#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6j s VAL 2 N 0.00 4.20 -0.15 6.31 1.01 -1.26 -4.01 120.40 126.51 3g6j s VAL 2 Ca 0.00 1.53 -0.21 0.00 0.00 0.00 0.00 61.98 63.30 3g6j s VAL 2 Cb 0.00 -3.98 0.05 0.00 0.00 0.00 0.00 36.38 32.45 3g6j s VAL 2 CO 0.00 -0.02 0.55 0.00 0.00 0.00 0.00 175.10 175.63 3g6j s GLN 3 N 2.37 0.74 0.02 2.72 -2.07 -0.78 -5.02 119.66 117.64 3g6j s GLN 3 Ca 0.57 0.52 0.07 0.00 -1.82 0.00 0.00 55.36 54.69 3g6j s GLN 3 Cb -0.25 0.35 -0.02 0.00 -1.09 0.00 0.00 33.01 32.00 3g6j s GLN 3 CO 0.22 -0.15 -0.20 -0.51 -1.32 0.00 0.00 175.29 173.33 3g6j s LEU 4 N -0.26 2.12 -0.15 2.60 1.02 -1.26 -2.27 118.68 120.48 3g6j s LEU 4 Ca -0.04 -0.46 -0.04 0.00 0.02 0.00 0.00 54.13 53.60 3g6j s LEU 4 Cb -0.03 -1.00 0.05 0.00 0.02 0.00 0.00 46.19 45.23 3g6j s LEU 4 CO 0.03 0.19 0.08 -0.69 0.02 0.00 0.00 176.35 175.98 3g6j s VAL 5 N -0.68 -0.04 0.59 -1.59 1.01 -1.06 -4.15 120.40 114.48 3g6j s VAL 5 Ca 0.08 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 3g6j s VAL 5 Cb -0.08 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 3g6j s VAL 5 CO 0.01 -0.18 0.96 -1.61 0.00 0.00 0.00 175.10 174.28 3g6j s GLU 6 N 2.12 3.45 0.13 2.72 8.01 -1.26 -0.40 118.70 133.48 3g6j s GLU 6 Ca 0.02 0.52 -0.26 0.00 0.01 0.00 0.00 54.97 55.27 3g6j s GLU 6 Cb -0.15 -2.17 0.07 0.00 -4.31 0.00 0.00 34.13 27.57 3g6j s GLU 6 CO -0.08 -0.54 0.95 -1.54 0.01 0.00 0.00 175.26 174.07 3g6j s SER 7 N -4.19 -0.20 0.00 -0.19 1.04 -0.54 -4.85 113.70 104.77 3g6j s SER 7 Ca 0.53 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.62 3g6j s SER 7 Cb -0.11 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3g6j s SER 7 CO 0.51 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.48 3g6j n GLY 8 N -0.44 0.59 3.73 7.32 0.00 -1.26 -2.10 105.19 113.03 3g6j n GLY 8 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3g6j n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g6j s GLY 9 N -1.33 1.88 0.00 -0.02 0.00 -1.26 -4.78 107.32 101.81 3g6j s GLY 9 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.25 3g6j s GLY 9 CO 0.00 0.91 0.00 0.61 0.00 0.00 0.00 173.10 174.62 3g6j n GLY 10 N -0.34 -0.53 3.80 0.20 0.00 -0.93 -4.93 105.19 102.47 3g6j n GLY 10 Ca 0.11 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.85 3g6j n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g6j s LEU 11 N 0.00 4.53 0.01 0.99 0.20 -1.26 -1.16 118.68 121.98 3g6j s LEU 11 Ca 0.00 1.34 0.00 0.00 0.69 0.00 0.00 54.13 56.16 3g6j s LEU 11 Cb 0.00 -3.03 -0.01 0.00 -0.43 0.00 0.00 46.19 42.73 3g6j s LEU 11 CO 0.00 0.24 -0.02 0.68 -0.29 0.00 0.00 176.35 176.97 3g6j s VAL 12 N -1.15 0.06 0.44 1.68 -7.23 -0.52 -4.95 120.40 108.73 3g6j s VAL 12 Ca 0.31 -0.42 -0.24 0.00 -1.81 0.00 0.00 61.98 59.83 3g6j s VAL 12 Cb -0.20 -0.13 -0.08 0.00 0.56 