#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eak s VAL 2 N 0.00 3.14 -0.06 5.09 1.01 -1.26 -4.42 120.40 123.90 3eak s VAL 2 Ca 0.00 0.84 -0.01 0.00 0.00 0.00 0.00 61.98 62.81 3eak s VAL 2 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 3eak s VAL 2 CO 0.00 0.08 0.01 -1.58 0.00 0.00 0.00 175.10 173.61 3eak s GLN 3 N 0.85 2.95 -0.04 2.72 2.00 0.13 -4.88 119.66 123.39 3eak s GLN 3 Ca 0.64 -0.46 0.06 0.00 -2.00 0.00 0.00 55.36 53.60 3eak s GLN 3 Cb -0.38 -2.78 -0.01 0.00 0.80 0.00 0.00 33.01 30.64 3eak s GLN 3 CO 0.32 0.68 -0.22 -0.51 -0.50 0.00 0.00 175.29 175.06 3eak s LEU 4 N -1.14 2.02 -0.15 3.68 1.43 -1.26 -0.78 118.68 122.49 3eak s LEU 4 Ca 0.16 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 3eak s LEU 4 Cb -0.11 -1.22 0.04 0.00 0.03 0.00 0.00 46.19 44.93 3eak s LEU 4 CO 0.05 0.23 -0.01 -0.69 0.23 0.00 0.00 176.35 176.16 3eak s VAL 5 N -0.21 0.75 0.52 -1.59 1.01 -0.29 -4.14 120.40 116.45 3eak s VAL 5 Ca -0.01 -0.41 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 3eak s VAL 5 Cb -0.12 -1.01 -0.07 0.00 0.00 0.00 0.00 36.38 35.17 3eak s VAL 5 CO 0.02 0.07 1.00 -1.61 0.00 0.00 0.00 175.10 174.58 3eak s GLU 6 N 1.79 3.84 0.09 2.72 8.01 -1.26 -1.64 118.70 132.24 3eak s GLU 6 Ca 0.01 1.07 -0.18 0.00 0.01 0.00 0.00 54.97 55.89 3eak s GLU 6 Cb -0.15 -2.12 0.04 0.00 -4.31 0.00 0.00 34.13 27.59 3eak s GLU 6 CO -0.07 -0.37 0.42 0.45 0.01 0.00 0.00 175.26 175.71 3eak s SER 7 N -2.77 -0.28 0.00 -0.19 0.15 0.01 -4.86 113.70 105.75 3eak s SER 7 Ca 0.61 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.11 3eak s SER 7 Cb -0.12 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 3eak s SER 7 CO 0.29 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.56 3eak n GLY 8 N 0.08 0.25 3.73 9.45 0.00 -1.26 -1.26 105.19 116.18 3eak n GLY 8 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 3eak n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3eak s GLY 9 N -1.93 2.10 0.00 -0.02 0.00 -1.26 -4.82 107.32 101.39 3eak s GLY 9 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.39 3eak s GLY 9 CO 0.00 1.05 0.00 0.61 0.00 0.00 0.00 173.10 174.76 3eak n GLY 10 N -0.09 -1.22 3.74 0.20 0.00 0.03 -4.90 105.19 102.95 3eak n GLY 10 Ca 0.12 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 3eak n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3eak s LEU 11 N 0.00 4.29 0.02 0.99 2.96 -1.26 -1.22 118.68 124.47 3eak s LEU 11 Ca 0.00 0.74 0.01 0.00 -0.22 0.00 0.00 54.13 54.66 3eak s LEU 11 Cb 0.00 -2.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.10 3eak s LEU 11 CO 0.00 0.08 -0.05 0.68 -1.32 0.00 0.00 176.35 175.74 3eak s VAL 12 N 0.32 0.35 0.34 1.68 -7.23 -0.44 -4.97 120.40 110.45 3eak s VAL 12 Ca 0.23 -0.76 -0.26 0.00 -1.81 0.00 0.00 61.98 59.38 3eak s VAL 12 Cb -0.15 -0.41 -0.10 0.00 0.56 0.00 0.00 36.38 36.28 3eak s VAL 12 CO 0.09 -0.27 0.96 -1.10 -0.31 0.00 0.00 175.10 174.46 3eak s GLN 13 N -1.10 4.51 0.30 4.82 -0.21 -1.26 -0.94 119.66 125.78 3eak s GLN 13 Ca -0.08 1.35 -0.29 0.00 0.02 0.00 0.00 55.36 56.36 3eak s GLN 13 Cb -0.07 -2.74 -0.13 0.00 1.00 0.00 0.00 33.01 31.07 3eak s GLN 13 CO -0.00 0.20 1.30 -0.35 -2.12 0.00 0.00 175.29 174.32 3eak n PRO 14 N 0.41 2.01 0.00 2.91 -0.04 -1.26 -1.03 135.00 138.00 3eak n PRO 14 Ca 0.03 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 3eak n PRO 14 Cb 0.50 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 3eak n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3eak n GLY 15 N 1.27 2.11 2.29 0.55 0.00 0.13 -4.94 105.19 106.59 3eak n GLY 15 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 3eak n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3eak n GLY 16 N -2.00 -1.57 3.43 -0.02 0.00 -0.20 -3.93 105.19 100.90 3eak n GLY 16 Ca 0.00 -1.66 -0.21 0.00 0.00 0.00 0.00 46.02 44.15 3eak n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3eak s SER 17 N -3.82 2.71 -0.24 1.61 0.01 -1.26 -1.93 113.70 110.79 3eak s SER 17 Ca 0.45 -1.21 -0.27 0.00 1.31 0.00 0.00 55.95 56.24 3eak s SER 17 Cb -0.02 -0.16 0.11 0.00 0.21 0.00 0.00 66.02 66.17 3eak s SER 17 CO 0.32 -0.37 0.97 -0.22 0.41 0.00 0.00 173.24 174.35 3eak s LEU 18 N -3.44 -0.47 -0.11 2.44 2.96 -0.59 -5.00 