#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 3.01 2.02 0.05 0.00 1.70 -0.50 -4.90 118.95 120.33 2gyr s ARG 6 Ca 0.36 -1.29 -0.30 0.00 -0.47 0.00 0.00 55.73 54.02 2gyr s ARG 6 Cb -0.14 0.57 -0.05 0.00 -0.57 0.00 0.00 34.95 34.76 2gyr s ARG 6 CO 0.10 -0.94 1.08 -1.17 -1.08 0.00 0.00 175.30 173.29 2gyr s LEU 7 N -3.14 4.39 -0.00 -1.89 2.96 -1.26 -1.79 118.68 117.94 2gyr s LEU 7 Ca 0.17 1.86 0.05 0.00 -0.22 0.00 0.00 54.13 55.98 2gyr s LEU 7 Cb -0.05 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.04 2gyr s LEU 7 CO 0.10 -0.34 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.53 2gyr s ARG 8 N 0.85 2.38 -0.08 1.98 1.81 0.28 -4.94 118.95 121.23 2gyr s ARG 8 Ca 0.54 -0.80 -0.00 0.00 -1.72 0.00 0.00 55.73 53.75 2gyr s ARG 8 Cb -0.25 -2.36 0.02 0.00 -0.45 0.00 0.00 34.95 31.91 2gyr s ARG 8 CO 0.29 0.59 -0.04 0.45 -0.68 0.00 0.00 175.30 175.91 2gyr s SER 9 N -1.19 1.62 0.10 0.23 0.15 -1.26 -0.98 113.70 112.36 2gyr s SER 9 Ca 0.14 -0.17 -0.01 0.00 0.70 0.00 0.00 55.95 56.62 2gyr s SER 9 Cb -0.11 -0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 63.59 2gyr s SER 9 CO 0.04 -0.13 0.01 -1.10 1.20 0.00 0.00 173.24 173.26 2gyr s GLN 10 N 1.58 0.80 -0.21 5.44 -0.21 -1.09 -4.99 119.66 120.98 2gyr s GLN 10 Ca 0.00 -1.35 -0.08 0.00 0.02 0.00 0.00 55.36 53.95 2gyr s GLN 10 Cb -0.13 0.16 -0.04 0.00 1.00 0.00 0.00 33.01 33.99 2gyr s GLN 10 CO -0.04 -0.17 0.09 -0.51 -2.12 0.00 0.00 175.29 172.54 2gyr s LEU 11 N -3.00 3.88 0.15 2.90 1.43 -1.26 -1.28 118.68 121.50 2gyr s LEU 11 Ca 0.16 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 2gyr s LEU 11 Cb 0.07 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 2gyr s LEU 11 CO -0.04 0.12 -0.02 0.68 0.23 0.00 0.00 176.35 177.33 2gyr s VAL 12 N 0.71 0.68 0.40 -1.59 -7.23 -0.85 -4.89 120.40 107.63 2gyr s VAL 12 Ca 0.05 -1.97 -0.25 0.00 -1.81 0.00 0.00 61.98 58.00 2gyr s VAL 12 Cb -0.13 -2.01 -0.09 0.00 0.56 0.00 0.00 36.38 34.72 2gyr s VAL 12 CO 0.02 -0.58 1.16 -2.84 -0.31 0.00 0.00 175.10 172.55 2gyr s PRO 13 N -3.89 4.08 0.37 4.82 0.02 -1.26 -1.73 135.00 137.41 2gyr s PRO 13 Ca 0.21 1.82 0.09 0.00 0.02 0.00 0.00 61.00 63.14 2gyr s PRO 13 Cb 0.06 -2.68 0.73 0.00 0.02 0.00 0.00 34.50 32.62 2gyr s PRO 13 CO 0.02 -0.29 1.88 -0.24 -0.33 0.00 0.00 177.00 178.04 2gyr h VAL 14 N 2.34 1.20 0.00 3.83 3.04 -1.76 -2.72 116.25 122.19 2gyr h VAL 14 Ca -0.49 -0.90 -0.03 0.00 -1.01 0.00 0.00 66.70 64.27 2gyr h VAL 14 Cb 1.23 1.28 -0.00 0.00 -2.01 0.00 0.00 31.29 31.78 2gyr h VAL 14 CO 0.63 0.28 -0.15 -0.09 -1.01 0.00 0.00 177.57 177.22 2gyr h ARG 15 N 0.23 0.00 0.00 4.17 1.12 -1.86 -2.26 114.38 115.78 2gyr h ARG 15 Ca 0.04 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.91 2gyr h ARG 15 Cb 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.40 2gyr h ARG 15 CO 0.03 0.15 0.00 0.00 -3.11 0.00 0.00 179.97 177.04 2gyr n ALA 16 N -2.19 2.11 1.44 2.80 0.00 -1.02 -2.34 120.51 121.31 2gyr n ALA 16 Ca 0.00 -0.10 0.15 0.00 0.00 0.00 