0.00 0.00 36.38 36.53 3g6j s VAL 12 CO 0.21 -0.22 1.20 -1.10 -0.31 0.00 0.00 175.10 174.88 3g6j s GLN 13 N -0.66 3.82 0.47 4.82 -1.52 -1.26 -1.74 119.66 123.58 3g6j s GLN 13 Ca -0.07 1.88 -0.25 0.00 -1.95 0.00 0.00 55.36 54.98 3g6j s GLN 13 Cb -0.05 -2.52 -0.08 0.00 -0.22 0.00 0.00 33.01 30.15 3g6j s GLN 13 CO -0.00 -0.53 1.41 -2.14 -0.25 0.00 0.00 175.29 173.78 3g6j s PRO 14 N -2.53 3.59 0.00 2.91 0.02 -1.26 -1.07 135.00 136.65 3g6j s PRO 14 Ca 0.61 2.38 0.00 0.00 0.02 0.00 0.00 61.00 64.01 3g6j s PRO 14 Cb -0.31 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 31.62 3g6j s PRO 14 CO 0.39 -0.88 0.00 0.41 -0.33 0.00 0.00 177.00 176.58 3g6j n GLY 15 N 0.61 2.75 1.69 0.52 0.00 0.19 -4.95 105.19 106.00 3g6j n GLY 15 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 3g6j n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g6j n GLY 16 N -0.17 -3.06 3.30 -0.02 0.00 -0.23 -3.11 105.19 101.90 3g6j n GLY 16 Ca 0.00 -1.39 -0.16 0.00 0.00 0.00 0.00 46.02 44.46 3g6j n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g6j s SER 17 N -2.83 2.22 -0.08 1.61 0.01 -1.26 -2.23 113.70 111.13 3g6j s SER 17 Ca 0.35 -1.02 -0.28 0.00 1.31 0.00 0.00 55.95 56.31 3g6j s SER 17 Cb -0.04 -0.08 0.07 0.00 0.21 0.00 0.00 66.02 66.17 3g6j s SER 17 CO 0.28 -0.24 0.65 -0.22 0.41 0.00 0.00 173.24 174.11 3g6j s LEU 18 N -3.25 -0.52 -0.25 2.44 0.20 -0.85 -5.00 118.68 111.45 3g6j s LEU 18 Ca 0.20 0.78 0.01 0.00 0.69 0.00 0.00 54.13 55.81 3g6j s LEU 18 Cb 0.01 2.39 0.07 0.00 -0.43 0.00 0.00 46.19 48.23 3g6j s LEU 18 CO 0.04 -0.53 -0.03 -0.60 -0.29 0.00 0.00 176.35 174.94 3g6j s ARG 19 N -0.93 1.54 0.34 1.98 3.52 -1.26 0.13 118.95 124.26 3g6j s ARG 19 Ca -0.09 -1.08 -0.09 0.00 -0.13 0.00 0.00 55.73 54.33 3g6j s ARG 19 Cb -0.01 -2.60 -0.06 0.00 -1.56 0.00 0.00 34.95 30.71 3g6j s ARG 19 CO 0.08 -0.66 0.67 -0.51 -0.81 0.00 0.00 175.30 174.07 3g6j s LEU 20 N 1.37 3.97 0.07 -0.88 1.43 -0.44 -4.71 118.68 119.48 3g6j s LEU 20 Ca -0.03 1.00 0.04 0.00 -1.03 0.00 0.00 54.13 54.11 3g6j s LEU 20 Cb -0.19 -3.84 -0.03 0.00 0.03 0.00 0.00 46.19 42.16 3g6j s LEU 20 CO -0.08 -0.27 -0.10 -0.94 0.23 0.00 0.00 176.35 175.19 3g6j s SER 21 N -2.93 1.29 -0.18 2.29 1.04 -0.89 -1.34 113.70 112.99 3g6j s SER 21 Ca 0.49 -0.66 -0.01 0.00 0.48 0.00 0.00 55.95 56.24 3g6j s SER 21 Cb -0.11 0.00 0.05 0.00 0.10 0.00 0.00 66.02 66.07 3g6j s SER 21 CO 0.28 -0.19 -0.01 0.00 0.98 0.00 0.00 173.24 174.29 3g6j s ALA 23 N 1.71 3.34 0.29 0.00 0.00 0.47 -1.35 121.76 126.23 3g6j s ALA 23 Ca -0.01 -2.37 -0.25 0.00 0.00 0.00 0.00 51.96 49.33 3g6j s ALA 23 Cb -0.16 -3.82 -0.09 0.00 0.00 0.00 0.00 23.12 19.04 3g6j s ALA 23 CO -0.07 -2.71 0.90 0.00 0.00 0.00 0.00 175.76 173.88 3g6j s ALA 24 N 2.97 3.26 -0.03 0.00 0.00 -0.18 -2.57 121.76 125.21 3g6j s ALA 24 Ca 0.23 