#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 4.16 2.05 -0.02 0.00 1.70 -0.60 -4.95 118.95 121.31 2gyr s ARG 6 Ca 0.81 -1.33 -0.27 0.00 -0.47 0.00 0.00 55.73 54.47 2gyr s ARG 6 Cb -0.38 0.60 -0.04 0.00 -0.57 0.00 0.00 34.95 34.56 2gyr s ARG 6 CO 0.35 -0.94 0.84 -1.17 -1.08 0.00 0.00 175.30 173.30 2gyr s LEU 7 N -3.04 4.36 0.01 -1.89 2.96 -1.26 -2.75 118.68 117.07 2gyr s LEU 7 Ca 0.16 1.44 0.02 0.00 -0.22 0.00 0.00 54.13 55.53 2gyr s LEU 7 Cb -0.05 -3.33 -0.04 0.00 0.50 0.00 0.00 46.19 43.28 2gyr s LEU 7 CO 0.11 -0.16 -0.00 -0.13 -1.32 0.00 0.00 176.35 174.84 2gyr s ARG 8 N 0.78 2.74 -0.02 1.98 1.81 0.12 -4.94 118.95 121.43 2gyr s ARG 8 Ca 0.44 -0.65 0.02 0.00 -1.72 0.00 0.00 55.73 53.83 2gyr s ARG 8 Cb -0.20 -2.64 -0.00 0.00 -0.45 0.00 0.00 34.95 31.66 2gyr s ARG 8 CO 0.23 0.61 -0.08 0.45 -0.68 0.00 0.00 175.30 175.84 2gyr s SER 9 N -1.67 0.98 0.20 0.23 0.15 -1.26 -1.72 113.70 110.61 2gyr s SER 9 Ca 0.20 -0.15 -0.21 0.00 0.70 0.00 0.00 55.95 56.50 2gyr s SER 9 Cb -0.12 -0.19 0.04 0.00 -1.71 0.00 0.00 66.02 64.04 2gyr s SER 9 CO 0.11 0.07 0.60 -1.10 1.20 0.00 0.00 173.24 174.13 2gyr s GLN 10 N 0.04 1.44 -0.18 5.44 -0.21 -1.20 -5.03 119.66 119.95 2gyr s GLN 10 Ca -0.00 -0.74 -0.07 0.00 0.02 0.00 0.00 55.36 54.57 2gyr s GLN 10 Cb -0.06 0.57 -0.04 0.00 1.00 0.00 0.00 33.01 34.49 2gyr s GLN 10 CO -0.00 -0.63 0.05 -0.51 -2.12 0.00 0.00 175.29 172.08 2gyr s LEU 11 N -2.83 3.75 0.05 2.90 1.43 -1.26 -1.86 118.68 120.85 2gyr s LEU 11 Ca 0.06 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.23 2gyr s LEU 11 Cb -0.02 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 2gyr s LEU 11 CO -0.04 0.17 -0.07 0.68 0.23 0.00 0.00 176.35 177.31 2gyr s VAL 12 N 0.42 0.53 0.13 -1.59 -7.23 -0.85 -4.89 120.40 106.92 2gyr s VAL 12 Ca 0.02 -1.31 -0.30 0.00 -1.81 0.00 0.00 61.98 58.58 2gyr s VAL 12 Cb -0.13 -0.88 -0.07 0.00 0.56 0.00 0.00 36.38 35.86 2gyr s VAL 12 CO 0.01 -0.54 1.26 -2.84 -0.31 0.00 0.00 175.10 172.68 2gyr s PRO 13 N -2.23 4.41 0.55 4.82 0.02 -1.26 -2.08 135.00 139.24 2gyr s PRO 13 Ca -0.04 1.92 0.23 0.00 0.02 0.00 0.00 61.00 63.12 2gyr s PRO 13 Cb -0.05 -3.27 1.51 0.00 0.02 0.00 0.00 34.50 32.70 2gyr s PRO 13 CO -0.01 -0.26 2.16 -0.24 -0.33 0.00 0.00 177.00 178.32 2gyr h VAL 14 N 4.13 0.75 0.00 3.83 3.04 -1.64 -0.47 116.25 125.89 2gyr h VAL 14 Ca -0.43 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 2gyr h VAL 14 Cb 1.21 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 2gyr h VAL 14 CO 0.80 0.00 0.00 -1.14 -1.01 0.00 0.00 177.57 176.22 2gyr n ARG 15 N -4.21 0.29 0.00 4.17 0.63 -1.14 -0.99 116.66 115.41 2gyr n ARG 15 Ca -0.01 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.95 2gyr n ARG 15 Cb 0.18 -1.34 0.00 0.00 0.45 0.00 0.00 32.46 31.76 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 -0.84 2.55 1.59 5.13 0.00 -0.19 -4.52 120.51 124.24 2gyr n ALA 16 Ca 0.05 -0.40 0.07 0.00 0.00 0.00 0.00 53.44 53.16 2gyr n ALA 16 