0.00 53.44 53.49 2gyr n ALA 16 Cb 0.39 -1.36 0.75 0.00 0.00 0.00 0.00 19.45 19.23 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 -1.36 0.04 -3.77 0.00 4.77 -0.85 -4.94 117.00 110.89 2gyr n LEU 17 Ca 0.09 0.26 -0.23 0.00 -0.03 0.00 0.00 56.01 56.09 2gyr n LEU 17 Cb 0.21 -0.27 0.02 0.00 -2.33 0.00 0.00 43.42 41.04 2gyr n LEU 17 CO 0.18 0.01 -0.12 0.61 -1.33 0.00 0.00 177.39 176.74 2gyr n GLY 18 N 1.28 -0.35 0.08 -0.72 0.00 -0.99 -4.88 105.19 99.61 2gyr n GLY 18 Ca 0.14 0.17 0.01 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.28 2.13 -0.52 0.99 4.77 -1.26 -4.99 117.00 113.83 2gyr n LEU 19 Ca -0.28 -2.07 -0.06 0.00 -0.03 0.00 0.00 56.01 53.57 2gyr n LEU 19 Cb 0.67 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.69 2gyr n LEU 19 CO 0.70 0.54 -0.06 0.61 -1.33 0.00 0.00 177.39 177.85 2gyr n GLY 20 N -0.45 0.56 3.50 -0.72 0.00 -1.26 -5.04 105.19 101.78 2gyr n GLY 20 Ca 0.02 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.24 2.16 0.03 1.61 3.76 -1.26 -5.15 115.29 114.19 2gyr s HIS 21 Ca 0.00 -0.78 0.01 0.00 -0.15 0.00 0.00 55.06 54.14 2gyr s HIS 21 Cb 0.00 -1.40 -0.02 0.00 1.11 0.00 0.00 32.58 32.27 2gyr s HIS 21 CO 0.00 0.24 -0.05 1.03 -0.85 0.00 0.00 174.74 175.11 2gyr s ARG 22 N -3.78 0.41 -0.29 1.40 0.52 -1.26 -4.07 118.95 111.88 2gyr s ARG 22 Ca 0.34 -0.58 -0.16 0.00 -0.52 0.00 0.00 55.73 54.81 2gyr s ARG 22 Cb 0.08 -0.17 0.14 0.00 0.52 0.00 0.00 34.95 35.52 2gyr s ARG 22 CO 0.15 0.03 0.96 0.45 0.02 0.00 0.00 175.30 176.91 2gyr s SER 23 N -1.22 -0.54 0.00 0.23 0.15 -1.26 -3.07 113.70 107.99 2gyr s SER 23 Ca -0.09 0.85 -0.04 0.00 0.70 0.00 0.00 55.95 57.37 2gyr s SER 23 Cb -0.08 1.25 -0.17 0.00 -1.71 0.00 0.00 66.02 65.31 2gyr s SER 23 CO -0.00 -0.13 2.58 -0.90 1.20 0.00 0.00 173.24 175.99 2gyr n ASP 24 N 3.82 3.65 -3.75 5.45 3.85 -1.26 -4.40 116.55 123.91 2gyr n ASP 24 Ca -0.18 -2.17 -0.16 0.00 -0.71 0.00 0.00 54.79 51.57 2gyr n ASP 24 Cb 0.57 -0.97 -0.16 0.00 -1.35 0.00 0.00 41.12 39.21 2gyr n ASP 24 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 2gyr s GLU 25 N 1.53 -0.03 0.30 0.11 2.12 -1.26 -5.11 118.70 116.36 2gyr s GLU 25 Ca 0.43 0.22 -0.10 0.00 0.36 0.00 0.00 54.97 55.88 2gyr s GLU 25 Cb 0.21 -0.31 -0.07 0.00 0.26 0.00 0.00 34.13 34.21 2gyr s GLU 25 CO 0.00 -0.20 0.64 -0.51 -0.54 0.00 0.00 175.26 174.65 2gyr s LEU 26 N 1.28 4.06 0.03 2.70 1.43 -1.26 -3.40 118.68 123.52 2gyr s LEU 26 Ca -0.06 1.01 0.02 0.00 -1.03 0.00 0.00 54.13 54.06 2gyr s LEU 26 Cb -0.13 -3.81 -0.02 0.00 0.03 0.00 0.00 46.19 42.26 2gyr s LEU 26 CO -0.03 -0.19 -0.07 0.68 0.23 0.00 0.00 176.35 176.97 2gyr s VAL 27 N -2.02 0.46 0.46 -1.59 -7.23 -0.70 -4.90 120.40 104.88 2gyr s VAL 27 Ca 0.49 -0.89 -0.22 0.00 -1.81 0.00 0.00 61.98 59.55 2gyr s VAL 27 Cb -0.11 -0.51 -0.07 0.00 0.56 0.00 0.00 36.38 36.25 2gyr s VAL 27 CO 0.24 -0.30 1.14 -0.13 -0.31 0.00 0.00 175.10 175.73 2gyr s ARG 28 N -1.28 3.76 -0.22 4.82 0.52 -1.26 -2.01 118.95 123.28 2gyr s ARG 28 Ca -0.08 1.69 -0.04 0.00 -0.52 0.00 0.00 55.73 56.78 2gyr s ARG 28 Cb -0.08 -2.35 0.11 0.00 0.52 0.00 0.00 34.95 33.15 2gyr s ARG 28 CO 0.00 -0.53 0.34 0.12 0.02 0.00 0.00 175.30 175.25 2gyr s PHE 29 N -1.62 -0.67 0.01 -0.53 5.36 -0.40 -4.93 117.98 115.20 2gyr s PHE 29 Ca 0.64 0.79 -0.00 0.00 -0.96 0.00 0.00 56.93 57.40 2gyr s PHE 29 Cb -0.26 -0.03 -0.04 0.00 -0.34 0.00 0.00 43.02 42.34 2gyr s PHE 29 CO 0.32 -0.64 0.10 1.03 -1.46 0.00 0.00 175.22 174.57 2gyr s ARG 30 N 2.50 3.11 0.35 10.12 0.52 -1.26 -2.69 118.95 131.60 2gyr s ARG 30 Ca 0.09 -0.49 -0.00 0.00 -0.52 0.00 0.00 55.73 54.81 2gyr s ARG 30 Cb -0.15 -2.88 -0.00 0.00 0.52 0.00 0.00 34.95 32.44 2gyr s ARG 30 CO -0.14 0.64 0.45 -0.59 0.02 0.00 0.00 175.30 175.68 2gyr s PHE 31 N -1.24 1.22 0.07 -0.53 -0.12 -0.15 -1.40 117.98 115.82 2gyr s PHE 31 Ca 0.25 -1.39 0.06 0.00 -0.05 0.00 0.00 56.93 55.80 2gyr s PHE 31 Cb -0.12 -0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.04 2gyr s PHE 31 CO 0.16 -1.12 -0.09 0.00 -0.05 0.00 0.00 175.22 174.12 2gyr s SER 33 N -1.89 -0.24 0.00 0.00 1.04 -0.74 -4.86 113.70 107.01 2gyr s SER 33 Ca 0.20 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.93 2gyr s SER 33 Cb -0.11 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2gyr s SER 33 CO 0.11 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2gyr n GLY 34 N 0.88 2.34 3.79 7.32 0.00 -1.24 -1.42 105.19 116.86 2gyr n GLY 34 Ca -0.07 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 43.70 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 6.78 0.00 1.61 0.15 -1.23 -4.25 113.70 116.76 2gyr s SER 35 Ca 0.00 1.98 0.00 0.00 0.70 0.00 0.00 55.95 58.63 2gyr s SER 35 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2gyr s SER 35 CO 0.00 -0.47 0.71 0.00 1.20 0.00 0.00 173.24 174.68 2gyr n ARG 37 N -0.25 0.07 0.02 0.00 1.85 -1.26 0.23 116.66 117.32 2gyr n ARG 37 Ca 0.00 0.51 -0.09 0.00 -1.00 0.00 0.00 57.85 57.27 2gyr n ARG 37 Cb 0.30 -1.90 -0.13 0.00 -1.05 0.00 0.00 32.46 29.68 2gyr n ARG 37 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2gyr h ARG 38 N 0.00 0.03 -0.47 2.89 3.08 -2.00 -3.21 114.38 114.71 2gyr h ARG 38 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2gyr h ARG 38 Cb 0.36 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2gyr h ARG 38 CO 0.00 0.76 0.00 0.00 -1.07 0.00 0.00 179.97 179.66 2gyr n ALA 39 N -2.50 2.61 -1.76 0.04 0.00 0.13 -4.91 120.51 114.13 2gyr n ALA 39 Ca -0.11 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.57 2gyr n ALA 39 Cb 1.01 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.62 4.13 0.63 0.00 0.52 -1.17 -4.76 118.95 116.69 2gyr s ARG 40 Ca 0.11 2.57 -0.05 0.00 -0.52 0.00 0.00 55.73 57.85 2gyr s ARG 40 Cb 0.07 -3.07 0.04 0.00 0.52 0.00 0.00 34.95 32.51 2gyr s ARG 40 CO 0.06 -0.71 0.93 -1.54 0.02 0.00 0.00 175.30 174.05 2gyr s SER 41 N 1.06 5.15 0.38 0.23 1.04 -1.26 -4.92 113.70 115.38 2gyr s SER 41 Ca 0.72 0.44 0.05 0.00 0.48 0.00 0.00 55.95 57.64 2gyr s SER 41 Cb -0.49 -1.25 0.76 0.00 0.10 0.00 0.00 66.02 65.15 2gyr s SER 41 CO 0.35 -1.33 2.03 -0.65 0.98 0.00 0.00 173.24 174.61 2gyr h PRO 42 N -0.32 0.68 -0.67 4.02 0.11 -2.01 0.30 132.00 134.10 2gyr h PRO 42 Ca -0.44 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 2gyr h PRO 42 Cb 1.29 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 2gyr h PRO 42 CO 0.59 0.45 0.13 1.25 -0.21 0.00 0.00 178.00 180.21 2gyr h HIS 43 N 0.70 1.16 -0.58 0.65 -0.00 -1.99 -2.74 115.15 112.34 2gyr h HIS 43 Ca 0.21 -0.15 0.02 0.00 -0.00 0.00 0.00 60.37 60.45 2gyr h HIS 43 Cb -0.02 -0.32 -0.03 0.00 -0.00 0.00 0.00 27.41 27.03 2gyr h HIS 43 CO -0.00 0.96 0.37 -0.44 -0.00 0.00 0.00 177.93 178.82 2gyr h ASP 44 N 1.03 0.61 -0.22 3.26 3.32 -1.29 0.68 116.42 123.83 2gyr h ASP 44 Ca 0.21 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 2gyr h ASP 44 Cb 0.41 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2gyr h ASP 44 CO 0.01 0.44 0.08 -0.07 -1.72 0.00 0.00 179.24 177.97 2gyr h LEU 45 N 0.74 0.31 -1.36 1.55 3.38 -1.24 -0.76 115.31 117.93 2gyr h LEU 45 Ca 0.23 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2gyr h LEU 45 Cb -0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2gyr h LEU 45 CO -0.08 0.40 -0.12 0.28 0.09 0.00 0.00 178.44 179.02 2gyr h SER 46 N 0.19 0.27 0.23 -0.43 0.02 -1.25 0.78 113.55 113.36 2gyr h SER 46 Ca 0.07 -0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.83 2gyr h SER 46 Cb 0.20 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2gyr h SER 46 CO -0.00 0.42 -0.51 0.25 -1.14 0.00 0.00 176.83 175.84 2gyr h LEU 47 N 0.27 0.34 0.12 5.07 5.85 -0.57 0.69 115.31 127.07 2gyr h LEU 47 Ca 0.05 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2gyr h LEU 47 Cb 0.38 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2gyr h LEU 47 CO 0.02 0.80 -0.06 0.00 -0.34 0.00 0.00 178.44 178.86 2gyr h ALA 48 N 1.21 -0.16 -0.99 1.25 0.00 -0.46 -2.57 119.26 117.55 2gyr h ALA 48 Ca 0.01 -0.25 0.16 0.00 0.00 0.00 0.00 54.91 54.83 2gyr h ALA 48 Cb 0.99 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 2gyr h ALA 48 CO 0.08 -0.28 0.62 1.03 0.00 0.00 0.00 179.25 180.70 2gyr h SER 49 N -0.78 0.81 -0.09 0.00 0.87 -0.82 0.41 113.55 113.95 2gyr h SER 49 Ca -0.02 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 2gyr h SER 49 Cb 0.55 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2gyr h SER 49 CO 0.03 0.36 0.00 -0.07 -0.53 0.00 0.00 176.83 176.62 2gyr h LEU 50 N 0.83 0.16 -0.29 2.23 3.38 -0.87 0.23 115.31 120.98 2gyr h LEU 50 Ca 0.53 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 58.22 2gyr h LEU 50 Cb 0.73 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 2gyr h LEU 50 CO -0.30 0.43 0.10 -0.07 0.09 0.00 0.00 178.44 178.69 2gyr h LEU 51 N -0.11 0.11 -0.17 1.67 3.38 -0.88 -0.87 115.31 118.43 2gyr h LEU 51 Ca 0.03 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.07 2gyr h LEU 51 Cb 0.35 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 2gyr h LEU 51 CO 0.00 