0.47 -0.25 0.00 0.00 0.00 0.00 51.96 52.40 3g6j s ALA 24 Cb -0.14 -3.12 0.05 0.00 0.00 0.00 0.00 23.12 19.92 3g6j s ALA 24 CO 0.01 0.21 0.55 -1.54 0.00 0.00 0.00 175.76 174.99 3g6j s SER 25 N -1.58 -0.49 0.00 0.00 1.04 -0.96 -4.70 113.70 107.01 3g6j s SER 25 Ca 0.48 0.47 0.00 0.00 0.48 0.00 0.00 55.95 57.38 3g6j s SER 25 Cb -0.19 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.40 3g6j s SER 25 CO 0.24 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.50 3g6j n GLY 26 N 0.97 0.65 3.36 7.32 0.00 -1.26 -1.87 105.19 114.36 3g6j n GLY 26 Ca -0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 3g6j n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3g6j s PHE 27 N -2.12 -0.35 -0.71 1.61 -0.71 -1.26 -4.42 117.98 110.01 3g6j s PHE 27 Ca 0.00 0.31 -0.26 0.00 -1.04 0.00 0.00 56.93 55.94 3g6j s PHE 27 Cb 0.00 0.31 -0.01 0.00 -1.21 0.00 0.00 43.02 42.10 3g6j s PHE 27 CO 0.00 -0.64 1.75 -1.54 -1.34 0.00 0.00 175.22 173.45 3g6j s SER 28 N -2.15 5.47 0.31 1.98 1.04 -1.26 -4.84 113.70 114.25 3g6j s SER 28 Ca -0.04 -0.08 0.13 0.00 0.48 0.00 0.00 55.95 56.44 3g6j s SER 28 Cb -0.00 -2.54 1.03 0.00 0.10 0.00 0.00 66.02 64.60 3g6j s SER 28 CO -0.04 -2.30 1.38 0.33 0.98 0.00 0.00 173.24 173.59 3g6j n PHE 29 N 12.16 0.89 0.19 5.02 7.35 -1.26 -1.23 117.46 140.57 3g6j n PHE 29 Ca 0.21 1.04 0.04 0.00 -0.76 0.00 0.00 57.45 57.98 3g6j n PHE 29 Cb 0.51 -1.36 0.37 0.00 0.35 0.00 0.00 39.48 39.34 3g6j n PHE 29 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 3g6j h THR 30 N 0.00 1.10 -0.00 -2.13 2.02 -1.92 -2.76 112.91 109.22 3g6j h THR 30 Ca 0.68 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 66.47 3g6j h THR 30 Cb 1.71 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.91 3g6j h THR 30 CO -0.72 0.37 -0.22 -1.54 0.37 0.00 0.00 175.52 173.78 3g6j n SER 31 N -3.83 0.43 -1.18 4.18 3.41 -0.37 -4.02 113.62 112.25 3g6j n SER 31 Ca -0.01 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 3g6j n SER 31 Cb 0.45 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 3g6j n SER 31 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3g6j n SER 32 N -1.22 1.36 -4.15 4.04 3.41 -1.04 -5.11 113.62 110.91 3g6j n SER 32 Ca 0.10 -0.70 -0.11 0.00 -0.26 0.00 0.00 58.87 57.90 3g6j n SER 32 Cb 0.32 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.17 3g6j n SER 32 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3g6j s SER 33 N -0.40 0.20 -0.01 4.04 1.04 -1.26 -4.17 113.70 113.13 3g6j s SER 33 Ca 0.00 -1.26 0.02 0.00 0.48 0.00 0.00 55.95 55.19 3g6j s SER 33 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.48 3g6j s SER 33 CO 0.00 -0.81 -0.06 -0.69 0.98 0.00 0.00 173.24 172.66 3g6j s VAL 34 N -4.09 0.50 0.11 5.02 1.01 -0.98 -2.20 120.40 119.77 3g6j s VAL 34 Ca 0.31 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.11 