118.68 114.47 3eak s LEU 18 Ca 0.30 0.80 0.02 0.00 -0.22 0.00 0.00 54.13 55.03 3eak s LEU 18 Cb 0.04 1.98 -0.01 0.00 0.50 0.00 0.00 46.19 48.70 3eak s LEU 18 CO 0.12 -0.24 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.62 3eak s ARG 19 N -0.17 3.12 0.05 1.98 0.52 -1.26 -0.44 118.95 122.74 3eak s ARG 19 Ca 0.01 -0.75 0.04 0.00 -0.52 0.00 0.00 55.73 54.51 3eak s ARG 19 Cb -0.04 -2.48 -0.04 0.00 0.52 0.00 0.00 34.95 32.92 3eak s ARG 19 CO -0.03 0.28 -0.05 -0.51 0.02 0.00 0.00 175.30 175.01 3eak s LEU 20 N 0.16 3.25 0.22 2.53 1.43 0.13 -4.71 118.68 121.68 3eak s LEU 20 Ca -0.09 -0.20 0.08 0.00 -1.03 0.00 0.00 54.13 52.89 3eak s LEU 20 Cb -0.15 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 3eak s LEU 20 CO 0.06 0.23 -0.14 -0.94 0.23 0.00 0.00 176.35 175.78 3eak s SER 21 N -1.87 2.66 -0.21 2.29 1.04 -0.39 -1.02 113.70 116.21 3eak s SER 21 Ca 0.21 -1.04 -0.04 0.00 0.48 0.00 0.00 55.95 55.56 3eak s SER 21 Cb -0.11 -0.15 0.09 0.00 0.10 0.00 0.00 66.02 65.95 3eak s SER 21 CO 0.12 -0.17 0.21 0.00 0.98 0.00 0.00 173.24 174.38 3eak s ALA 23 N 2.31 3.52 -0.04 0.00 0.00 -0.66 -0.78 121.76 126.11 3eak s ALA 23 Ca 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 3eak s ALA 23 Cb -0.16 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 3eak s ALA 23 CO -0.13 0.10 0.02 0.00 0.00 0.00 0.00 175.76 175.75 3eak s ALA 24 N 0.28 3.36 0.05 0.00 0.00 -0.51 -1.14 121.76 123.79 3eak s ALA 24 Ca 0.25 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 3eak s ALA 24 Cb -0.15 -1.47 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 3eak s ALA 24 CO 0.11 0.63 0.01 -1.54 0.00 0.00 0.00 175.76 174.96 3eak s SER 25 N -1.26 0.38 0.00 0.00 1.04 0.04 -4.87 113.70 109.04 3eak s SER 25 Ca 0.17 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.75 3eak s SER 25 Cb -0.12 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.21 3eak s SER 25 CO 0.07 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.33 3eak n GLY 26 N 0.36 -0.35 3.76 7.32 0.00 -1.26 0.18 105.19 115.20 3eak n GLY 26 Ca -0.16 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 43.85 3eak n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3eak n GLY 27 N -0.32 -0.40 0.32 -0.02 0.00 -1.26 -4.67 105.19 98.84 3eak n GLY 27 Ca 0.00 0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.33 3eak n GLY 27 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3eak h SER 28 N -2.04 0.00 0.35 1.61 4.64 -1.98 -1.75 113.55 114.38 3eak h SER 28 Ca -0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 3eak h SER 28 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 3eak h SER 28 CO 0.60 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.72 3eak n GLU 29 N -4.26 0.13 -3.85 4.77 0.00 -1.26 -4.68 120.64 111.49 3eak n GLU 29 Ca 0.03 0.19 -0.36 0.00 0.00 0.00 0.00 57.16 57.01 3eak n GLU 29 Cb 0.33 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.15 3eak n GLU 29 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 3eak s TYR 30 N -2.72 3.12 -0.02 -1.84 1.51 -0.66 -5.06 117.35 111.67 3eak s TYR 30 Ca 0.11 -0.29 -0.30 0.00 -1.01 0.00 0.00 57.07 55.58 3eak s TYR 30 Cb 0.10 -2.19 -0.05 0.00 -0.11 0.00 0.00 41.96 39.70 3eak s TYR 30 CO 0.23 -0.23 1.45 -1.12 -1.11 0.00 0.00 175.55 174.77 3eak s SER 31 N 1.29 6.81 0.26 2.29 0.01 -1.26 -4.91 113.70 118.19 3eak s SER 31 Ca 0.05 2.12 -0.01 0.00 1.31 0.00 0.00 55.95 59.42 3eak s SER 31 Cb -0.15 -2.55 0.53 0.00 0.21 0.00 0.00 66.02 64.06 3eak s SER 31 CO 0.03 -0.77 1.77 0.22 0.41 0.00 0.00 173.24 174.91 3eak h TYR 32 N 8.16 0.79 0.00 2.43 3.20 -1.93 -0.58 116.97 129.05 3eak h TYR 32 Ca -0.37 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.53 3eak h TYR 32 Cb 1.17 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.22 3eak h TYR 32 CO 0.78 0.20 0.05 0.66 -1.64 0.00 0.00 178.16 178.21 3eak h SER 33 N 0.65 0.00 0.96 -2.11 4.64 -1.91 -0.93 113.55 114.85 3eak h SER 33 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3eak h SER 33 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3eak h SER 33 CO -0.35 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 175.96 3eak n THR 34 N -2.81 0.12 -3.20 2.95 -2.24 -0.22 -4.63 114.28 104.24 3eak