0.10 -0.13 1.23 0.09 0.00 0.00 178.44 179.73 2gyr h GLY 52 N 0.23 -0.01 1.79 0.83 0.00 0.05 0.83 103.07 106.79 2gyr h GLY 52 Ca 0.13 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2gyr h GLY 52 CO -0.13 -0.14 0.00 0.00 0.00 0.00 0.00 176.54 176.26 2gyr n ALA 53 N -2.56 1.55 -0.90 3.60 0.00 0.80 -4.79 120.51 118.20 2gyr n ALA 53 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2gyr n ALA 53 Cb 0.20 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.45 0.64 0.00 0.00 0.00 0.29 -4.85 105.19 100.82 2gyr n GLY 54 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 1.00 1.68 -3.29 4.61 0.00 -0.57 -4.51 120.51 119.43 2gyr n ALA 55 Ca 0.00 -0.05 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 2gyr n ALA 55 Cb 0.03 -1.22 -0.16 0.00 0.00 0.00 0.00 19.45 18.10 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 -2.84 2.29 -0.21 0.00 1.43 -1.19 -4.99 118.68 113.17 2gyr s LEU 56 Ca 0.09 -0.50 -0.07 0.00 -1.03 0.00 0.00 54.13 52.61 2gyr s LEU 56 Cb 0.09 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 2gyr s LEU 56 CO 0.23 0.14 0.07 -0.13 0.23 0.00 0.00 176.35 176.89 2gyr s ARG 57 N 0.48 3.86 -0.21 1.70 1.81 -1.26 -4.78 118.95 120.55 2gyr s ARG 57 Ca -0.13 -0.39 -0.19 0.00 -1.72 0.00 0.00 55.73 53.29 2gyr s ARG 57 Cb -0.17 -3.25 -0.08 0.00 -0.45 0.00 0.00 34.95 31.00 2gyr s ARG 57 CO 0.05 0.11 0.76 -2.30 -0.68 0.00 0.00 175.30 173.25 2gyr n PRO 58 N 4.02 0.00 -1.62 3.54 -0.02 -1.26 -4.95 135.00 134.72 2gyr n PRO 58 Ca -0.16 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.00 2gyr n PRO 58 Cb 0.52 -0.63 0.05 0.00 -0.02 0.00 0.00 33.50 33.43 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 1.79 2.76 -0.40 0.52 0.04 -1.26 -4.86 135.00 133.59 2gyr s PRO 59 Ca 0.47 1.18 -0.41 0.00 0.04 0.00 0.00 61.00 62.28 2gyr s PRO 59 Cb -0.63 -1.96 -0.16 0.00 0.04 0.00 0.00 34.50 31.80 2gyr s PRO 59 CO 0.31 -1.25 2.02 -0.35 0.04 0.00 0.00 177.00 177.77 2gyr n PRO 60 N -2.85 0.61 0.00 0.56 -0.04 -1.26 -4.54 135.00 127.48 2gyr n PRO 60 Ca 0.09 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2gyr n PRO 60 Cb 0.53 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 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 6.12 -0.94 3.52 0.55 0.00 -1.26 -4.98 105.19 108.19 2gyr n GLY 61 Ca 0.42 -1.52 -0.49 0.00 0.00 0.00 0.00 46.02 44.43 2gyr n GLY 61 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gyr n SER 62 N 0.29 0.40 -4.71 1.61 3.41 -1.26 -4.96 113.62 108.40 2gyr n SER 62 Ca 0.00 1.15 -0.31 0.00 -0.26 0.00 0.00 58.87 59.44 2gyr n SER 62 Cb 0.00 -1.11 0.14 0.00 -0.26 0.00 0.00 64.21 62.98 2gyr n SER 62 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2gyr s ARG 63 N -0.68 1.50 0.15 4.33 3.52 -1.26 -4.80 118.95 121.71 2gyr s ARG 63 Ca 0.71 1.48 -0.06 0.00 -0.13 0.00 0.00 55.73 57.73 2gyr s ARG 63 Cb -0.91 -1.79 -0.06 0.00 -1.56 0.00 0.00 34.95 30.63 2gyr s ARG 63 CO 0.55 -2.26 0.40 -1.25 -0.81 0.00 0.00 175.30 171.93 2gyr s PRO 64 N -4.61 3.65 0.33 