0.00 1.20 0.00 0.00 173.24 175.32 2gyr h ARG 37 N 0.54 0.00 0.00 0.00 0.11 -1.93 1.57 114.38 114.68 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 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 2gyr h ARG 37 CO 0.00 0.00 0.00 0.54 0.10 0.00 0.00 179.97 180.61 2gyr n ARG 38 N -3.16 0.31 -0.35 0.08 1.74 -1.26 -3.18 116.66 110.84 2gyr n ARG 38 Ca 0.11 0.03 0.11 0.00 -0.77 0.00 0.00 57.85 57.33 2gyr n ARG 38 Cb 1.06 -1.50 0.30 0.00 -1.02 0.00 0.00 32.46 31.30 2gyr n ARG 38 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2gyr n ALA 39 N -1.33 2.39 -1.70 7.54 0.00 0.54 -4.99 120.51 122.96 2gyr n ALA 39 Ca 0.12 -1.21 -0.44 0.00 0.00 0.00 0.00 53.44 51.91 2gyr n ALA 39 Cb 0.24 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 2gyr n ALA 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2gyr n ARG 40 N 1.52 2.25 -1.88 0.00 1.74 -1.19 -4.77 116.66 114.33 2gyr n ARG 40 Ca 0.23 0.80 -0.12 0.00 -0.77 0.00 0.00 57.85 57.99 2gyr n ARG 40 Cb 0.58 -2.49 0.06 0.00 -1.02 0.00 0.00 32.46 29.59 2gyr n ARG 40 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2gyr n SER 41 N 2.06 0.94 -0.07 0.55 3.41 -1.26 -4.90 113.62 114.35 2gyr n SER 41 Ca 0.10 -1.74 -0.05 0.00 -0.26 0.00 0.00 58.87 56.92 2gyr n SER 41 Cb 0.33 -0.32 0.15 0.00 -0.26 0.00 0.00 64.21 64.11 2gyr n SER 41 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2gyr h PRO 42 N 0.00 0.71 -0.09 4.33 0.11 -2.00 -1.79 132.00 133.26 2gyr h PRO 42 Ca -0.18 -0.23 -0.08 0.00 0.11 0.00 0.00 66.00 65.62 2gyr h PRO 42 Cb 0.71 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 2gyr h PRO 42 CO 0.21 0.81 -0.29 1.25 -0.21 0.00 0.00 178.00 179.77 2gyr h HIS 43 N 0.64 0.19 -0.06 0.65 -0.00 -2.00 -2.42 115.15 112.15 2gyr h HIS 43 Ca 0.11 -0.04 -0.17 0.00 -0.00 0.00 0.00 60.37 60.28 2gyr h HIS 43 Cb 0.59 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.94 2gyr h HIS 43 CO 0.03 0.45 -0.69 -0.44 -0.00 0.00 0.00 177.93 177.28 2gyr h ASP 44 N 0.15 0.32 0.16 3.26 3.32 -1.73 -2.19 116.42 119.71 2gyr h ASP 44 Ca 0.02 -0.20 -0.18 0.00 0.02 0.00 0.00 57.03 56.69 2gyr h ASP 44 Cb 0.60 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 2gyr h ASP 44 CO 0.04 0.91 -0.67 -0.07 -1.72 0.00 0.00 179.24 177.74 2gyr h LEU 45 N 0.19 0.55 -0.07 1.55 3.38 -1.05 -2.76 115.31 117.09 2gyr h LEU 45 Ca -0.02 -0.33 -0.25 0.00 0.09 0.00 0.00 57.88 57.37 2gyr h LEU 45 Cb 1.24 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 41.85 2gyr h LEU 45 CO 0.11 1.06 -0.99 0.28 0.09 0.00 0.00 178.44 178.99 2gyr h SER 46 N 0.34 0.82 -0.34 -0.43 0.02 -1.44 -1.80 113.55 110.73 2gyr h SER 46 Ca -0.02 -0.64 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 2gyr h SER 46 Cb 1.23 