n THR 34 Ca -0.02 0.02 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 3eak n THR 34 Cb 0.11 -0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 67.73 3eak n THR 34 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3eak s PHE 35 N -3.00 3.70 0.14 4.78 0.08 -0.35 -4.25 117.98 119.07 3eak s PHE 35 Ca 0.13 1.22 -0.14 0.00 0.12 0.00 0.00 56.93 58.26 3eak s PHE 35 Cb 0.18 -2.61 -0.07 0.00 -0.57 0.00 0.00 43.02 39.95 3eak s PHE 35 CO 0.50 0.37 0.55 -1.12 -0.10 0.00 0.00 175.22 175.42 3eak s SER 36 N -0.28 6.83 0.24 1.36 0.01 0.31 -4.39 113.70 117.78 3eak s SER 36 Ca 0.31 1.08 0.10 0.00 1.31 0.00 0.00 55.95 58.75 3eak s SER 36 Cb -0.18 -2.29 -0.05 0.00 0.21 0.00 0.00 66.02 63.71 3eak s SER 36 CO 0.18 0.12 -0.18 -0.76 0.41 0.00 0.00 173.24 173.01 3eak s LEU 37 N -1.90 2.56 0.05 2.44 2.01 -0.42 -1.88 118.68 121.55 3eak s LEU 37 Ca 0.37 -1.01 -0.23 0.00 0.01 0.00 0.00 54.13 53.27 3eak s LEU 37 Cb -0.15 -0.90 0.05 0.00 0.01 0.00 0.00 46.19 45.20 3eak s LEU 37 CO 0.19 -0.05 0.53 -0.83 1.01 0.00 0.00 176.35 177.20 3eak s GLY 38 N -3.34 -0.45 -0.09 -3.19 0.00 -0.33 -0.88 107.32 99.05 3eak s GLY 38 Ca 0.26 0.61 0.03 0.00 0.00 0.00 0.00 44.72 45.61 3eak s GLY 38 CO 0.11 0.30 -0.19 -0.98 0.00 0.00 0.00 173.10 172.34 3eak s TRP 39 N -2.54 2.63 0.30 1.90 0.52 0.84 -0.44 118.94 122.15 3eak s TRP 39 Ca -0.05 -0.69 0.05 0.00 0.02 0.00 0.00 56.10 55.43 3eak s TRP 39 Cb -0.01 -1.71 -0.06 0.00 -1.15 0.00 0.00 33.47 30.54 3eak s TRP 39 CO -0.02 -0.20 0.01 -0.06 0.02 0.00 0.00 176.95 176.70 3eak s PHE 40 N 0.04 1.92 0.10 -1.98 0.40 0.90 0.17 117.98 119.54 3eak s PHE 40 Ca -0.08 -0.87 -0.17 0.00 -0.60 0.00 0.00 56.93 55.22 3eak s PHE 40 Cb -0.15 -1.20 0.04 0.00 0.51 0.00 0.00 43.02 42.22 3eak s PHE 40 CO 0.05 0.10 0.41 -0.98 0.70 0.00 0.00 175.22 175.50 3eak s ARG 41 N -3.83 1.02 -0.20 0.44 1.70 -0.16 -0.05 118.95 117.87 3eak s ARG 41 Ca 0.33 -0.57 -0.04 0.00 -0.47 0.00 0.00 55.73 54.98 3eak s ARG 41 Cb 0.07 0.45 0.07 0.00 -0.57 0.00 0.00 34.95 34.97 3eak s ARG 41 CO 0.14 -0.38 0.08 -1.14 -1.08 0.00 0.00 175.30 172.91 3eak s GLN 42 N -3.31 0.35 0.52 3.89 0.74 -0.71 -0.17 119.66 120.96 3eak s GLN 42 Ca -0.00 -0.34 -0.14 0.00 0.05 0.00 0.00 55.36 54.94 3eak s GLN 42 Cb 0.01 -1.86 -0.07 0.00 1.10 0.00 0.00 33.01 32.19 3eak s GLN 42 CO -0.08 -0.73 0.95 0.00 -0.55 0.00 0.00 175.29 174.88 3eak s ALA 43 N 1.99 3.14 0.32 1.58 0.00 -1.26 -2.59 121.76 124.94 3eak s ALA 43 Ca 0.02 0.02 -0.29 0.00 0.00 0.00 0.00 51.96 51.72 3eak s ALA 43 Cb -0.16 -3.02 -0.12 0.00 0.00 0.00 0.00 23.12 19.82 3eak s ALA 43 CO -0.13 -0.31 1.47 -0.35 0.00 0.00 0.00 175.76 176.43 3eak n PRO 44 N -1.83 2.47 -0.98 0.00 -0.04 -1.26 -1.41 135.00 131.94 3eak n PRO 44 Ca 0.05 0.87 0.00 0.00 -0.04 0.00 0.00 63.50 64.39 3eak n PRO 44 Cb 0.54 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 3eak n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3eak n GLY 45 N 1.30 0.87 3.56 0.55 0.00 -1.26 -5.01 105.19 105.20 3eak n GLY 45 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 3eak n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3eak s GLN 46 N -0.05 1.92 0.60 1.61 -0.21 -0.50 -5.16 119.66 117.86 3eak s GLN 46 Ca 0.00 -2.15 0.00 0.00 0.02 0.00 0.00 55.36 53.23 3eak s GLN 46 Cb 0.00 -0.97 0.06 0.00 1.00 0.00 0.00 33.01 33.10 3eak s GLN 46 CO 0.00 -0.34 0.84 0.20 -2.12 0.00 0.00 175.29 173.87 3eak s GLY 47 N -3.64 1.80 -0.03 3.09 0.00 -1.26 -4.56 107.32 102.71 3eak s GLY 47 Ca 0.24 -1.37 -0.30 0.00 0.00 0.00 0.00 44.72 43.29 3eak s GLY 47 CO 0.12 -1.02 1.49 -2.27 0.00 0.00 0.00 173.10 171.43 3eak s LEU 48 N -4.89 4.31 0.11 0.66 2.96 -1.26 -4.43 118.68 116.14 3eak s LEU 48 Ca 0.59 2.14 0.09 0.00 -0.22 0.00 0.00 54.13 56.74 3eak s LEU 48 Cb -0.09 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 3eak s LEU 48 CO 0.40 -0.80 -0.22 -1.83 -1.32 0.00 0.00 176.35 172.57 3eak s GLU 49 N 3.04 1.21 0.28 1.98 -1.05 0.77 -4.94 118.70 119.99 3eak s GLU 49 Ca 0.67 -1.22 -0.29 0.00 -0.15 0.00 0.00 54.97 53.97 3eak s GLU 49 Cb -0.32 -1.53 -0.10 0.00 -0.44 0.00 0.00 34.13 31.75 3eak s GLU 49 CO 0.27 0.36 1.13 0.00 0.95 0.00 0.00 175.26 177.96 3eak s ALA 50 N -1.16 3.42 -0.12 -0.84 0.00 -1.26 -0.98 