Cb 0.02 -0.19 0.43 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.21 0.00 0.00 0.00 4.77 -0.16 -4.86 117.00 116.54 2gyr n LEU 17 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2gyr n LEU 17 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2gyr n LEU 17 CO 0.06 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 2gyr n GLY 18 N 0.46 0.10 0.54 -0.72 0.00 -1.26 -4.79 105.19 99.52 2gyr n GLY 18 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.97 -2.06 0.99 4.77 -1.26 -4.77 117.00 115.64 2gyr n LEU 19 Ca 0.00 -0.49 -0.16 0.00 -0.03 0.00 0.00 56.01 55.33 2gyr n LEU 19 Cb 0.19 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 2gyr n LEU 19 CO 0.00 0.23 -0.19 0.61 -1.33 0.00 0.00 177.39 176.71 2gyr n GLY 20 N 0.12 0.28 3.73 -0.72 0.00 -1.26 -4.92 105.19 102.42 2gyr n GLY 20 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.64 3.33 -0.23 1.61 4.02 -1.26 -5.07 115.29 115.05 2gyr s HIS 21 Ca 0.00 0.27 -0.19 0.00 1.02 0.00 0.00 55.06 56.16 2gyr s HIS 21 Cb 0.00 -1.91 -0.03 0.00 -1.02 0.00 0.00 32.58 29.62 2gyr s HIS 21 CO 0.00 0.48 0.56 -0.98 1.02 0.00 0.00 174.74 175.82 2gyr s ARG 22 N -0.62 4.14 0.00 1.40 1.70 -1.26 -4.11 118.95 120.20 2gyr s ARG 22 Ca 0.11 0.45 0.00 0.00 -0.47 0.00 0.00 55.73 55.82 2gyr s ARG 22 Cb -0.12 -3.61 0.00 0.00 -0.57 0.00 0.00 34.95 30.65 2gyr s ARG 22 CO 0.02 -0.27 0.00 0.45 -1.08 0.00 0.00 175.30 174.42 2gyr n SER 23 N 5.23 0.00 -4.22 -2.89 2.88 -1.26 -3.09 113.62 110.28 2gyr n SER 23 Ca -0.03 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.12 2gyr n SER 23 Cb 0.50 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.85 2gyr n SER 23 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2gyr s ASP 24 N 0.00 5.50 -0.30 -3.46 -4.77 -1.26 -2.91 116.67 109.47 2gyr s ASP 24 Ca 0.00 -1.68 -0.09 0.00 -3.30 0.00 0.00 52.55 47.48 2gyr s ASP 24 Cb 0.00 -1.93 0.16 0.00 -1.09 0.00 0.00 42.92 40.06 2gyr s ASP 24 CO 0.00 -0.54 0.77 -1.61 0.70 0.00 0.00 175.17 174.48 2gyr s GLU 25 N 1.33 0.46 -0.24 2.11 2.02 -1.26 -4.99 118.70 118.14 2gyr s GLU 25 Ca 0.04 1.04 -0.29 0.00 0.02 0.00 0.00 54.97 55.78 2gyr s GLU 25 Cb -0.23 0.61 0.01 0.00 0.10 0.00 0.00 34.13 34.62 2gyr s GLU 25 CO -0.00 -0.28 1.08 -0.51 0.02 0.00 0.00 175.26 175.57 2gyr s LEU 26 N 2.78 4.08 0.20 1.80 1.43 -1.26 -2.77 118.68 124.93 2gyr s LEU 26 Ca 0.02 1.36 0.09 0.00 -1.03 0.00 0.00 54.13 54.58 2gyr s LEU 26 Cb -0.11 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 2gyr s LEU 26 CO -0.18 -0.72 -0.17 0.68 0.23 0.00 0.00 176.35 176.18 2gyr s VAL 27 N 3.34 1.92 0.20 -1.59 -7.23 -0.88 -4.85 120.40 111.30 2gyr s VAL 27 Ca 0.46 -2.10 -0.30 0.00 -1.81 0.00 0.00 61.98 58.23 2gyr s VAL 27 Cb -0.15 -2.00 -0.08 0.00 0.56 0.00 0.00 36.38 34.70 2gyr s VAL 27 CO 0.09 -0.42 1.17 -0.60 -0.31 0.00 0.00 175.10 175.04 2gyr s ARG 28 N -3.20 4.52 -0.17 4.82 6.06 -1.26 -2.00 118.95 127.72 2gyr s ARG 28 Ca 0.21 1.86 -0.04 0.00 -2.50 0.00 0.00 55.73 55.25 