3g6j s VAL 34 Cb 0.07 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 3g6j s VAL 34 CO 0.07 0.16 0.00 -0.44 0.00 0.00 0.00 175.10 174.89 3g6j s SER 35 N 0.11 4.98 -0.26 3.32 0.01 0.44 -1.62 113.70 120.68 3g6j s SER 35 Ca -0.01 -0.22 -0.05 0.00 1.31 0.00 0.00 55.95 56.98 3g6j s SER 35 Cb -0.05 -1.16 0.00 0.00 0.21 0.00 0.00 66.02 65.01 3g6j s SER 35 CO -0.00 0.15 0.03 0.26 0.41 0.00 0.00 173.24 174.09 3g6j s TRP 36 N -1.40 3.08 0.16 2.43 0.52 -0.45 -0.89 118.94 122.39 3g6j s TRP 36 Ca 0.26 -0.96 0.08 0.00 0.02 0.00 0.00 56.10 55.50 3g6j s TRP 36 Cb -0.11 -2.19 -0.04 0.00 -1.15 0.00 0.00 33.47 29.98 3g6j s TRP 36 CO 0.18 -0.55 -0.06 0.08 0.02 0.00 0.00 176.95 176.62 3g6j s VAL 37 N 1.49 3.44 0.03 4.03 1.01 -0.28 0.67 120.40 130.79 3g6j s VAL 37 Ca 0.04 -1.48 -0.00 0.00 0.00 0.00 0.00 61.98 60.54 3g6j s VAL 37 Cb -0.16 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 3g6j s VAL 37 CO 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 175.10 175.01 3g6j s ARG 38 N -2.73 0.45 -0.20 2.72 1.70 -0.03 0.61 118.95 121.46 3g6j s ARG 38 Ca 0.25 -0.86 -0.03 0.00 -0.47 0.00 0.00 55.73 54.62 3g6j s ARG 38 Cb -0.09 0.12 0.06 0.00 -0.57 0.00 0.00 34.95 34.46 3g6j s ARG 38 CO 0.16 -0.07 0.04 -1.14 -1.08 0.00 0.00 175.30 173.21 3g6j s GLN 39 N -2.43 0.66 0.60 3.89 0.74 0.07 -0.04 119.66 123.14 3g6j s GLN 39 Ca -0.06 -0.46 -0.19 0.00 0.05 0.00 0.00 55.36 54.70 3g6j s GLN 39 Cb -0.03 -2.10 -0.03 0.00 1.10 0.00 0.00 33.01 31.94 3g6j s GLN 39 CO -0.04 -0.66 1.24 0.00 -0.55 0.00 0.00 175.29 175.27 3g6j s ALA 40 N 1.85 2.53 -0.33 1.58 0.00 -1.26 -1.43 121.76 124.71 3g6j s ALA 40 Ca -0.00 1.08 -0.41 0.00 0.00 0.00 0.00 51.96 52.63 3g6j s ALA 40 Cb -0.17 -3.48 -0.16 0.00 0.00 0.00 0.00 23.12 19.31 3g6j s ALA 40 CO -0.09 -1.27 1.80 -2.30 0.00 0.00 0.00 175.76 173.90 3g6j n PRO 41 N -1.60 0.96 -2.91 0.00 -0.02 -1.26 -1.09 135.00 129.07 3g6j n PRO 41 Ca 0.14 0.34 -0.22 0.00 -2.02 0.00 0.00 63.50 61.74 3g6j n PRO 41 Cb 0.49 -2.04 0.02 0.00 -0.02 0.00 0.00 33.50 31.95 3g6j n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g6j n GLY 42 N 4.62 -0.51 1.02 -1.23 0.00 -1.26 -4.99 105.19 102.84 3g6j n GLY 42 Ca 0.30 0.09 -0.07 0.00 0.00 0.00 0.00 46.02 46.34 3g6j n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g6j n LYS 43 N -3.72 0.66 -1.38 1.61 5.02 -0.25 -5.16 118.16 114.94 3g6j n LYS 43 Ca -0.13 -1.06 -0.29 0.00 -2.02 0.00 0.00 58.31 54.81 3g6j n LYS 43 Cb 0.62 0.64 0.13 0.00 -0.02 0.00 0.00 35.03 36.40 3g6j n LYS 43 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3g6j s GLY 44 N -1.76 1.60 0.24 0.72 0.00 -1.26 -4.61 107.32 102.24 3g6j s GLY 44 Ca 0.08 -0.27 -0.30 0.00 0.00 0.00 0.00 44.72 44.23 3g6j s GLY 44 CO 0.05 0.24 1.12 1.08 0.00 0.00 0.00 173.10 175.59 3g6j s LEU 45 