5.12 0.04 -1.26 -5.09 135.00 133.18 2gyr s PRO 64 Ca 0.66 -0.03 -0.21 0.00 0.04 0.00 0.00 61.00 61.47 2gyr s PRO 64 Cb -0.22 -2.84 -0.10 0.00 0.04 0.00 0.00 34.50 31.38 2gyr s PRO 64 CO 0.56 0.46 0.85 0.14 0.04 0.00 0.00 177.00 179.05 2gyr s VAL 65 N -1.65 4.44 -0.45 -0.36 -7.23 -1.26 -4.97 120.40 108.91 2gyr s VAL 65 Ca 0.41 1.43 0.04 0.00 -1.81 0.00 0.00 61.98 62.05 2gyr s VAL 65 Cb -0.12 -3.78 0.54 0.00 0.56 0.00 0.00 36.38 33.57 2gyr s VAL 65 CO 0.24 -0.04 1.74 -1.54 -0.31 0.00 0.00 175.10 175.19 2gyr n SER 66 N 0.08 4.69 0.00 4.85 3.41 -1.26 -4.97 113.62 120.41 2gyr n SER 66 Ca 0.03 -3.73 0.00 0.00 -0.26 0.00 0.00 58.87 54.90 2gyr n SER 66 Cb 0.52 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 2gyr n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gyr n GLN 67 N -1.02 0.00 -2.11 4.33 10.64 -1.26 -4.78 117.38 123.18 2gyr n GLN 67 Ca 0.52 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 55.33 2gyr n GLN 67 Cb 1.12 0.00 0.02 0.00 -0.86 0.00 0.00 30.24 30.52 2gyr n GLN 67 CO 0.00 0.00 0.00 -2.14 -1.83 0.00 0.00 177.06 173.09 2gyr s PRO 68 N -2.00 3.12 -0.10 2.61 0.02 -1.26 -5.01 135.00 132.39 2gyr s PRO 68 Ca 0.00 1.74 -0.09 0.00 0.02 0.00 0.00 61.00 62.67 2gyr s PRO 68 Cb 0.00 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 2gyr s PRO 68 CO 0.00 -1.06 0.20 0.00 -0.33 0.00 0.00 177.00 175.80 2gyr s ARG 71 N 4.26 0.48 0.86 0.00 1.81 -1.03 -4.63 118.95 120.71 2gyr s ARG 71 Ca 0.72 -0.66 -0.11 0.00 -1.72 0.00 0.00 55.73 53.96 2gyr s ARG 71 Cb -0.30 0.19 0.11 0.00 -0.45 0.00 0.00 34.95 34.50 2gyr s ARG 71 CO 0.28 -0.11 1.15 -1.25 -0.68 0.00 0.00 175.30 174.69 2gyr s PRO 72 N -2.06 1.42 0.00 3.54 0.04 -1.26 -2.98 135.00 133.70 2gyr s PRO 72 Ca -0.10 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.45 2gyr s PRO 72 Cb -0.05 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2gyr s PRO 72 CO -0.02 -2.33 0.11 0.25 0.04 0.00 0.00 177.00 175.05 2gyr n THR 73 N -3.88 0.00 -3.51 1.26 -2.24 -0.66 -4.88 114.28 100.38 2gyr n THR 73 Ca 0.12 -0.14 -0.16 0.00 -2.27 0.00 0.00 64.05 61.60 2gyr n THR 73 Cb 0.52 1.59 -0.05 0.00 -2.10 0.00 0.00 70.33 70.28 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 -0.05 1.05 0.29 -0.78 3.52 -1.26 -4.99 118.95 116.73 2gyr s ARG 74 Ca 0.00 0.12 0.04 0.00 -0.13 0.00 0.00 55.73 55.76 2gyr s ARG 74 Cb 0.00 0.50 -0.03 0.00 -1.56 0.00 0.00 34.95 33.85 2gyr s ARG 74 CO 0.00 -0.36 0.24 0.71 -0.81 0.00 0.00 175.30 175.08 2gyr s TYR 75 N -1.63 1.52 0.13 5.12 2.02 -1.26 -1.72 117.35 121.53 2gyr s TYR 75 Ca -0.08 -1.55 -0.22 0.00 -0.37 0.00 0.00 57.07 54.86 2gyr s TYR 75 Cb -0.00 -0.63 0.06 0.00 -0.40 0.00 0.00 41.96 40.99 2gyr s TYR 75 CO 0.05 -0.81 0.55 -1.83 -1.57 0.00 0.00 175.55 171.95 2gyr s GLU 76 N -3.67 1.20 0.82 -0.62 -1.05 -0.73 -4.83 118.70 109.83 2gyr s GLU 76 Ca 0.40 -0.48 -0.11 0.00 -0.15 0.00 0.00 54.97 54.63 2gyr s GLU 76 Cb 0.04 0.55 0.08 0.00 -0.44 0.00 0.00 34.13 34.36 2gyr s GLU 76 CO 0.22 -0.50 1.09 0.00 0.95 