2gyr s ARG 28 Cb -0.04 -3.23 0.06 0.00 0.06 0.00 0.00 34.95 31.80 2gyr s ARG 28 CO 0.08 -0.03 0.07 0.12 -2.50 0.00 0.00 175.30 173.05 2gyr s PHE 29 N -0.29 0.40 0.03 5.12 5.36 -0.78 -4.96 117.98 122.85 2gyr s PHE 29 Ca 0.51 -0.42 0.01 0.00 -0.96 0.00 0.00 56.93 56.07 2gyr s PHE 29 Cb -0.32 -0.77 -0.04 0.00 -0.34 0.00 0.00 43.02 41.55 2gyr s PHE 29 CO 0.38 -0.52 0.09 1.03 -1.46 0.00 0.00 175.22 174.74 2gyr s ARG 30 N 2.07 3.02 0.30 10.12 0.52 -1.26 -3.27 118.95 130.45 2gyr s ARG 30 Ca 0.01 -0.56 -0.02 0.00 -0.52 0.00 0.00 55.73 54.64 2gyr s ARG 30 Cb -0.16 -2.82 0.01 0.00 0.52 0.00 0.00 34.95 32.50 2gyr s ARG 30 CO -0.08 0.61 0.43 1.97 0.02 0.00 0.00 175.30 178.25 2gyr n PHE 31 N 0.84 -1.35 -5.13 -0.53 1.16 -0.70 -0.90 117.46 110.84 2gyr n PHE 31 Ca -0.11 -1.93 -0.30 0.00 -1.87 0.00 0.00 57.45 53.24 2gyr n PHE 31 Cb 0.52 0.49 -0.17 0.00 -1.61 0.00 0.00 39.48 38.71 2gyr n PHE 31 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2gyr s SER 33 N 0.09 -0.36 0.00 0.00 1.04 -1.11 -4.72 113.70 108.65 2gyr s SER 33 Ca -0.10 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 55.98 2gyr s SER 33 Cb -0.15 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2gyr s SER 33 CO 0.05 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.75 2gyr n GLY 34 N -0.42 0.96 3.89 7.32 0.00 -1.26 -1.55 105.19 114.12 2gyr n GLY 34 Ca -0.09 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.45 6.39 0.00 1.61 0.15 -1.26 -4.52 113.70 115.61 2gyr s SER 35 Ca 0.00 1.02 0.00 0.00 0.70 0.00 0.00 55.95 57.67 2gyr s SER 35 Cb 0.00 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2gyr s SER 35 CO 0.00 -0.49 0.04 0.00 1.20 0.00 0.00 173.24 173.99 2gyr n ARG 37 N -0.00 0.06 -0.01 0.00 1.85 -1.26 0.14 116.66 117.44 2gyr n ARG 37 Ca 0.00 0.50 0.14 0.00 -1.00 0.00 0.00 57.85 57.49 2gyr n ARG 37 Cb 0.23 -2.13 0.55 0.00 -1.05 0.00 0.00 32.46 30.06 2gyr n ARG 37 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2gyr n ARG 38 N -1.87 1.60 -0.36 2.89 1.74 -1.26 -3.03 116.66 116.37 2gyr n ARG 38 Ca -0.01 -0.88 0.09 0.00 -0.77 0.00 0.00 57.85 56.29 2gyr n ARG 38 Cb 0.46 -1.47 0.27 0.00 -1.02 0.00 0.00 32.46 30.70 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 0.07 2.47 -1.68 7.54 0.00 0.38 -4.98 120.51 124.30 2gyr n ALA 39 Ca 0.19 -1.36 -0.44 0.00 0.00 0.00 0.00 53.44 51.84 2gyr n ALA 39 Cb 0.33 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 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 1.10 2.66 -1.09 0.00 1.74 -1.17 -4.78 116.66 115.12 2gyr n ARG 40 Ca 0.21 0.97 -0.09 0.00 -0.77 0.00 0.00 57.85 58.16 2gyr n ARG 40 Cb 0.62 -2.86 0.06 0.00 -1.02 0.00 0.00 32.46 29.26 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 6.04 0.32 0.05 0.55 3.41 -1.26 -4.87 113.62 117.86 2gyr n SER 41 Ca 0.19 -1.33 -0.11 0.00 -0.26 0.00 0.00 58.87 57.36 2gyr n SER 41 Cb 0.36 -0.29 -0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.43 -0.13 4.33 0.11 -1.99 -1.41 