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 2gyr h SER 46 CO 0.12 1.44 0.21 0.25 -1.14 0.00 0.00 176.83 177.71 2gyr h LEU 47 N 0.37 0.40 -0.79 5.07 5.85 -1.44 0.93 115.31 125.71 2gyr h LEU 47 Ca -0.11 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 2gyr h LEU 47 Cb 1.63 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.52 2gyr h LEU 47 CO 0.19 0.32 0.41 0.00 -0.34 0.00 0.00 178.44 179.01 2gyr h ALA 48 N 1.10 1.01 -0.62 1.25 0.00 -1.51 0.32 119.26 120.82 2gyr h ALA 48 Ca 0.12 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2gyr h ALA 48 Cb -0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2gyr h ALA 48 CO -0.02 0.54 0.17 1.03 0.00 0.00 0.00 179.25 180.97 2gyr h SER 49 N 1.10 0.92 0.01 0.00 0.87 -0.94 0.97 113.55 116.47 2gyr h SER 49 Ca 0.27 -0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2gyr h SER 49 Cb 0.07 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 2gyr h SER 49 CO -0.04 0.90 -0.01 -0.07 -0.53 0.00 0.00 176.83 177.08 2gyr h LEU 50 N 0.89 -0.02 -1.57 2.23 3.38 -0.06 -1.73 115.31 118.43 2gyr h LEU 50 Ca 0.20 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2gyr h LEU 50 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2gyr h LEU 50 CO -0.00 0.16 -0.06 -0.07 0.09 0.00 0.00 178.44 178.56 2gyr h LEU 51 N -0.19 0.18 -0.81 1.67 3.38 -0.20 -1.25 115.31 118.09 2gyr h LEU 51 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2gyr h LEU 51 Cb 0.19 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2gyr h LEU 51 CO 0.00 0.28 0.00 1.23 0.09 0.00 0.00 178.44 180.04 2gyr h GLY 52 N 0.55 0.00 -0.48 0.83 0.00 0.16 -3.02 103.07 101.11 2gyr h GLY 52 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2gyr h GLY 52 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 2gyr n ALA 53 N -1.91 2.32 -2.52 3.60 0.00 -0.71 -4.98 120.51 116.30 2gyr n ALA 53 Ca 0.02 -0.76 -0.18 0.00 0.00 0.00 0.00 53.44 52.52 2gyr n ALA 53 Cb 0.31 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 0.15 -0.35 0.17 0.00 0.00 -0.58 -4.87 105.19 99.72 2gyr n GLY 54 Ca 0.04 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.09 2gyr n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gyr h ALA 55 N 0.84 1.00 -3.20 4.61 0.00 -1.57 -3.45 119.26 117.50 2gyr h ALA 55 Ca -0.43 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.83 2gyr h ALA 55 Cb 1.31 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.95 2gyr h ALA 55 CO 0.49 0.00 -0.59 -0.51 0.00 0.00 0.00 179.25 178.64 2gyr s LEU 56 N -5.27 3.74 0.38 0.00 1.43 -1.26 -5.06 118.68 112.65 2gyr s LEU 56 Ca 0.07 0.16 -0.23 0.00 -1.03 0.00 0.00 54.13 53.10 2gyr s LEU 56 Cb 0.09 -1.89 -0.10 0.00 0.03 0.00 0.00 46.19 44.31 2gyr s LEU 56 CO 0.58 0.31 0.95 -0.13 0.23 0.00 0.00 