0.00 0.00 175.26 177.02 2gyr s ALA 77 N -3.56 2.01 -0.13 -0.84 0.00 -1.26 -2.49 121.76 115.49 2gyr s ALA 77 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.01 2gyr s ALA 77 Cb -0.00 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.93 2gyr s ALA 77 CO -0.11 -1.95 -0.14 0.08 0.00 0.00 0.00 175.76 173.64 2gyr s VAL 78 N -2.97 1.52 0.19 0.00 1.01 -0.03 -4.74 120.40 115.38 2gyr s VAL 78 Ca 0.62 -0.62 0.11 0.00 0.00 0.00 0.00 61.98 62.08 2gyr s VAL 78 Cb -0.17 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 2gyr s VAL 78 CO 0.56 0.45 -0.22 -0.94 0.00 0.00 0.00 175.10 174.95 2gyr s SER 79 N 1.29 3.58 0.26 3.32 1.04 -1.26 -1.25 113.70 120.68 2gyr s SER 79 Ca 0.00 -0.80 -0.20 0.00 0.48 0.00 0.00 55.95 55.43 2gyr s SER 79 Cb -0.14 -0.34 0.02 0.00 0.10 0.00 0.00 66.02 65.67 2gyr s SER 79 CO -0.07 0.12 0.67 0.72 0.98 0.00 0.00 173.24 175.67 2gyr s PHE 80 N -1.63 -0.15 -0.35 5.02 -0.12 -1.08 -4.96 117.98 114.71 2gyr s PHE 80 Ca 0.21 -0.28 -0.15 0.00 -0.05 0.00 0.00 56.93 56.67 2gyr s PHE 80 Cb -0.08 0.62 -0.01 0.00 -0.63 0.00 0.00 43.02 42.92 2gyr s PHE 80 CO 0.10 -1.17 0.33 -1.64 -0.05 0.00 0.00 175.22 172.80 2gyr s MET 81 N -3.92 3.47 1.22 1.99 -1.94 -1.26 -1.36 119.30 117.50 2gyr s MET 81 Ca 0.12 -0.55 -0.19 0.00 -1.71 0.00 0.00 55.69 53.36 2gyr s MET 81 Cb -0.05 -3.83 0.29 0.00 2.01 0.00 0.00 34.83 33.25 2gyr s MET 81 CO 0.05 -0.54 1.08 0.16 -0.01 0.00 0.00 175.02 175.76 2gyr s ASP 82 N 1.73 0.74 0.29 3.03 -4.77 -0.50 -4.68 116.67 112.52 2gyr s ASP 82 Ca 0.10 0.70 0.04 0.00 -3.30 0.00 0.00 52.55 50.10 2gyr s ASP 82 Cb -0.17 -0.99 0.71 0.00 -1.09 0.00 0.00 42.92 41.38 2gyr s ASP 82 CO 0.11 -4.24 1.75 0.58 0.70 0.00 0.00 175.17 174.07 2gyr h VAL 83 N -2.66 0.63 -0.13 2.11 2.07 -1.88 0.65 116.25 117.04 2gyr h VAL 83 Ca -0.46 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 2gyr h VAL 83 Cb 1.30 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 2gyr h VAL 83 CO 0.35 0.11 0.05 -3.20 0.02 0.00 0.00 177.57 174.91 2gyr n ASN 84 N -4.88 2.45 -3.37 0.57 5.15 -1.26 -4.83 115.26 109.09 2gyr n ASN 84 Ca 0.22 -2.21 -0.22 0.00 -0.60 0.00 0.00 54.58 51.77 2gyr n ASN 84 Cb 0.59 -0.54 -0.02 0.00 -0.53 0.00 0.00 39.78 39.28 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 0.17 -3.02 -4.69 1.20 3.41 0.23 -4.95 113.62 105.96 2gyr n SER 85 Ca 0.07 -0.36 -0.36 0.00 -0.26 0.00 0.00 58.87 57.96 2gyr n SER 85 Cb 0.55 -2.54 -0.08 0.00 -0.26 0.00 0.00 64.21 61.87 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 -2.82 5.34 0.46 6.66 2.01 -1.23 -4.73 115.64 121.33 2gyr s THR 86 Ca 0.39 0.32 -0.24 0.00 0.31 0.00 0.00 61.69 62.47 2gyr s THR 86 Cb -0.21 -3.55 -0.09 0.00 0.01 0.00 0.00 72.50 68.66 2gyr s THR 86 CO 0.48 0.36 1.24 1.87 -0.69 0.00 0.00 174.62 177.88 2gyr n TRP 87 N 3.99 1.97 -4.07 4.92 -0.00 -1.26 -1.41 117.44 121.56 2gyr n TRP 87 Ca -0.14 0.49 -0.10 0.00 -0.00 0.00 0.00 57.50 57.75 2gyr n TRP 87 Cb 0.52 -2.34 -0.08 0.00 -0.00 0.00 0.00 31.31 29.41 2gyr n TRP 