132.00 133.35 2gyr h PRO 42 Ca -0.14 -0.38 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 2gyr h PRO 42 Cb 0.44 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 2gyr h PRO 42 CO 0.12 1.03 0.03 1.25 -0.21 0.00 0.00 178.00 180.22 2gyr h HIS 43 N 0.28 0.23 -0.92 0.65 -0.00 -1.99 -1.21 115.15 112.19 2gyr h HIS 43 Ca -0.05 -0.03 0.10 0.00 -0.00 0.00 0.00 60.37 60.40 2gyr h HIS 43 Cb 1.39 -0.06 -0.07 0.00 -0.00 0.00 0.00 27.41 28.67 2gyr h HIS 43 CO 0.05 0.38 0.59 -0.44 -0.00 0.00 0.00 177.93 178.51 2gyr h ASP 44 N 0.01 0.82 -0.20 3.26 5.19 -1.83 -0.16 116.42 123.51 2gyr h ASP 44 Ca 0.04 0.03 -0.17 0.00 -0.62 0.00 0.00 57.03 56.31 2gyr h ASP 44 Cb 0.27 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.64 2gyr h ASP 44 CO 0.00 0.47 -0.49 -0.07 -3.12 0.00 0.00 179.24 176.02 2gyr h LEU 45 N 0.89 0.84 -0.47 1.55 3.38 -0.94 -2.81 115.31 117.75 2gyr h LEU 45 Ca 0.43 -0.43 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 2gyr h LEU 45 Cb 0.45 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2gyr h LEU 45 CO -0.19 1.19 -0.54 0.28 0.09 0.00 0.00 178.44 179.27 2gyr h SER 46 N 0.61 0.71 -0.44 -0.43 0.02 -0.31 -2.07 113.55 111.63 2gyr h SER 46 Ca 0.03 -0.38 -0.03 0.00 -0.84 0.00 0.00 61.79 60.57 2gyr h SER 46 Cb 1.07 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 2gyr h SER 46 CO 0.11 1.11 0.17 0.25 -1.14 0.00 0.00 176.83 177.32 2gyr h LEU 47 N 0.50 0.62 -1.18 5.07 5.85 -1.10 -0.65 115.31 124.42 2gyr h LEU 47 Ca 0.01 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 2gyr h LEU 47 Cb 1.10 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 2gyr h LEU 47 CO 0.11 0.63 0.03 0.00 -0.34 0.00 0.00 178.44 178.87 2gyr h ALA 48 N 1.01 1.33 -0.36 1.25 0.00 -1.44 0.13 119.26 121.18 2gyr h ALA 48 Ca 0.15 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 2gyr h ALA 48 Cb 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2gyr h ALA 48 CO -0.01 0.46 -0.36 1.03 0.00 0.00 0.00 179.25 180.37 2gyr h SER 49 N 0.58 0.88 -0.17 0.00 0.87 -1.03 0.15 113.55 114.83 2gyr h SER 49 Ca 0.13 -0.39 -0.12 0.00 -1.23 0.00 0.00 61.79 60.18 2gyr h SER 49 Cb 0.32 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2gyr h SER 49 CO 0.01 1.15 -0.36 -0.07 -0.53 0.00 0.00 176.83 177.02 2gyr h LEU 50 N 0.69 0.61 -0.87 2.23 3.38 -0.61 -3.09 115.31 117.65 2gyr h LEU 50 Ca 0.06 -0.56 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 2gyr h LEU 50 Cb 0.92 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2gyr h LEU 50 CO 0.09 1.06 -0.17 -0.07 0.09 0.00 0.00 178.44 179.43 2gyr h LEU 51 N 0.18 0.64 0.00 1.67 3.38 -0.70 0.22 115.31 120.70 2gyr h LEU 51 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2gyr h LEU 51 Cb 0.96 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2gyr h LEU 51 CO 0.08 0.82 0.00 0.61 0.09 0.00 0.00 178.44 180.04 2gyr n GLY 52 N -0.42 -0.87 0.00 0.83 0.00 0.52 -2.06 105.19 103.19 2gyr n GLY 52 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.19 