121.76 120.81 3eak s ALA 50 Ca 0.09 0.95 -0.06 0.00 0.00 0.00 0.00 51.96 52.94 3eak s ALA 50 Cb -0.10 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 3eak s ALA 50 CO 0.05 -0.24 -0.16 0.28 0.00 0.00 0.00 175.76 175.69 3eak n VAL 51 N 1.17 0.71 -3.47 0.00 0.31 0.13 -4.57 118.33 112.61 3eak n VAL 51 Ca -0.01 -0.16 -0.13 0.00 -0.01 0.00 0.00 64.34 64.03 3eak n VAL 51 Cb 0.44 -1.68 -0.03 0.00 -0.91 0.00 0.00 33.84 31.66 3eak n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3eak s ALA 52 N -2.24 -1.70 0.03 3.52 0.00 -0.90 -1.37 121.76 119.11 3eak s ALA 52 Ca -0.17 0.87 -0.20 0.00 0.00 0.00 0.00 51.96 52.45 3eak s ALA 52 Cb 0.07 0.47 0.04 0.00 0.00 0.00 0.00 23.12 23.70 3eak s ALA 52 CO 0.22 -0.61 0.45 0.00 0.00 0.00 0.00 175.76 175.82 3eak s ALA 53 N -2.73 -1.13 -0.06 0.00 0.00 -0.36 -0.12 121.76 117.36 3eak s ALA 53 Ca -0.03 0.48 -0.00 0.00 0.00 0.00 0.00 51.96 52.42 3eak s ALA 53 Cb -0.01 0.29 0.03 0.00 0.00 0.00 0.00 23.12 23.42 3eak s ALA 53 CO -0.04 -0.43 -0.02 -1.50 0.00 0.00 0.00 175.76 173.76 3eak s ILE 54 N -2.19 0.43 0.14 0.00 2.07 -0.06 -1.16 121.20 120.43 3eak s ILE 54 Ca -0.07 0.02 -0.17 0.00 -1.41 0.00 0.00 60.65 59.03 3eak s ILE 54 Cb -0.01 -0.53 -0.07 0.00 0.13 0.00 0.00 42.46 41.98 3eak s ILE 54 CO -0.00 0.24 0.58 0.00 -1.91 0.00 0.00 174.94 173.85 3eak s ALA 55 N 1.50 3.56 0.54 1.50 0.00 -0.05 -1.29 121.76 127.51 3eak s ALA 55 Ca -0.02 -0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.71 3eak s ALA 55 Cb -0.13 -2.60 -0.06 0.00 0.00 0.00 0.00 23.12 20.33 3eak s ALA 55 CO -0.03 0.42 1.10 -1.54 0.00 0.00 0.00 175.76 175.70 3eak s SER 56 N -1.53 5.86 -0.21 0.00 1.04 -1.26 -1.51 113.70 116.10 3eak s SER 56 Ca 0.36 2.06 -0.04 0.00 0.48 0.00 0.00 55.95 58.81 3eak s SER 56 Cb -0.17 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.39 3eak s SER 56 CO 0.19 -1.12 0.24 0.23 0.98 0.00 0.00 173.24 173.77 3eak n MET 57 N -1.34 -0.77 0.00 4.02 2.81 -1.26 -4.51 117.12 116.07 3eak n MET 57 Ca 0.11 1.04 0.00 0.00 -1.81 0.00 0.00 57.70 57.04 3eak n MET 57 Cb 0.52 -3.12 0.00 0.00 -0.71 0.00 0.00 33.22 29.91 3eak n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3eak n GLY 58 N -0.73 2.55 2.35 3.03 0.00 -1.26 -4.69 105.19 106.44 3eak n GLY 58 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 3eak n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3eak n GLY 59 N -0.69 -0.25 3.75 -0.02 0.00 -0.57 -4.98 105.19 102.44 3eak n GLY 59 Ca 0.00 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 3eak n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3eak s LEU 60 N -4.48 4.48 0.13 0.99 1.43 -1.24 -4.65 118.68 115.34 3eak s LEU 60 Ca 0.03 2.39 0.06 0.00 -1.03 0.00 0.00 54.13 55.59 3eak s LEU 60 Cb -0.02 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 3eak s LEU 60 CO 0.04 -0.35 -0.00 0.42 0.23 0.00 0.00 176.35 176.69 3eak s THR 61 N -0.74 3.86 0.01 5.49 -4.23 -1.26 -0.87 115.64 117.90 3eak s THR 61 Ca 0.49 -1.18 0.02 0.00 -1.18 0.00 0.00 61.69 59.84 3eak s THR 61 Cb -0.35 -2.88 -0.01 0.00 1.34 0.00 0.00 72.50 70.60 3eak s THR 61 CO 0.43 0.03 -0.06 -0.31 -0.54 0.00 0.00 174.62 174.16 3eak s TYR 62 N -1.47 0.54 0.07 3.99 2.02 -0.31 -4.98 117.35 117.22 3eak s TYR 62 Ca 0.26 -0.25 0.03 0.00 -0.37 0.00 0.00 57.07 56.74 3eak s TYR 62 Cb -0.11 -0.34 -0.03 0.00 -0.40 0.00 0.00 41.96 41.08 3eak s TYR 62 CO 0.18 -0.04 -0.09 0.71 -1.57 0.00 0.00 175.55 174.75 3eak s TYR 63 N -0.62 0.89 0.61 2.71 1.51 -1.26 -1.23 117.35 119.96 3eak s TYR 63 Ca -0.03 -0.64 -0.16 0.00 -1.01 0.00 0.00 57.07 55.24 3eak s TYR 63 Cb -0.05 -0.51 -0.03 0.00 -0.11 0.00 0.00 41.96 41.27 3eak s TYR 63 CO 0.00 -0.06 1.08 0.00 -1.11 0.00 0.00 175.55 175.46 3eak s ALA 64 N -2.21 2.65 0.23 3.71 0.00 -0.47 -4.83 121.76 120.84 3eak s ALA 64 Ca 0.00 0.48 -0.07 0.00 0.00 0.00 0.00 51.96 52.37 3eak s ALA 64 Cb -0.04 -3.27 0.37 0.00 0.00 0.00 0.00 23.12 20.17 3eak s ALA 64 CO -0.01 -0.95 1.71 -0.44 0.00 0.00 0.00 175.76 176.07 3eak h ASP 65 N 0.39 0.08 0.09 0.00 3.32 -1.92 -2.11 116.42 116.26 3eak h ASP 65 Ca -0.47 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3eak h ASP 65 Cb 1.23 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.92 3eak h ASP 65 