87 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 2gyr s ARG 88 N -2.34 1.30 -0.26 5.87 1.81 -0.47 -4.87 118.95 119.99 2gyr s ARG 88 Ca 0.64 -1.38 -0.22 0.00 -1.72 0.00 0.00 55.73 53.04 2gyr s ARG 88 Cb -0.49 0.36 0.07 0.00 -0.45 0.00 0.00 34.95 34.44 2gyr s ARG 88 CO 0.56 -0.48 0.68 -0.08 -0.68 0.00 0.00 175.30 175.29 2gyr s THR 89 N -4.06 -0.00 -0.26 0.02 -1.32 -1.26 -2.65 115.64 106.11 2gyr s THR 89 Ca 0.27 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.78 2gyr s THR 89 Cb 0.03 -0.95 0.07 0.00 -1.51 0.00 0.00 72.50 70.15 2gyr s THR 89 CO 0.08 0.00 -0.06 -0.69 -2.21 0.00 0.00 174.62 171.74 2gyr s VAL 90 N 0.56 1.87 0.87 5.08 1.01 -0.38 -4.95 120.40 124.46 2gyr s VAL 90 Ca -0.02 -1.56 -0.11 0.00 0.00 0.00 0.00 61.98 60.30 2gyr s VAL 90 Cb -0.05 -2.11 0.11 0.00 0.00 0.00 0.00 36.38 34.33 2gyr s VAL 90 CO -0.02 -0.16 1.09 -1.81 0.00 0.00 0.00 175.10 174.20 2gyr s ASP 91 N 1.21 3.70 -0.78 3.32 1.01 -1.26 -0.85 116.67 123.02 2gyr s ASP 91 Ca -0.04 1.61 0.00 0.00 0.71 0.00 0.00 52.55 54.82 2gyr s ASP 91 Cb -0.19 -2.28 0.00 0.00 1.01 0.00 0.00 42.92 41.45 2gyr s ASP 91 CO -0.07 -2.51 0.00 0.54 0.21 0.00 0.00 175.17 173.34 2gyr n ARG 92 N -3.81 -1.74 0.02 8.23 1.74 -1.20 -4.78 116.66 115.12 2gyr n ARG 92 Ca 0.08 0.68 -0.18 0.00 -0.77 0.00 0.00 57.85 57.65 2gyr n ARG 92 Cb 0.54 -4.92 -0.13 0.00 -1.02 0.00 0.00 32.46 26.93 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 0.45 -9.12 0.55 3.38 -1.61 -3.44 115.31 105.52 2gyr h LEU 93 Ca -0.15 -0.87 -0.61 0.00 0.09 0.00 0.00 57.88 56.33 2gyr h LEU 93 Cb 0.97 -0.14 -0.15 0.00 0.09 0.00 0.00 40.66 41.43 2gyr h LEU 93 CO 0.22 1.28 -0.54 -0.55 0.09 0.00 0.00 178.44 178.94 2gyr s SER 94 N -6.81 5.78 0.97 -0.43 0.15 -1.04 -4.93 113.70 107.39 2gyr s SER 94 Ca -0.14 0.11 -0.12 0.00 0.70 0.00 0.00 55.95 56.51 2gyr s SER 94 Cb 0.02 -2.00 0.17 0.00 -1.71 0.00 0.00 66.02 62.50 2gyr s SER 94 CO 0.82 0.16 1.08 0.00 1.20 0.00 0.00 173.24 176.50 2gyr s ALA 95 N 0.43 1.00 0.00 5.45 0.00 -0.49 -1.77 121.76 126.38 2gyr s ALA 95 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.01 2gyr s ALA 95 Cb -0.12 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2gyr s ALA 95 CO -0.00 -2.82 0.10 0.25 0.00 0.00 0.00 175.76 173.30 2gyr n THR 96 N -4.21 0.00 -3.56 0.00 -2.24 -0.70 -4.49 114.28 99.08 2gyr n THR 96 Ca 0.07 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.75 2gyr n THR 96 Cb 0.55 1.44 -0.04 0.00 -2.10 0.00 0.00 70.33 70.18 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 0.00 -1.91 0.29 6.98 0.00 -1.25 -4.96 121.76 120.90 2gyr s ALA 97 Ca 0.00 1.47 0.03 0.00 0.00 0.00 0.00 51.96 53.46 2gyr s ALA 97 Cb 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 2gyr s ALA 97 CO 0.00 -0.40 0.19 0.00 0.00 0.00 0.00 175.76 175.55 2gyr n GLY 99 N -0.52 1.11 0.65 0.00 0.00 -1.16 -4.87 105.19 100.41 2gyr n GLY 99 Ca 0.03 -0.72 0.13 0.00 0.00 0.00 0.00 46.02 45.47 2gyr n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32