2.06 -3.04 4.61 0.00 -1.01 -4.98 120.51 116.96 2gyr n ALA 53 Ca 0.12 -0.67 -0.23 0.00 0.00 0.00 0.00 53.44 52.66 2gyr n ALA 53 Cb 0.14 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.20 -0.53 0.18 0.00 0.00 -0.85 -4.87 105.19 98.93 2gyr n GLY 54 Ca 0.00 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.24 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 1.01 0.86 -3.08 4.61 0.00 -0.84 -3.45 119.26 118.36 2gyr h ALA 55 Ca -0.53 -0.19 -0.64 0.00 0.00 0.00 0.00 54.91 53.55 2gyr h ALA 55 Cb 1.37 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 2gyr h ALA 55 CO 0.57 0.25 -0.57 -0.51 0.00 0.00 0.00 179.25 179.00 2gyr s LEU 56 N -6.28 3.96 0.01 0.00 1.43 -1.25 -5.04 118.68 111.52 2gyr s LEU 56 Ca 0.06 0.12 -0.18 0.00 -1.03 0.00 0.00 54.13 53.10 2gyr s LEU 56 Cb 0.06 -2.47 -0.06 0.00 0.03 0.00 0.00 46.19 43.75 2gyr s LEU 56 CO 0.70 0.22 0.51 -0.13 0.23 0.00 0.00 176.35 177.88 2gyr s ARG 57 N -2.10 4.14 -0.18 1.70 1.81 -1.26 -4.98 118.95 118.08 2gyr s ARG 57 Ca 0.27 0.59 -0.36 0.00 -1.72 0.00 0.00 55.73 54.51 2gyr s ARG 57 Cb -0.12 -3.27 -0.12 0.00 -0.45 0.00 0.00 34.95 30.98 2gyr s ARG 57 CO 0.19 0.55 1.90 -2.30 -0.68 0.00 0.00 175.30 174.96 2gyr n PRO 58 N 2.17 1.75 -1.71 3.54 -0.02 -1.26 -4.93 135.00 134.54 2gyr n PRO 58 Ca -0.11 0.62 -0.33 0.00 -2.02 0.00 0.00 63.50 61.66 2gyr n PRO 58 Cb 0.51 -2.50 0.05 0.00 -0.02 0.00 0.00 33.50 31.55 2gyr n PRO 58 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2gyr s PRO 59 N 4.33 2.69 0.16 0.52 0.04 -1.26 -4.88 135.00 136.59 2gyr s PRO 59 Ca 0.97 1.46 -0.34 0.00 0.04 0.00 0.00 61.00 63.13 2gyr s PRO 59 Cb -0.80 -1.93 -0.14 0.00 0.04 0.00 0.00 34.50 31.67 2gyr s PRO 59 CO 0.55 -1.35 1.60 -0.35 0.04 0.00 0.00 177.00 177.49 2gyr n PRO 60 N -2.46 2.22 0.00 0.56 -0.04 -1.26 -4.62 135.00 129.40 2gyr n PRO 60 Ca 0.11 0.80 0.00 0.00 -0.04 0.00 0.00 63.50 64.37 2gyr n PRO 60 Cb 0.52 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 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 3.50 0.51 3.77 0.55 0.00 -1.26 -4.97 105.19 107.28 2gyr n GLY 61 Ca 0.17 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.16 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 6.91 0.45 1.61 1.04 -1.26 -4.98 113.70 113.46 2gyr s SER 62 Ca 0.00 2.55 -0.25 0.00 0.48 0.00 0.00 55.95 58.72 2gyr s SER 62 Cb 0.00 -2.64 -0.08 0.00 0.10 0.00 0.00 66.02 63.39 2gyr s SER 62 CO 0.00 -0.42 1.42 -1.14 0.98 0.00 0.00 173.24 174.07 2gyr n ARG 63 N 0.88 2.22 -1.75 4.02 0.63 -1.26 -4.87 116.66 116.53 2gyr n ARG 63 Ca -0.00 0.79 -0.35 0.00 -0.92 0.00 0.00 57.85 57.37 2gyr n ARG 63 Cb 0.43 -2.61 0.06 0.00 0.45 0.00 0.00 32.46 30.79 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 -2.42 2.64 -0.16 -0.14 0.04 -1.26 -5.00 135.00 128.70 2gyr s PRO 64 Ca 0.61 1.68 -0.06 0.00 0.04 0.00 0.00 61.00 63.27 2gyr s PRO 64 Cb -0.45 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 2gyr s PRO 64 CO 