176.35 178.29 2gyr s ARG 57 N -0.47 4.38 -0.17 1.70 1.81 -1.26 -4.97 118.95 119.96 2gyr s ARG 57 Ca 0.09 1.21 -0.29 0.00 -1.72 0.00 0.00 55.73 55.02 2gyr s ARG 57 Cb -0.12 -2.45 -0.04 0.00 -0.45 0.00 0.00 34.95 31.90 2gyr s ARG 57 CO 0.02 0.10 1.66 -2.14 -0.68 0.00 0.00 175.30 174.26 2gyr s PRO 58 N -2.69 3.87 0.56 3.54 0.02 -1.26 -4.98 135.00 134.05 2gyr s PRO 58 Ca 0.57 1.83 -0.19 0.00 0.02 0.00 0.00 61.00 63.23 2gyr s PRO 58 Cb -0.13 -4.04 -0.05 0.00 0.02 0.00 0.00 34.50 30.30 2gyr s PRO 58 CO 0.18 -1.22 1.12 -1.25 -0.33 0.00 0.00 177.00 175.51 2gyr s PRO 59 N 4.59 3.28 0.20 5.54 0.04 -1.26 -4.91 135.00 142.48 2gyr s PRO 59 Ca 0.74 1.57 -0.32 0.00 0.04 0.00 0.00 61.00 63.02 2gyr s PRO 59 Cb -0.28 -2.00 -0.14 0.00 0.04 0.00 0.00 34.50 32.12 2gyr s PRO 59 CO 0.30 -0.90 1.37 -0.35 0.04 0.00 0.00 177.00 177.46 2gyr n PRO 60 N -1.47 1.79 0.00 0.56 -0.04 -1.26 -4.70 135.00 129.87 2gyr n PRO 60 Ca 0.11 0.64 0.00 0.00 -0.04 0.00 0.00 63.50 64.21 2gyr n PRO 60 Cb 0.51 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 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 2.36 -1.77 3.72 0.55 0.00 -1.26 -5.00 105.19 103.78 2gyr n GLY 61 Ca 0.14 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 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 4.21 0.75 1.61 1.04 -1.26 -4.95 113.70 111.10 2gyr s SER 62 Ca 0.00 2.48 -0.15 0.00 0.48 0.00 0.00 55.95 58.76 2gyr s SER 62 Cb 0.00 -2.60 0.04 0.00 0.10 0.00 0.00 66.02 63.55 2gyr s SER 62 CO 0.00 -2.26 1.10 -1.14 0.98 0.00 0.00 173.24 171.92 2gyr n ARG 63 N -2.51 0.45 -2.78 4.02 3.00 -1.26 -4.93 116.66 112.66 2gyr n ARG 63 Ca 0.15 0.22 -0.33 0.00 -0.00 0.00 0.00 57.85 57.89 2gyr n ARG 63 Cb 0.49 -2.35 -0.06 0.00 0.00 0.00 0.00 32.46 30.54 2gyr n ARG 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2gyr s PRO 64 N -3.66 4.15 -0.11 -0.14 0.04 -1.26 -5.03 135.00 128.99 2gyr s PRO 64 Ca 0.74 1.03 -0.12 0.00 0.04 0.00 0.00 61.00 62.70 2gyr s PRO 64 Cb -0.33 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.97 2gyr s PRO 64 CO 0.49 -0.05 0.27 0.14 0.04 0.00 0.00 177.00 177.89 2gyr s VAL 65 N -2.24 5.30 -0.51 -0.36 -7.23 -1.26 -5.00 120.40 109.09 2gyr s VAL 65 Ca 0.60 0.51 0.02 0.00 -1.81 0.00 0.00 61.98 61.31 2gyr s VAL 65 Cb -0.09 -3.58 0.61 0.00 0.56 0.00 0.00 36.38 33.88 2gyr s VAL 65 CO 0.17 0.50 1.95 -1.54 -0.31 0.00 0.00 175.10 175.88 2gyr n SER 66 N 2.68 4.81 -3.58 4.85 3.41 -1.26 -4.95 113.62 119.58 2gyr n SER 66 Ca -0.15 -3.66 -0.05 0.00 -0.26 0.00 0.00 58.87 54.75 2gyr n SER 66 Cb 0.53 -0.88 -0.02 0.00 -0.26 0.00 0.00 64.21 63.58 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 -3.44 0.70 0.80 4.33 -2.07 -1.26 -4.74 119.66 113.99 2gyr s GLN 67 Ca 0.59 -0.30 -0.12 