CO 0.56 0.03 0.00 -1.54 -1.72 0.00 0.00 179.24 176.57 3eak n SER 66 N -5.10 0.00 0.00 6.45 3.41 -1.26 -3.70 113.62 113.43 3eak n SER 66 Ca 0.11 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.93 3eak n SER 66 Cb 0.37 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 3eak n SER 66 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3eak n VAL 67 N -1.05 0.00 -1.70 -3.33 0.24 -0.85 -4.95 118.33 106.69 3eak n VAL 67 Ca 0.21 -0.40 -0.44 0.00 -2.04 0.00 0.00 64.34 61.68 3eak n VAL 67 Cb 0.12 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.47 3eak n VAL 67 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3eak n LYS 68 N -0.74 2.57 0.00 7.34 4.81 -0.85 -0.69 118.16 130.59 3eak n LYS 68 Ca 0.00 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 3eak n LYS 68 Cb 0.00 -2.76 0.00 0.00 0.02 0.00 0.00 35.03 32.29 3eak n LYS 68 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3eak n GLY 69 N 3.86 2.16 0.07 3.14 0.00 -1.26 -4.79 105.19 108.36 3eak n GLY 69 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 3eak n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3eak n ARG 70 N -2.00 0.82 -4.21 1.61 1.74 0.13 -5.04 116.66 109.71 3eak n ARG 70 Ca 0.00 0.06 -0.27 0.00 -0.77 0.00 0.00 57.85 56.87 3eak n ARG 70 Cb 0.00 -1.28 -0.08 0.00 -1.02 0.00 0.00 32.46 30.08 3eak n ARG 70 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3eak s PHE 71 N -2.28 2.82 -0.05 -1.55 2.99 -0.38 -2.04 117.98 117.50 3eak s PHE 71 Ca -0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 56.93 56.63 3eak s PHE 71 Cb 0.04 -1.39 0.03 0.00 0.00 0.00 0.00 43.02 41.70 3eak s PHE 71 CO 0.36 0.50 0.00 0.99 -0.00 0.00 0.00 175.22 177.07 3eak s THR 72 N -1.61 0.26 -0.02 0.64 2.01 -0.04 -4.86 115.64 112.02 3eak s THR 72 Ca 0.26 0.12 -0.13 0.00 0.31 0.00 0.00 61.69 62.25 3eak s THR 72 Cb -0.10 -0.39 -0.05 0.00 0.01 0.00 0.00 72.50 71.96 3eak s THR 72 CO 0.17 0.21 0.36 -0.51 -0.69 0.00 0.00 174.62 174.16 3eak s ILE 73 N 1.54 5.12 0.25 1.82 2.07 -1.26 -0.96 121.20 129.79 3eak s ILE 73 Ca -0.02 0.71 -0.12 0.00 -1.41 0.00 0.00 60.65 59.81 3eak s ILE 73 Cb -0.13 -3.65 -0.00 0.00 0.13 0.00 0.00 42.46 38.81 3eak s ILE 73 CO -0.03 0.58 0.48 -0.94 -1.91 0.00 0.00 174.94 173.12 3eak s SER 74 N -1.08 -0.03 -0.01 4.50 1.04 -0.96 -5.01 113.70 112.14 3eak s SER 74 Ca 0.22 -0.97 -0.08 0.00 0.48 0.00 0.00 55.95 55.60 3eak s SER 74 Cb -0.16 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.56 3eak s SER 74 CO 0.12 -1.16 0.17 0.00 0.98 0.00 0.00 173.24 173.35 3eak s ARG 75 N -3.93 0.45 -0.45 4.02 1.70 -1.26 -0.75 118.95 118.73 3eak s ARG 75 Ca 0.23 -0.24 0.03 0.00 -0.47 0.00 0.00 55.73 55.27 3eak s ARG 75 Cb -0.01 0.19 0.12 0.00 -0.57 0.00 0.00 34.95 34.69 3eak s ARG 75 CO 0.10 -0.10 0.19 0.34 -1.08 0.00 0.00 175.30 174.75 3eak s ASP 76 N -1.08 4.69 0.40 -2.89 -1.08 0.21 -4.98 116.67 111.94 3eak s ASP 76 Ca -0.12 -2.56 0.07 0.00 -0.52 0.00 0.00 52.55 49.42 3eak s ASP 76 Cb -0.06 -1.68 0.83 0.00 -1.46 0.00 0.00 42.92 40.55 3eak s ASP 76 CO 0.02 -0.34 2.03 0.78 0.52 0.00 0.00 175.17 178.18 3eak h ASN 77 N 7.15 0.45 0.34 -0.34 2.35 -1.96 -1.30 115.58 122.26 3eak h ASN 77 Ca -0.06 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 3eak h ASN 77 Cb 0.96 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 39.22 3eak h ASN 77 CO 0.63 0.37 -0.08 0.77 -1.65 0.00 0.00 177.43 177.47 3eak h SER 78 N 0.52 0.00 -0.12 5.81 4.64 -1.95 -1.87 113.55 120.57 3eak h SER 78 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3eak h SER 78 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3eak h SER 78 CO -0.02 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 176.31 3eak n LYS 79 N -3.53 1.64 -3.32 4.77 5.02 -0.59 -4.96 118.16 117.18 3eak n LYS 79 Ca -0.02 -1.68 -0.23 0.00 -2.02 0.00 0.00 58.31 54.36 3eak n LYS 79 Cb 0.20 -1.34 0.01 0.00 -0.02 0.00 0.00 35.03 33.87 3eak n LYS 79 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3eak n ASN 80 N 0.98 -4.29 -4.33 4.39 3.02 -0.61 -4.71 115.26 109.71 3eak n ASN 80 Ca 0.11 -0.39 -0.31 0.00 -0.03 0.00 0.00 54.58 53.96 3eak n ASN 80 Cb 0.44 -3.52 -0.16 0.00 -0.61 0.00 0.00 39.78 35.94 3eak n ASN 80 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3eak