0.58 -1.43 0.05 0.14 0.04 0.00 0.00 177.00 176.38 2gyr s VAL 65 N -1.93 4.69 -0.34 -0.36 -7.23 -1.26 -5.02 120.40 108.95 2gyr s VAL 65 Ca 0.73 -0.07 0.11 0.00 -1.81 0.00 0.00 61.98 60.94 2gyr s VAL 65 Cb -0.27 -3.09 0.72 0.00 0.56 0.00 0.00 36.38 34.30 2gyr s VAL 65 CO 0.39 0.49 1.64 -1.54 -0.31 0.00 0.00 175.10 175.77 2gyr n SER 66 N 3.27 5.04 -3.71 4.85 3.41 -1.26 -4.95 113.62 120.28 2gyr n SER 66 Ca -0.17 -2.90 -0.10 0.00 -0.26 0.00 0.00 58.87 55.43 2gyr n SER 66 Cb 0.53 -0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 63.75 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 -2.62 1.71 0.97 4.33 -2.07 -1.26 -4.69 119.66 116.03 2gyr s GLN 67 Ca 0.49 -1.40 -0.14 0.00 -1.82 0.00 0.00 55.36 52.49 2gyr s GLN 67 Cb 0.38 0.48 0.17 0.00 -1.09 0.00 0.00 33.01 32.95 2gyr s GLN 67 CO 0.14 -0.72 1.14 -2.14 -1.32 0.00 0.00 175.29 172.39 2gyr s PRO 68 N -3.61 0.65 -0.08 9.60 0.02 -1.26 -5.03 135.00 135.29 2gyr s PRO 68 Ca 0.24 0.21 0.03 0.00 0.02 0.00 0.00 61.00 61.50 2gyr s PRO 68 Cb -0.01 -1.79 -0.02 0.00 0.02 0.00 0.00 34.50 32.70 2gyr s PRO 68 CO 0.12 -2.52 -0.18 0.00 -0.33 0.00 0.00 177.00 174.09 2gyr s ARG 71 N 5.04 0.36 0.34 0.00 1.81 -0.81 -4.52 118.95 121.17 2gyr s ARG 71 Ca 0.73 -0.57 -0.29 0.00 -1.72 0.00 0.00 55.73 53.89 2gyr s ARG 71 Cb -0.23 -0.08 -0.11 0.00 -0.45 0.00 0.00 34.95 34.08 2gyr s ARG 71 CO 0.31 0.00 1.49 -1.25 -0.68 0.00 0.00 175.30 175.17 2gyr s PRO 72 N -1.26 4.15 -0.09 3.54 0.04 -1.26 -2.47 135.00 137.64 2gyr s PRO 72 Ca -0.11 2.51 0.12 0.00 0.04 0.00 0.00 61.00 63.56 2gyr s PRO 72 Cb -0.08 -3.00 -0.18 0.00 0.04 0.00 0.00 34.50 31.28 2gyr s PRO 72 CO -0.00 -0.51 0.12 0.25 0.04 0.00 0.00 177.00 176.90 2gyr n THR 73 N 1.03 0.61 -4.34 1.26 -2.24 -0.39 -4.91 114.28 105.31 2gyr n THR 73 Ca 0.03 -0.48 -0.18 0.00 -2.27 0.00 0.00 64.05 61.16 2gyr n THR 73 Cb 0.39 -0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 68.11 2gyr n THR 73 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2gyr s ARG 74 N -2.50 1.35 0.22 -0.78 0.52 -1.22 -5.02 118.95 111.51 2gyr s ARG 74 Ca -0.06 -1.67 -0.07 0.00 -0.52 0.00 0.00 55.73 53.41 2gyr s ARG 74 Cb 0.05 -0.73 -0.02 0.00 0.52 0.00 0.00 34.95 34.77 2gyr s ARG 74 CO 0.54 -0.05 0.30 0.71 0.02 0.00 0.00 175.30 176.82 2gyr s TYR 75 N -3.33 0.74 0.08 -0.53 2.02 -1.26 -2.71 117.35 112.36 2gyr s TYR 75 Ca 0.27 -1.03 -0.24 0.00 -0.37 0.00 0.00 57.07 55.70 2gyr s TYR 75 Cb 0.05 -0.18 0.06 0.00 -0.40 0.00 0.00 41.96 41.49 2gyr s TYR 75 CO 0.08 -0.81 0.57 -1.83 -1.57 0.00 0.00 175.55 172.00 2gyr s GLU 76 N -4.08 1.15 1.03 -0.62 -1.05 0.24 -4.79 118.70 110.58 2gyr s GLU 76 Ca 0.30 -0.29 -0.12 0.00 -0.15 0.00 0.00 54.97 54.71 2gyr s GLU 76 Cb 0.03 0.53 0.21 0.00 -0.44 0.00 0.00 34.13 34.46 2gyr s GLU 76 CO 0.10 -0.45 1.08 0.00 0.95 0.00 0.00 175.26 176.94 2gyr s ALA 77 N -2.89 0.65 -0.17 -0.84 0.00 -1.26 -1.54 121.76 115.70 2gyr s ALA 77 Ca -0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 