0.00 -1.82 0.00 0.00 55.36 53.71 2gyr s GLN 67 Cb 0.49 0.29 0.08 0.00 -1.09 0.00 0.00 33.01 32.78 2gyr s GLN 67 CO 0.08 -0.31 1.14 -2.14 -1.32 0.00 0.00 175.29 172.74 2gyr s PRO 68 N -2.89 1.82 -0.10 9.60 0.02 -1.26 -5.01 135.00 137.18 2gyr s PRO 68 Ca 0.08 1.47 -0.03 0.00 0.02 0.00 0.00 61.00 62.55 2gyr s PRO 68 Cb -0.00 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 32.66 2gyr s PRO 68 CO -0.05 -2.02 0.01 0.00 -0.33 0.00 0.00 177.00 174.60 2gyr s ARG 71 N 5.23 0.56 0.38 0.00 1.81 -0.75 -4.62 118.95 121.57 2gyr s ARG 71 Ca 0.73 -0.77 -0.27 0.00 -1.72 0.00 0.00 55.73 53.70 2gyr s ARG 71 Cb -0.21 -0.37 -0.09 0.00 -0.45 0.00 0.00 34.95 33.83 2gyr s ARG 71 CO 0.32 0.07 1.33 -1.25 -0.68 0.00 0.00 175.30 175.10 2gyr s PRO 72 N -1.56 4.08 -0.05 3.54 0.04 -1.26 -1.72 135.00 138.06 2gyr s PRO 72 Ca -0.09 2.24 0.07 0.00 0.04 0.00 0.00 61.00 63.26 2gyr s PRO 72 Cb -0.10 -2.87 -0.10 0.00 0.04 0.00 0.00 34.50 31.48 2gyr s PRO 72 CO 0.01 -0.43 0.07 0.25 0.04 0.00 0.00 177.00 176.94 2gyr n THR 73 N 0.34 0.30 -4.25 1.26 -2.24 -0.32 -4.86 114.28 104.52 2gyr n THR 73 Ca 0.02 -0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.37 2gyr n THR 73 Cb 0.42 -0.41 -0.11 0.00 -2.10 0.00 0.00 70.33 68.13 2gyr n THR 73 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2gyr s ARG 74 N -2.29 1.05 0.09 -0.78 3.52 -1.22 -4.98 118.95 114.34 2gyr s ARG 74 Ca -0.03 -1.25 -0.02 0.00 -0.13 0.00 0.00 55.73 54.29 2gyr s ARG 74 Cb 0.03 -0.97 -0.03 0.00 -1.56 0.00 0.00 34.95 32.42 2gyr s ARG 74 CO 0.29 0.19 0.05 0.71 -0.81 0.00 0.00 175.30 175.73 2gyr s TYR 75 N -2.08 0.60 -0.01 5.12 2.02 -1.26 -1.16 117.35 120.57 2gyr s TYR 75 Ca 0.09 -1.05 -0.20 0.00 -0.37 0.00 0.00 57.07 55.54 2gyr s TYR 75 Cb -0.05 -0.36 0.04 0.00 -0.40 0.00 0.00 41.96 41.19 2gyr s TYR 75 CO 0.03 -0.48 0.44 -1.83 -1.57 0.00 0.00 175.55 172.15 2gyr s GLU 76 N -3.96 0.84 1.22 -0.62 -1.05 -0.23 -4.80 118.70 110.09 2gyr s GLU 76 Ca 0.14 -0.10 -0.15 0.00 -0.15 0.00 0.00 54.97 54.71 2gyr s GLU 76 Cb 0.07 0.38 0.30 0.00 -0.44 0.00 0.00 34.13 34.44 2gyr s GLU 76 CO -0.05 -0.26 1.01 0.00 0.95 0.00 0.00 175.26 176.92 2gyr s ALA 77 N -1.55 -0.46 -0.08 -0.84 0.00 -1.26 -2.46 121.76 115.11 2gyr s ALA 77 Ca -0.11 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2gyr s ALA 77 Cb -0.03 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.96 2gyr s ALA 77 CO 0.04 -3.96 -0.05 0.08 0.00 0.00 0.00 175.76 171.87 2gyr s VAL 78 N -2.49 0.75 0.25 0.00 1.01 -0.69 -4.70 120.40 114.53 2gyr s VAL 78 Ca 0.68 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.58 2gyr s VAL 78 Cb -0.22 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2gyr s VAL 78 CO 0.63 0.30 0.10 -0.44 0.00 0.00 0.00 175.10 175.69 