N -6.10 4.52 -0.18 0.66 1.43 -1.26 -4.10 118.68 113.65 3g6j s LEU 45 Ca 0.63 2.22 0.00 0.00 -1.03 0.00 0.00 54.13 55.95 3g6j s LEU 45 Cb -0.16 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.48 3g6j s LEU 45 CO 0.55 -0.20 -0.08 -0.70 0.23 0.00 0.00 176.35 176.15 3g6j s GLU 46 N -0.96 1.76 0.18 1.70 2.12 0.94 -4.97 118.70 119.47 3g6j s GLU 46 Ca 0.47 -0.66 -0.31 0.00 0.36 0.00 0.00 54.97 54.83 3g6j s GLU 46 Cb -0.31 -2.19 -0.09 0.00 0.26 0.00 0.00 34.13 31.79 3g6j s GLU 46 CO 0.39 -0.41 1.45 -0.46 -0.54 0.00 0.00 175.26 175.69 3g6j s TRP 47 N 1.52 3.12 -0.27 5.30 -0.00 -1.26 -0.85 118.94 126.50 3g6j s TRP 47 Ca 0.00 0.90 -0.15 0.00 -0.00 0.00 0.00 56.10 56.85 3g6j s TRP 47 Cb -0.15 -3.80 -0.11 0.00 -0.00 0.00 0.00 33.47 29.41 3g6j s TRP 47 CO -0.08 -2.76 -0.36 0.28 -0.00 0.00 0.00 176.95 174.03 3g6j n VAL 48 N 3.33 1.53 -3.60 5.86 0.31 0.21 -4.64 118.33 121.33 3g6j n VAL 48 Ca 0.10 -0.32 -0.05 0.00 -0.01 0.00 0.00 64.34 64.07 3g6j n VAL 48 Cb 0.40 -1.94 -0.03 0.00 -0.91 0.00 0.00 33.84 31.36 3g6j n VAL 48 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3g6j s GLY 49 N -5.43 -0.21 0.49 2.92 0.00 -1.15 -1.48 107.32 102.46 3g6j s GLY 49 Ca -0.38 1.92 0.01 0.00 0.00 0.00 0.00 44.72 46.28 3g6j s GLY 49 CO 0.48 0.72 0.70 1.08 0.00 0.00 0.00 173.10 176.08 3g6j s LEU 50 N -1.79 3.50 -0.09 0.66 1.43 -0.94 -1.34 118.68 120.11 3g6j s LEU 50 Ca 0.08 0.09 -0.06 0.00 -1.03 0.00 0.00 54.13 53.21 3g6j s LEU 50 Cb -0.01 -2.99 0.03 0.00 0.03 0.00 0.00 46.19 43.26 3g6j s LEU 50 CO -0.05 -0.88 0.22 -0.51 0.23 0.00 0.00 176.35 175.36 3g6j s ILE 51 N -2.62 -0.02 -0.79 -0.59 2.07 -0.64 -3.71 121.20 114.90 3g6j s ILE 51 Ca 0.52 0.08 -0.16 0.00 -1.41 0.00 0.00 60.65 59.69 3g6j s ILE 51 Cb -0.10 -0.33 0.18 0.00 0.13 0.00 0.00 42.46 42.34 3g6j s ILE 51 CO 0.37 0.03 0.80 -0.31 -1.91 0.00 0.00 174.94 173.93 3g6j s TYR 52 N 0.68 3.52 0.50 3.50 1.51 0.01 -2.31 117.35 124.76 3g6j s TYR 52 Ca -0.05 -1.71 0.30 0.00 -1.01 0.00 0.00 57.07 54.60 3g6j s TYR 52 Cb -0.06 -3.92 1.41 0.00 -0.11 0.00 0.00 41.96 39.28 3g6j s TYR 52 CO -0.04 -1.11 1.83 -1.35 -1.11 0.00 0.00 175.55 173.76 3g6j h PRO 52 N 8.22 0.10 -0.46 -1.71 0.11 -1.80 0.41 132.00 136.88 3g6j h PRO 52 Ca 0.04 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.22 3g6j h PRO 52 Cb 1.05 -0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.04 3g6j h PRO 52 CO 0.88 0.07 -0.37 -0.92 -0.21 0.00 0.00 178.00 177.45 3g6j h TYR 53 N 0.11 -1.04 0.00 0.65 3.20 -1.81 -3.28 116.97 114.80 3g6j h TYR 53 Ca 0.52 0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.46 3g6j h TYR 53 Cb 1.87 0.52 0.00 0.00 1.54 0.00 0.00 36.73 40.66 3g6j h TYR 53 CO -0.00 -0.40 -0.09 0.27 -1.64 0.00 0.00 178.16 176.29 3g6j n ASN 54 N -5.42 1.17 -0.43 -2.11 6.94 -0.70 -5.03 115.26 109.67 