51.96 51.62 2gyr s ALA 77 Cb -0.00 -3.15 0.05 0.00 0.00 0.00 0.00 23.12 20.02 2gyr s ALA 77 CO -0.05 -3.06 0.01 0.08 0.00 0.00 0.00 175.76 172.74 2gyr s VAL 78 N -2.85 0.62 0.29 0.00 1.01 -0.50 -4.64 120.40 114.33 2gyr s VAL 78 Ca 0.66 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 62.22 2gyr s VAL 78 Cb -0.20 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 2gyr s VAL 78 CO 0.59 -0.08 0.38 -0.44 0.00 0.00 0.00 175.10 175.54 2gyr s SER 79 N 1.83 5.99 0.01 3.32 0.01 -1.26 -2.10 113.70 121.49 2gyr s SER 79 Ca 0.00 -0.12 -0.29 0.00 1.31 0.00 0.00 55.95 56.85 2gyr s SER 79 Cb -0.16 -1.48 0.10 0.00 0.21 0.00 0.00 66.02 64.69 2gyr s SER 79 CO -0.07 -0.23 1.06 0.72 0.41 0.00 0.00 173.24 175.12 2gyr s PHE 80 N -2.11 -0.17 -0.24 2.43 -0.12 -0.96 -4.93 117.98 111.88 2gyr s PHE 80 Ca 0.39 0.01 -0.10 0.00 -0.05 0.00 0.00 56.93 57.18 2gyr s PHE 80 Cb -0.09 0.57 -0.05 0.00 -0.63 0.00 0.00 43.02 42.82 2gyr s PHE 80 CO 0.29 -0.51 0.14 -1.64 -0.05 0.00 0.00 175.22 173.45 2gyr s MET 81 N -2.89 3.99 0.00 1.99 -1.94 -1.26 -1.73 119.30 117.45 2gyr s MET 81 Ca 0.10 -0.31 0.00 0.00 -1.71 0.00 0.00 55.69 53.77 2gyr s MET 81 Cb 0.00 -3.49 0.00 0.00 2.01 0.00 0.00 34.83 33.35 2gyr s MET 81 CO -0.04 0.02 0.00 -0.40 -0.01 0.00 0.00 175.02 174.59 2gyr n ASP 82 N 4.40 -0.13 -0.11 3.03 5.68 -0.23 -4.72 116.55 124.48 2gyr n ASP 82 Ca -0.15 -0.21 -0.11 0.00 -0.50 0.00 0.00 54.79 53.82 2gyr n ASP 82 Cb 0.52 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.52 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 -0.51 1.27 -0.14 2.12 -1.51 -1.87 -2.76 116.25 112.86 2gyr h VAL 83 Ca 0.00 -1.48 0.00 0.00 -1.23 0.00 0.00 66.70 63.99 2gyr h VAL 83 Cb 0.00 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 30.47 2gyr h VAL 83 CO 0.00 0.49 0.00 -3.20 -1.23 0.00 0.00 177.57 173.63 2gyr n ASN 84 N -4.08 1.45 -2.77 4.19 5.15 -1.26 -4.87 115.26 113.08 2gyr n ASN 84 Ca -0.01 -2.10 -0.21 0.00 -0.60 0.00 0.00 54.58 51.66 2gyr n ASN 84 Cb 0.50 -0.33 0.03 0.00 -0.53 0.00 0.00 39.78 39.45 2gyr n ASN 84 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2gyr n SER 85 N 0.05 -5.84 -4.46 1.20 2.88 -1.04 -5.01 113.62 101.41 2gyr n SER 85 Ca 0.06 -0.24 -0.33 0.00 -1.33 0.00 0.00 58.87 57.03 2gyr n SER 85 Cb 0.30 -4.69 -0.13 0.00 -0.75 0.00 0.00 64.21 58.94 2gyr n SER 85 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2gyr s THR 86 N -3.13 2.97 0.41 2.46 2.01 -1.26 -4.79 115.64 114.31 2gyr s THR 86 Ca 0.26 -0.76 -0.25 0.00 0.31 0.00 0.00 61.69 61.25 2gyr s THR 86 Cb -0.11 -2.16 -0.08 0.00 0.01 0.00 0.00 72.50 70.16 2gyr s THR 86 CO 0.32 0.59 1.21 0.86 -0.69 0.00 0.00 174.62 176.90 2gyr s TRP 87 N -0.66 2.95 0.14 4.92 -0.00 -1.26 -1.06 118.94 123.97 2gyr s TRP 87 Ca 0.10 1.51 -0.09 0.00 -0.00 0.00 0.00 56.10 57.62 2gyr s TRP 87 Cb -0.11 -3.47 -0.00 0.00 -0.00 0.00 0.00 33.47 29.89 2gyr s TRP 87 CO 0.01 -1.59 0.27 1.03 -0.00 0.00 0.00 176.95 176.67 2gyr s ARG 88 N -2.36 