s THR 81 N -3.00 2.17 -0.10 3.41 2.01 -0.91 -1.42 115.64 117.80 3eak s THR 81 Ca 0.39 -1.07 -0.02 0.00 0.31 0.00 0.00 61.69 61.31 3eak s THR 81 Cb -0.20 -1.76 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 3eak s THR 81 CO 0.48 0.58 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.74 3eak s LEU 82 N -0.64 3.35 0.25 4.42 2.96 0.04 -0.62 118.68 128.44 3eak s LEU 82 Ca 0.10 0.00 0.08 0.00 -0.22 0.00 0.00 54.13 54.10 3eak s LEU 82 Cb -0.10 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 3eak s LEU 82 CO -0.01 0.30 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.89 3eak s TYR 83 N -0.44 1.91 -0.14 5.38 2.02 0.07 0.33 117.35 126.48 3eak s TYR 83 Ca 0.07 -0.56 -0.05 0.00 -0.37 0.00 0.00 57.07 56.16 3eak s TYR 83 Cb -0.12 -0.95 0.07 0.00 -0.40 0.00 0.00 41.96 40.56 3eak s TYR 83 CO 0.02 0.41 0.29 -1.17 -1.57 0.00 0.00 175.55 173.53 3eak s LEU 84 N -3.40 -0.32 -0.18 -1.29 2.96 -0.19 -2.28 118.68 113.99 3eak s LEU 84 Ca 0.26 0.66 -0.15 0.00 -0.22 0.00 0.00 54.13 54.68 3eak s LEU 84 Cb -0.00 0.81 -0.04 0.00 0.50 0.00 0.00 46.19 47.46 3eak s LEU 84 CO 0.10 -0.23 0.34 -1.58 -1.32 0.00 0.00 176.35 173.66 3eak s GLN 85 N 2.38 4.21 -0.04 1.98 2.00 -0.14 -0.69 119.66 129.36 3eak s GLN 85 Ca 0.00 0.14 0.07 0.00 -2.00 0.00 0.00 55.36 53.57 3eak s GLN 85 Cb -0.12 -3.49 -0.02 0.00 0.80 0.00 0.00 33.01 30.19 3eak s GLN 85 CO -0.09 0.09 -0.25 -1.64 -0.50 0.00 0.00 175.29 172.89 3eak s MET 86 N 0.92 2.33 0.15 1.67 -1.94 0.41 -0.86 119.30 121.99 3eak s MET 86 Ca 0.18 -0.91 0.03 0.00 -1.71 0.00 0.00 55.69 53.28 3eak s MET 86 Cb -0.14 -2.11 -0.04 0.00 2.01 0.00 0.00 34.83 34.55 3eak s MET 86 CO 0.06 0.48 -0.07 -0.80 -0.01 0.00 0.00 175.02 174.68 3eak s ASN 87 N -0.40 1.59 -1.47 3.03 0.01 -0.86 -1.54 114.94 115.29 3eak s ASN 87 Ca 0.04 -1.05 -0.02 0.00 -0.71 0.00 0.00 52.86 51.11 3eak s ASN 87 Cb -0.12 0.03 0.02 0.00 0.41 0.00 0.00 41.25 41.59 3eak s ASN 87 CO 0.01 -0.40 0.40 -1.20 -1.51 0.00 0.00 177.10 174.40 3eak n SER 88 N -0.19 -0.49 -4.77 -1.22 7.64 -1.08 -4.79 113.62 108.73 3eak n SER 88 Ca -0.10 -1.05 -0.41 0.00 1.01 0.00 0.00 58.87 58.33 3eak n SER 88 Cb 0.61 -2.79 -0.01 0.00 -1.01 0.00 0.00 64.21 61.02 3eak n SER 88 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3eak s LEU 89 N -7.07 4.31 0.33 -3.43 1.43 -0.81 -4.66 118.68 108.78 3eak s LEU 89 Ca 0.10 2.87 0.07 0.00 -1.03 0.00 0.00 54.13 56.14 3eak s LEU 89 Cb -0.05 -3.73 -0.07 0.00 0.03 0.00 0.00 46.19 42.37 3eak s LEU 89 CO 0.91 -0.81 -0.03 0.00 0.23 0.00 0.00 176.35 176.66 3eak s ARG 90 N -2.07 1.73 0.45 1.70 1.04 -1.26 0.20 118.95 120.74 3eak s ARG 90 Ca 0.53 -1.92 0.17 0.00 -1.04 0.00 0.00 55.73 53.47 3eak s ARG 90 Cb -0.43 -1.34 1.12 0.00 -2.04 0.00 0.00 34.95 32.27 3eak s ARG 90 CO 0.57 -0.00 1.95 0.00 -0.04 0.00 0.00 175.30 177.78 3eak h ALA 91 N 2.07 2.18 0.00 7.88 0.00 -1.96 0.18 119.26 129.60 3eak h ALA 91 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3eak h ALA 91 Cb 1.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3eak h ALA 91 CO 0.72 -0.35 0.00 0.93 0.00 0.00 0.00 179.25 180.55 3eak h GLU 92 N 0.32 0.00 -0.00 0.00 3.07 -1.95 -2.09 114.58 113.92 3eak h GLU 92 Ca 0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.18 3eak h GLU 92 Cb 0.80 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 3eak h GLU 92 CO -0.08 0.00 -0.13 -0.25 -1.40 0.00 0.00 179.01 177.14 3eak n ASP 93 N -2.39 0.27 -4.71 1.42 8.00 0.64 -4.84 116.55 114.94 3eak n ASP 93 Ca 0.01 -0.12 -0.42 0.00 0.71 0.00 0.00 54.79 54.97 3eak n ASP 93 Cb 0.17 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 3eak n ASP 93 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3eak s THR 94 N -2.75 2.27 0.00 -3.53 2.01 -0.79 -4.87 115.64 107.98 3eak s THR 94 Ca 0.21 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.34 3eak s THR 94 Cb 0.19 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.62 3eak s THR 94 CO 0.53 0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.47 3eak n ALA 95 N 4.33 0.00 -2.67 7.40 0.00 -0.21 -4.45 120.51 124.89 3eak n ALA 95 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.21 3eak n ALA 95 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 