3g6j n ASN 54 Ca 0.01 -1.97 -0.06 0.00 -0.02 0.00 0.00 54.58 52.55 3g6j n ASN 54 Cb 0.35 -0.13 -0.02 0.00 -2.36 0.00 0.00 39.78 37.61 3g6j n ASN 54 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3g6j n GLY 55 N -0.48 0.80 3.74 4.83 0.00 0.14 -5.00 105.19 109.22 3g6j n GLY 55 Ca 0.04 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 3g6j n GLY 55 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3g6j s PHE 56 N -2.14 3.33 0.28 1.61 5.36 -1.22 -4.73 117.98 120.48 3g6j s PHE 56 Ca 0.00 1.34 0.12 0.00 -0.96 0.00 0.00 56.93 57.43 3g6j s PHE 56 Cb 0.00 -3.52 -0.05 0.00 -0.34 0.00 0.00 43.02 39.11 3g6j s PHE 56 CO 0.00 -1.53 -0.20 -0.80 -1.46 0.00 0.00 175.22 171.24 3g6j s ASN 57 N 0.13 3.58 -0.00 6.13 0.01 -1.26 -0.81 114.94 122.71 3g6j s ASN 57 Ca 0.54 -1.03 -0.02 0.00 -0.71 0.00 0.00 52.86 51.64 3g6j s ASN 57 Cb -0.35 -0.30 -0.00 0.00 0.41 0.00 0.00 41.25 41.01 3g6j s ASN 57 CO 0.39 0.04 0.03 -0.31 -1.51 0.00 0.00 177.10 175.73 3g6j s TYR 58 N -2.52 0.05 -0.02 2.20 2.02 -1.24 -4.96 117.35 112.88 3g6j s TYR 58 Ca 0.30 -0.09 0.01 0.00 -0.37 0.00 0.00 57.07 56.92 3g6j s TYR 58 Cb -0.05 -0.05 0.01 0.00 -0.40 0.00 0.00 41.96 41.47 3g6j s TYR 58 CO 0.15 -0.09 -0.04 0.71 -1.57 0.00 0.00 175.55 174.71 3g6j s TYR 59 N -0.51 0.47 0.32 2.71 1.51 -1.26 -2.21 117.35 118.38 3g6j s TYR 59 Ca -0.06 -0.09 -0.29 0.00 -1.01 0.00 0.00 57.07 55.62 3g6j s TYR 59 Cb -0.04 -0.38 -0.12 0.00 -0.11 0.00 0.00 41.96 41.31 3g6j s TYR 59 CO -0.00 -0.06 1.42 0.00 -1.11 0.00 0.00 175.55 175.80 3g6j n ALA 60 N 3.39 1.77 -0.15 3.71 0.00 -0.55 -4.81 120.51 123.88 3g6j n ALA 60 Ca -0.18 0.37 0.11 0.00 0.00 0.00 0.00 53.44 53.73 3g6j n ALA 60 Cb 0.55 -2.34 0.44 0.00 0.00 0.00 0.00 19.45 18.10 3g6j n ALA 60 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3g6j h ASP 61 N 3.42 0.51 0.00 0.00 3.32 -1.95 -0.03 116.42 121.69 3g6j h ASP 61 Ca -0.47 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3g6j h ASP 61 Cb 1.26 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3g6j h ASP 61 CO 0.69 0.30 0.03 -1.54 -1.72 0.00 0.00 179.24 177.00 3g6j n SER 62 N -4.49 0.00 0.00 6.45 3.41 -1.26 -2.36 113.62 115.37 3g6j n SER 62 Ca 0.12 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 3g6j n SER 62 Cb 0.37 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3g6j n SER 62 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3g6j n VAL 63 N -1.32 0.00 -1.70 -3.33 3.14 -0.08 -5.04 118.33 110.00 3g6j n VAL 63 Ca 0.00 -0.05 -0.43 0.00 -2.96 0.00 0.00 64.34 60.89 3g6j n VAL 63 Cb 0.03 0.41 -0.02 0.00 -1.06 0.00 0.00 33.84 33.20 3g6j n VAL 63 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 3g6j n LYS 64 N -0.59 2.31 -0.63 1.45 4.81 -0.88 -1.36 118.16 123.27 3g6j n LYS 64 Ca 0.00 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 