1.06 -0.17 5.86 1.81 -0.71 -4.93 118.95 119.52 2gyr s ARG 88 Ca 0.58 -1.08 -0.12 0.00 -1.72 0.00 0.00 55.73 53.40 2gyr s ARG 88 Cb -0.32 0.37 0.05 0.00 -0.45 0.00 0.00 34.95 34.60 2gyr s ARG 88 CO 0.41 -0.38 0.43 -0.08 -0.68 0.00 0.00 175.30 175.01 2gyr s THR 89 N -3.92 -0.02 -0.19 0.02 -1.32 -1.26 -2.26 115.64 106.68 2gyr s THR 89 Ca 0.12 0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 2gyr s THR 89 Cb 0.04 -0.63 0.02 0.00 -1.51 0.00 0.00 72.50 70.41 2gyr s THR 89 CO -0.04 0.02 -0.16 -0.69 -2.21 0.00 0.00 174.62 171.54 2gyr s VAL 90 N 1.04 2.32 0.81 5.08 1.01 -0.89 -4.97 120.40 124.80 2gyr s VAL 90 Ca -0.07 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 60.89 2gyr s VAL 90 Cb -0.06 -2.02 0.08 0.00 0.00 0.00 0.00 36.38 34.37 2gyr s VAL 90 CO -0.09 0.47 1.09 -1.81 0.00 0.00 0.00 175.10 174.76 2gyr s ASP 91 N 1.31 4.31 -1.29 3.32 1.01 -1.26 -1.41 116.67 122.67 2gyr s ASP 91 Ca 0.04 1.46 -0.16 0.00 0.71 0.00 0.00 52.55 54.60 2gyr s ASP 91 Cb -0.14 -2.20 0.16 0.00 1.01 0.00 0.00 42.92 41.75 2gyr s ASP 91 CO -0.11 -2.10 0.42 0.54 0.21 0.00 0.00 175.17 174.13 2gyr n ARG 92 N -3.54 -1.53 -0.02 8.23 1.74 -1.25 -4.81 116.66 115.48 2gyr n ARG 92 Ca 0.07 0.11 -0.12 0.00 -0.77 0.00 0.00 57.85 57.15 2gyr n ARG 92 Cb 0.55 -4.67 -0.14 0.00 -1.02 0.00 0.00 32.46 27.18 2gyr n ARG 92 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2gyr n LEU 93 N -3.58 1.24 -4.49 0.55 0.00 -0.99 -4.76 117.00 104.98 2gyr n LEU 93 Ca 0.08 0.35 -0.32 0.00 0.00 0.00 0.00 56.01 56.12 2gyr n LEU 93 Cb 0.47 -0.11 -0.12 0.00 0.00 0.00 0.00 43.42 43.66 2gyr n LEU 93 CO 0.66 0.50 -0.46 -0.55 0.00 0.00 0.00 177.39 177.54 2gyr s SER 94 N -6.27 4.01 0.42 1.96 0.15 -0.59 -4.92 113.70 108.46 2gyr s SER 94 Ca -0.09 -0.31 -0.15 0.00 0.70 0.00 0.00 55.95 56.10 2gyr s SER 94 Cb 0.08 -0.76 -0.08 0.00 -1.71 0.00 0.00 66.02 63.54 2gyr s SER 94 CO 0.81 0.29 0.86 0.00 1.20 0.00 0.00 173.24 176.40 2gyr s ALA 95 N -0.88 3.20 0.00 5.45 0.00 -0.08 -0.59 121.76 128.86 2gyr s ALA 95 Ca 0.14 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2gyr s ALA 95 Cb -0.11 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.09 2gyr s ALA 95 CO 0.04 0.03 0.49 0.25 0.00 0.00 0.00 175.76 176.57 2gyr n THR 96 N -1.05 0.23 -3.61 0.00 -2.24 -1.10 -4.47 114.28 102.04 2gyr n THR 96 Ca 0.05 -0.31 -0.08 0.00 -2.27 0.00 0.00 64.05 61.44 2gyr n THR 96 Cb 0.54 1.13 -0.05 0.00 -2.10 0.00 0.00 70.33 69.85 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 -0.23 -2.01 0.44 6.98 0.00 -1.26 -4.93 121.76 120.75 2gyr s ALA 97 Ca 0.00 1.71 0.04 0.00 0.00 0.00 0.00 51.96 53.71 2gyr s ALA 97 Cb 0.00 -1.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 2gyr s ALA 97 CO 0.00 -0.26 0.13 0.00 0.00 0.00 0.00 175.76 175.63 2gyr n GLY 99 N -1.00 1.08 0.55 0.00 0.00 -1.03 -4.74 105.19 100.04 2gyr n GLY 99 Ca -0.08 -0.49 0.14 0.00 0.00 0.00 0.00 46.02 45.59 2gyr n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32