3eak n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3eak s VAL 96 N -2.00 5.14 -0.19 0.00 1.01 -1.07 -0.96 120.40 122.33 3eak s VAL 96 Ca 0.00 0.91 -0.11 0.00 0.00 0.00 0.00 61.98 62.77 3eak s VAL 96 Cb 0.00 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 3eak s VAL 96 CO 0.00 0.22 0.18 -0.31 0.00 0.00 0.00 175.10 175.19 3eak s TYR 97 N 1.40 3.43 -0.07 5.22 2.02 0.73 -1.74 117.35 128.33 3eak s TYR 97 Ca 0.23 0.42 0.04 0.00 -0.37 0.00 0.00 57.07 57.39 3eak s TYR 97 Cb -0.15 -2.22 -0.02 0.00 -0.40 0.00 0.00 41.96 39.17 3eak s TYR 97 CO 0.09 0.27 -0.20 0.71 -1.57 0.00 0.00 175.55 174.86 3eak s TYR 98 N 0.39 2.59 0.20 2.71 1.51 0.93 -1.37 117.35 124.31 3eak s TYR 98 Ca 0.11 -0.57 -0.02 0.00 -1.01 0.00 0.00 57.07 55.58 3eak s TYR 98 Cb -0.12 -1.66 -0.05 0.00 -0.11 0.00 0.00 41.96 40.03 3eak s TYR 98 CO -0.00 -0.12 0.40 0.00 -1.11 0.00 0.00 175.55 174.72 3eak s ALA 100 N -1.84 -0.03 0.06 0.00 0.00 0.42 -1.89 121.76 118.47 3eak s ALA 100 Ca 0.39 -0.73 -0.10 0.00 0.00 0.00 0.00 51.96 51.53 3eak s ALA 100 Cb -0.11 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.40 3eak s ALA 100 CO 0.28 -0.44 0.21 0.00 0.00 0.00 0.00 175.76 175.81 3eak s ALA 101 N -3.62 -0.35 -0.10 0.00 0.00 -0.33 -1.18 121.76 116.18 3eak s ALA 101 Ca 0.03 -0.38 -0.30 0.00 0.00 0.00 0.00 51.96 51.32 3eak s ALA 101 Cb 0.04 0.37 0.07 0.00 0.00 0.00 0.00 23.12 23.60 3eak s ALA 101 CO -0.09 -0.42 0.70 0.54 0.00 0.00 0.00 175.76 176.48 3eak s VAL 102 N -3.06 0.00 -1.01 0.00 0.11 -0.79 -1.22 120.40 114.44 3eak s VAL 102 Ca -0.01 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 58.90 3eak s VAL 102 Cb 0.01 -1.00 0.21 0.00 -1.53 0.00 0.00 36.38 34.07 3eak s VAL 102 CO -0.07 0.00 1.07 -0.60 -3.33 0.00 0.00 175.10 172.17 3eak s ARG 103 N -0.86 3.88 0.00 1.54 3.52 -1.26 -0.53 118.95 125.23 3eak s ARG 103 Ca -0.08 -2.58 0.00 0.00 -0.13 0.00 0.00 55.73 52.94 3eak s ARG 103 Cb -0.01 -4.68 0.00 0.00 -1.56 0.00 0.00 34.95 28.70 3eak s ARG 103 CO 0.08 -1.46 0.00 0.41 -0.81 0.00 0.00 175.30 173.52 3eak n GLY 104 N 3.91 -1.41 3.26 8.12 0.00 -1.26 -5.02 105.19 112.79 3eak n GLY 104 Ca 0.23 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 3eak n GLY 104 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3eak s TYR 105 N -2.42 1.20 0.11 1.61 1.13 -1.26 -4.03 117.35 113.69 3eak s TYR 105 Ca 0.00 -1.38 -0.04 0.00 -1.41 0.00 0.00 57.07 54.25 3eak s TYR 105 Cb 0.00 -0.51 -0.03 0.00 -1.10 0.00 0.00 41.96 40.33 3eak s TYR 105 CO 0.00 -0.73 0.10 -0.59 -2.51 0.00 0.00 175.55 171.81 3eak s PHE 106 N -3.97 0.56 -0.09 -3.49 -0.12 -1.26 -5.08 117.98 104.53 3eak s PHE 106 Ca 0.38 -0.99 0.13 0.00 -0.05 0.00 0.00 56.93 56.40 3eak s PHE 106 Cb 0.05 -0.30 0.24 0.00 -0.63 0.00 0.00 43.02 42.38 3eak s PHE 106 CO 0.15 -0.52 1.12 -1.33 -0.05 0.00 0.00 175.22 174.59 3eak n MET 107 N -0.05 0.86 -3.70 1.99 2.81 -1.26 -4.88 117.12 112.88 3eak n MET 107 Ca -0.10 -2.21 -0.07 0.00 -1.81 0.00 0.00 57.70 53.52 3eak n MET 107 Cb 0.63 -1.10 -0.02 0.00 -0.71 0.00 0.00 33.22 32.02 3eak n MET 107 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 3eak s ARG 108 N -1.87 1.37 -0.22 0.03 1.70 -1.26 -5.09 118.95 113.60 3eak s ARG 108 Ca 0.24 -0.70 -0.35 0.00 -0.47 0.00 0.00 55.73 54.46 3eak s ARG 108 Cb 0.23 0.51 -0.12 0.00 -0.57 0.00 0.00 34.95 35.00 3eak s ARG 108 CO -0.01 -0.62 2.00 -0.11 -1.08 0.00 0.00 175.30 175.48 3eak n LEU 109 N -0.42 2.80 -4.80 -1.89 7.94 -1.26 -4.90 117.00 114.47 3eak n LEU 109 Ca -0.08 0.72 -0.34 0.00 -1.11 0.00 0.00 56.01 55.21 3eak n LEU 109 Cb 0.61 -1.31 -0.04 0.00 0.53 0.00 0.00 43.42 43.21 3eak n LEU 109 CO 0.13 -0.41 0.70 -2.16 -1.11 0.00 0.00 177.39 174.55 3eak s PRO 110 N 4.96 3.87 0.67 1.96 0.04 -1.26 -5.08 135.00 140.17 3eak s PRO 110 Ca 1.00 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 63.32 3eak s PRO 110 Cb -0.78 -2.11 0.09 0.00 0.04 0.00 0.00 34.50 31.74 3eak s PRO 110 CO 0.52 -0.36 0.93 -1.54 0.04 0.00 0.00 177.00 176.59 3eak s SER 111 N -2.09 4.68 0.59 6.66 1.04 -1.26 -4.74 113.70 118.58 3eak s SER 111 Ca 0.66 -0.13 0.31 0.00 0.48 0.00 0.00 55.95 57.26 3eak s SER 111 Cb -0.15 -0.44 1.86 0.00 0.10 0.00 0.00 66.02 67.39 3eak s SER 111 CO 0.19 -1.62 2.26 0.77 0.98 0.00 0.00 173.24 175.83 3eak h SER 112 N -0.37 0.00 0.37 7.02 4.64 -1.97 -1.93 113.55 121.31 3eak h SER 112 Ca -0.39 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.91 3eak h SER 112 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3eak h SER 112 CO 0.46 0.01 -0.07 -0.74 -0.87 0.00 0.00 176.83 175.63 3eak h HIS 113 N 0.00 0.00 0.00 4.77 -0.00 -2.02 -2.70 115.15 115.20 3eak h HIS 113 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3eak h HIS 113 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.43 3eak h HIS 113 CO 0.00 0.07 0.00 0.09 -0.00 0.00 0.00 177.93 178.09 3eak n ASN 114 N -3.45 0.74 -4.60 3.26 4.13 -0.73 -4.83 115.26 109.78 3eak n ASN 114 Ca -0.02 0.62 -0.34 0.00 1.68 0.00 0.00 54.58 56.52 3eak n ASN 114 Cb 0.20 -0.80 -0.10 0.00 -1.54 0.00 0.00 39.78 37.53 3eak n ASN 114 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3eak s PHE 115 N -3.22 3.14 -0.16 3.10 0.08 -1.02 -4.82 117.98 115.08 3eak s PHE 115 Ca 0.07 -0.02 -0.18 0.00 0.12 0.00 0.00 56.93 56.92 3eak s PHE 115 Cb 0.11 -1.93 -0.23 0.00 -0.57 0.00 0.00 43.02 40.40 3eak s PHE 115 CO 0.49 0.20 0.36 -0.09 -0.10 0.00 0.00 175.22 176.08 3eak h ARG 116 N 6.14 0.10 -5.58 0.44 2.43 -1.80 -3.47 114.38 112.64 3eak h ARG 116 Ca -0.40 -0.18 -0.66 0.00 -0.81 0.00 0.00 59.98 57.94 3eak h ARG 116 Cb 1.18 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 30.72 3eak h ARG 116 CO 0.62 1.09 -0.49 0.71 -1.51 0.00 0.00 179.97 180.39 3eak s TYR 117 N -2.42 3.54 0.04 2.20 1.51 -0.36 -4.97 117.35 116.90 3eak s TYR 117 Ca -0.25 0.47 0.03 0.00 -1.01 0.00 0.00 57.07 56.31 3eak s TYR 117 Cb 0.05 -1.98 -0.02 0.00 -0.11 0.00 0.00 41.96 39.90 3eak s TYR 117 CO 0.67 0.64 -0.09 -1.58 -1.11 0.00 0.00 175.55 174.07 3eak s TRP 118 N -0.74 0.80 0.57 2.71 0.52 -1.26 -1.19 118.94 120.35 3eak s TRP 118 Ca 0.13 -0.45 -0.04 0.00 0.02 0.00 0.00 56.10 55.77 3eak s TRP 118 Cb -0.12 -0.47 0.12 0.00 -1.15 0.00 0.00 33.47 31.85 3eak s TRP 118 CO 0.03 -0.04 0.78 0.41 0.02 0.00 0.00 176.95 178.15 3eak n GLY 119 N 1.58 0.06 0.05 0.98 0.00 -0.79 -4.48 105.19 102.58 3eak n GLY 119 Ca -0.21 -1.92 0.12 0.00 0.00 0.00 0.00 46.02 44.01 3eak n GLY 119 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3eak n GLN 120 N -2.52 0.24 0.00 1.61 6.02 -1.26 -4.86 117.38 116.61 3eak n GLN 120 Ca 0.12 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 3eak n GLN 120 Cb 0.42 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 30.05 3eak n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3eak n GLY 121 N 1.37 1.08 2.93 1.08 0.00 -1.26 -5.02 105.19 105.36 3eak n GLY 121 Ca 0.03 -1.72 -0.18 0.00 0.00 0.00 0.00 46.02 44.16 3eak n GLY 121 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3eak s THR 122 N -2.73 0.48 -0.07 2.61 -1.32 -0.47 -4.79 115.64 109.36 3eak s THR 122 Ca 0.00 -0.18 -0.23 0.00 -1.21 0.00 0.00 61.69 60.07 3eak s THR 122 Cb 0.00 -0.46 -0.04 0.00 -1.51 0.00 0.00 72.50 70.49 3eak s THR 122 CO 0.00 0.17 0.70 -0.22 -2.21 0.00 0.00 174.62 173.06 3eak s LEU 123 N 0.36 4.32 -0.19 9.08 2.96 -1.26 -0.19 118.68 133.75 3eak s LEU 123 Ca -0.04 1.18 0.01 0.00 -0.22 0.00 0.00 54.13 55.06 3eak s LEU 123 Cb -0.08 -3.08 0.02 0.00 0.50 0.00 0.00 46.19 43.56 3eak s LEU 123 CO -0.00 -0.11 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.05 3eak s VAL 124 N 0.79 2.17 -0.27 1.68 1.01 -0.14 -0.79 120.40 124.86 3eak s VAL 124 Ca 0.37 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 3eak s VAL 124 Cb -0.18 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.26 3eak s VAL 124 CO 0.18 0.45 -0.02 -0.89 0.00 0.00 0.00 175.10 174.82 3eak s THR 125 N 1.28 3.14 -0.54 3.92 2.01 -0.35 -1.05 115.64 124.05 3eak s THR 125 Ca 0.03 -0.99 -0.17 0.00 0.31 0.00 0.00 61.69 60.87 3eak s THR 125 Cb -0.14 -2.63 0.11 0.00 0.01 0.00 0.00 72.50 69.85 3eak s THR 125 CO -0.11 0.13 0.54 -0.69 -0.69 0.00 0.00 174.62 173.80 3eak s VAL 126 N 1.36 5.09 0.00 3.82 1.01 -1.26 -1.33 120.40 129.08 3eak s VAL 126 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 60.78 3eak s VAL 126 Cb -0.17 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.88 3eak s VAL 126 CO -0.02 -0.87 0.00 -1.54 0.00 0.00 0.00 175.10 172.67