3g6j n LYS 64 Cb 0.00 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 32.53 3g6j n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3g6j n GLY 65 N 2.02 1.36 0.92 3.14 0.00 -1.26 -4.77 105.19 106.60 3g6j n GLY 65 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3g6j n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g6j n ARG 66 N -2.00 0.00 -3.72 1.61 1.74 -0.46 -5.01 116.66 108.82 3g6j n ARG 66 Ca 0.00 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.88 3g6j n ARG 66 Cb 0.00 -0.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.92 3g6j n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3g6j s PHE 67 N -1.93 3.18 -0.24 -1.55 0.40 -0.51 -1.76 117.98 115.57 3g6j s PHE 67 Ca 0.00 -0.16 -0.23 0.00 -0.60 0.00 0.00 56.93 55.94 3g6j s PHE 67 Cb 0.00 -1.79 0.06 0.00 0.51 0.00 0.00 43.02 41.80 3g6j s PHE 67 CO 0.00 0.19 0.65 0.99 0.70 0.00 0.00 175.22 177.75 3g6j s THR 68 N -2.13 0.00 -0.11 0.64 2.01 -0.59 -4.86 115.64 110.59 3g6j s THR 68 Ca 0.40 -0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.43 3g6j s THR 68 Cb -0.09 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.52 3g6j s THR 68 CO 0.29 -0.00 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.36 3g6j s ILE 69 N 0.30 2.07 0.42 1.82 1.01 -1.26 -0.06 121.20 125.50 3g6j s ILE 69 Ca -0.00 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.68 3g6j s ILE 69 Cb -0.04 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 3g6j s ILE 69 CO 0.01 0.56 0.10 -0.94 0.00 0.00 0.00 174.94 174.67 3g6j s SER 70 N 0.50 3.01 -0.17 3.58 1.04 -0.04 -4.95 113.70 116.68 3g6j s SER 70 Ca -0.15 -1.64 -0.17 0.00 0.48 0.00 0.00 55.95 54.47 3g6j s SER 70 Cb -0.17 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.44 3g6j s SER 70 CO 0.05 -0.89 0.48 0.00 0.98 0.00 0.00 173.24 173.86 3g6j s ALA 71 N -3.15 -1.18 -0.35 5.32 0.00 -1.26 0.52 121.76 121.66 3g6j s ALA 71 Ca 0.22 1.30 -0.12 0.00 0.00 0.00 0.00 51.96 53.36 3g6j s ALA 71 Cb 0.03 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 3g6j s ALA 71 CO 0.13 -0.23 0.23 1.21 0.00 0.00 0.00 175.76 177.10 3g6j s ASN 72 N 0.15 5.94 0.41 0.00 3.84 -0.57 -4.98 114.94 119.73 3g6j s ASN 72 Ca -0.01 -0.57 0.21 0.00 0.21 0.00 0.00 52.86 52.71 3g6j s ASN 72 Cb -0.03 -2.11 0.29 0.00 -0.55 0.00 0.00 41.25 38.85 3g6j s ASN 72 CO 0.01 -0.27 1.58 0.71 -2.79 0.00 0.00 177.10 176.34 3g6j h THR 73 N 5.58 0.17 0.02 -5.21 1.35 -1.93 -2.35 112.91 110.54 3g6j h THR 73 Ca -0.30 -1.23 -0.23 0.00 -0.55 0.00 0.00 66.41 64.09 3g6j h THR 73 Cb 1.14 2.08 -0.03 0.00 -1.73 0.00 0.00 68.15 69.62 3g6j h THR 73 CO 0.65 0.10 -1.10 0.77 -0.25 0.00 0.00 175.52 175.68 3g6j h SER 74 N 0.00 0.07 -0.59 5.36 4.64 -1.95 -3.24 113.55 117.84 3g6j h SER 74 Ca -0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3g6j