2gyr s SER 79 N 1.46 5.10 -0.23 3.32 0.01 -1.26 -1.75 113.70 120.34 2gyr s SER 79 Ca -0.01 -0.41 -0.32 0.00 1.31 0.00 0.00 55.95 56.52 2gyr s SER 79 Cb -0.13 -1.16 0.16 0.00 0.21 0.00 0.00 66.02 65.09 2gyr s SER 79 CO -0.04 -0.01 1.25 0.72 0.41 0.00 0.00 173.24 175.57 2gyr s PHE 80 N -2.17 -0.13 -0.16 2.43 -0.12 -1.03 -4.92 117.98 111.89 2gyr s PHE 80 Ca 0.32 0.17 -0.23 0.00 -0.05 0.00 0.00 56.93 57.14 2gyr s PHE 80 Cb -0.07 0.49 -0.02 0.00 -0.63 0.00 0.00 43.02 42.79 2gyr s PHE 80 CO 0.22 -0.14 0.74 -1.64 -0.05 0.00 0.00 175.22 174.35 2gyr s MET 81 N -1.52 4.30 0.74 1.99 -1.94 -1.26 -1.67 119.30 119.94 2gyr s MET 81 Ca 0.07 0.85 -0.13 0.00 -1.71 0.00 0.00 55.69 54.78 2gyr s MET 81 Cb -0.01 -3.55 0.18 0.00 2.01 0.00 0.00 34.83 33.46 2gyr s MET 81 CO -0.05 -0.22 0.87 -0.40 -0.01 0.00 0.00 175.02 175.22 2gyr n ASP 82 N 4.87 -0.55 -0.37 3.03 5.68 0.23 -4.25 116.55 125.19 2gyr n ASP 82 Ca 0.01 -1.21 0.01 0.00 -0.50 0.00 0.00 54.79 53.10 2gyr n ASP 82 Cb 0.50 -0.71 0.15 0.00 -1.14 0.00 0.00 41.12 39.92 2gyr n ASP 82 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 2gyr h VAL 83 N -1.82 1.15 0.00 2.12 -1.51 -1.87 0.94 116.25 115.27 2gyr h VAL 83 Ca -0.30 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 2gyr h VAL 83 Cb 0.84 -0.20 0.00 0.00 -2.13 0.00 0.00 31.29 29.81 2gyr h VAL 83 CO 0.20 0.23 0.00 -3.20 -1.23 0.00 0.00 177.57 173.57 2gyr n ASN 84 N -4.46 0.27 -4.19 4.19 5.15 -1.26 -4.84 115.26 110.12 2gyr n ASN 84 Ca 0.14 -1.78 -0.35 0.00 -0.60 0.00 0.00 54.58 51.99 2gyr n ASN 84 Cb 0.12 -0.14 -0.03 0.00 -0.53 0.00 0.00 39.78 39.20 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 -0.33 -2.73 -4.75 1.20 3.41 0.33 -4.97 113.62 105.77 2gyr n SER 85 Ca 0.00 -1.02 -0.35 0.00 -0.26 0.00 0.00 58.87 57.23 2gyr n SER 85 Cb 0.07 -2.76 -0.08 0.00 -0.26 0.00 0.00 64.21 61.18 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 -3.42 4.73 0.82 6.66 2.01 -1.25 -4.69 115.64 120.50 2gyr s THR 86 Ca 0.61 -0.11 -0.12 0.00 0.31 0.00 0.00 61.69 62.38 2gyr s THR 86 Cb -0.33 -3.03 0.09 0.00 0.01 0.00 0.00 72.50 69.23 2gyr s THR 86 CO 0.93 0.59 1.17 0.86 -0.69 0.00 0.00 174.62 177.47 2gyr s TRP 87 N -0.96 1.92 0.31 4.92 -0.00 -1.26 -0.60 118.94 123.28 2gyr s TRP 87 Ca 0.15 1.68 -0.19 0.00 -0.00 0.00 0.00 56.10 57.74 2gyr s TRP 87 Cb -0.12 -3.36 0.06 0.00 -0.00 0.00 0.00 33.47 30.05 2gyr s TRP 87 CO 0.04 -2.60 0.85 1.03 -0.00 0.00 0.00 176.95 176.27 2gyr s ARG 88 N -4.36 1.89 -0.23 5.86 0.52 -0.67 -4.82 118.95 117.13 2gyr s ARG 88 Ca 0.69 -1.18 -0.27 0.00 -0.52 0.00 0.00 55.73 54.45 2gyr s ARG 88 Cb -0.25 0.55 0.12 0.00 0.52 0.00 0.00 34.95 35.89 2gyr s ARG 88 CO 0.52 -0.88 1.00 -0.08 0.02 0.00 0.00 175.30 175.88 2gyr s THR 89 N -2.56 0.00 -0.06 0.02 -1.32 -1.26 -2.47 115.64 107.99 2gyr s THR 89 Ca 0.16 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.68 2gyr s THR 89 Cb -0.04 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 2gyr s THR 89 CO 0.09 0.00 -0.17 -0.69 -2.21 0.00 0.00 174.62 171.63 2gyr s VAL 90 N -0.29 1.50 0.40 5.08 1.01 -0.72 -4.97 120.40 122.41 2gyr s VAL 90 Ca 0.01 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 61.02 2gyr s VAL 90 Cb -0.03 -1.31 -0.09 0.00 0.00 0.00 0.00 36.38 34.95 2gyr s VAL 90 CO -0.03 0.43 1.06 -1.81 0.00 0.00 0.00 175.10 174.76 2gyr s ASP 91 N 0.29 6.75 -1.58 3.32 1.01 -1.26 -1.71 116.67 123.48 2gyr s ASP 91 Ca -0.11 2.07 -0.08 0.00 0.71 0.00 0.00 52.55 55.15 2gyr s ASP 91 Cb -0.14 -2.59 0.07 0.00 1.01 0.00 0.00 42.92 41.27 2gyr s ASP 91 CO 0.04 -0.50 0.41 0.54 0.21 0.00 0.00 175.17 175.87 2gyr n ARG 92 N -0.02 -2.23 0.06 8.23 1.74 -1.25 -4.87 116.66 118.31 2gyr n ARG 92 Ca 0.05 0.27 0.11 0.00 -0.77 0.00 0.00 57.85 57.51 2gyr n ARG 92 Cb 0.49 -4.41 -0.06 0.00 -1.02 0.00 0.00 32.46 27.46 2gyr n ARG 92 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2gyr n LEU 93 N -4.41 0.53 -4.32 0.55 4.77 -1.20 -4.80 117.00 108.12 2gyr n LEU 93 Ca -0.17 0.17 -0.32 0.00 -0.03 0.00 0.00 56.01 55.67 2gyr n LEU 93 Cb 0.61 -0.04 -0.15 0.00 -2.33 0.00 0.00 43.42 41.50 2gyr n LEU 93 CO 0.84 -0.10 -0.52 -0.55 -1.33 0.00 0.00 177.39 175.73 2gyr s SER 94 N -4.90 3.44 0.39 -1.43 0.15 -1.03 -4.91 113.70 105.42 2gyr s SER 94 Ca -0.03 -0.42 -0.24 0.00 0.70 0.00 0.00 55.95 55.97 2gyr s SER 94 Cb 0.12 -1.03 -0.09 0.00 -1.71 0.00 0.00 66.02 63.31 2gyr s SER 94 CO 0.83 0.24 1.03 0.00 1.20 0.00 0.00 173.24 176.55 2gyr s ALA 95 N -0.14 3.10 0.00 5.45 0.00 -0.75 -1.06 121.76 128.35 2gyr s ALA 95 Ca -0.03 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.59 2gyr s ALA 95 Cb -0.14 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2gyr s ALA 95 CO 0.04 -0.15 0.39 0.25 0.00 0.00 0.00 175.76 176.29 2gyr n THR 96 N -0.04 0.01 -3.55 0.00 -2.24 -0.31 -4.54 114.28 103.61 2gyr n THR 96 Ca 0.05 -0.39 -0.14 0.00 -2.27 0.00 0.00 64.05 61.30 2gyr n THR 96 Cb 0.50 1.22 -0.06 0.00 -2.10 0.00 0.00 70.33 69.89 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 -0.01 -1.85 0.36 6.98 0.00 -1.25 -4.91 121.76 121.08 2gyr s ALA 97 Ca 0.00 1.49 0.09 0.00 0.00 0.00 0.00 51.96 53.54 2gyr s ALA 97 Cb 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 23.12 22.63 2gyr s ALA 97 CO 0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 175.76 175.36 2gyr s GLY 99 N -3.64 -0.22 0.00 0.00 0.00 -0.70 -4.74 107.32 98.01 2gyr s GLY 99 Ca 0.33 2.19 0.27 0.00 0.00 0.00 0.00 44.72 47.51 2gyr s GLY 99 CO 0.17 1.16 1.65 0.00 0.00 0.00 0.00 173.10 176.08