h SER 74 Cb 1.07 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3g6j h SER 74 CO 0.01 1.07 0.00 0.29 -0.87 0.00 0.00 176.83 177.33 3g6j n LYS 75 N -3.36 4.64 -3.57 4.77 4.01 -1.17 -4.95 118.16 118.53 3g6j n LYS 75 Ca -0.03 -3.09 -0.22 0.00 -0.51 0.00 0.00 58.31 54.47 3g6j n LYS 75 Cb 0.96 -2.19 -0.06 0.00 -0.51 0.00 0.00 35.03 33.24 3g6j n LYS 75 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3g6j n ASN 76 N 0.75 0.03 -4.42 4.39 5.03 -1.03 -4.76 115.26 115.24 3g6j n ASN 76 Ca 0.27 -0.80 -0.30 0.00 0.87 0.00 0.00 54.58 54.62 3g6j n ASN 76 Cb 1.13 -1.00 -0.13 0.00 -1.02 0.00 0.00 39.78 38.76 3g6j n ASN 76 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3g6j s THR 77 N -3.40 2.53 0.21 3.41 2.01 -0.91 -1.01 115.64 118.47 3g6j s THR 77 Ca 0.17 -1.43 0.09 0.00 0.31 0.00 0.00 61.69 60.83 3g6j s THR 77 Cb -0.10 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 3g6j s THR 77 CO 0.64 0.24 -0.07 0.00 -0.69 0.00 0.00 174.62 174.73 3g6j s ALA 78 N -0.97 3.01 -0.00 7.40 0.00 -0.46 -1.51 121.76 129.23 3g6j s ALA 78 Ca 0.15 -1.53 0.02 0.00 0.00 0.00 0.00 51.96 50.60 3g6j s ALA 78 Cb -0.10 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 3g6j s ALA 78 CO 0.06 0.41 -0.08 0.71 0.00 0.00 0.00 175.76 176.86 3g6j s TYR 79 N -1.91 0.67 -0.34 0.00 2.02 0.18 -0.45 117.35 117.53 3g6j s TYR 79 Ca 0.27 -0.16 -0.02 0.00 -0.37 0.00 0.00 57.07 56.79 3g6j s TYR 79 Cb -0.08 -0.43 0.07 0.00 -0.40 0.00 0.00 41.96 41.12 3g6j s TYR 79 CO 0.17 -0.01 0.08 -1.17 -1.57 0.00 0.00 175.55 173.04 3g6j s LEU 80 N -0.31 4.44 -0.36 -1.29 2.96 -0.45 -0.86 118.68 122.82 3g6j s LEU 80 Ca 0.02 -1.57 -0.21 0.00 -0.22 0.00 0.00 54.13 52.14 3g6j s LEU 80 Cb -0.04 -1.76 0.00 0.00 0.50 0.00 0.00 46.19 44.90 3g6j s LEU 80 CO -0.00 -0.37 0.67 -1.58 -1.32 0.00 0.00 176.35 173.75 3g6j s GLN 81 N 1.20 3.70 -0.13 1.98 2.00 0.91 -1.33 119.66 127.99 3g6j s GLN 81 Ca 0.01 0.11 -0.07 0.00 -2.00 0.00 0.00 55.36 53.41 3g6j s GLN 81 Cb -0.21 -3.81 -0.04 0.00 0.80 0.00 0.00 33.01 29.76 3g6j s GLN 81 CO -0.02 -0.75 0.13 -1.64 -0.50 0.00 0.00 175.29 172.50 3g6j s MET 82 N 2.78 3.54 0.05 1.67 -1.94 0.12 -1.55 119.30 123.99 3g6j s MET 82 Ca 0.26 -0.17 0.02 0.00 -1.71 0.00 0.00 55.69 54.09 3g6j s MET 82 Cb -0.14 -3.20 -0.03 0.00 2.01 0.00 0.00 34.83 33.47 3g6j s MET 82 CO 0.15 0.69 -0.07 -0.80 -0.01 0.00 0.00 175.02 174.98 3g6j s ASN 82 N -0.77 0.89 -1.28 3.03 0.01 -0.72 -2.01 114.94 114.08 3g6j s ASN 82 Ca 0.14 -0.65 -0.00 0.00 -0.71 0.00 0.00 52.86 51.63 3g6j s ASN 82 Cb -0.12 0.05 -0.00 0.00 0.41 0.00 0.00 41.25 41.60 3g6j s ASN 82 CO 0.03 -0.27 0.77 -1.20 -1.51 0.00 0.00 177.10 174.92 3g6j n SER 82 N 1.12 -1.41 -4.77 -1.22 7.64 -1.17 -4.63 113.62 109.17 3g6j n SER 82 Ca -0.20 -0.77 -0.41 0.00 1.01 0.00 0.00 58.87 58.50 3g6j n SER 82 Cb 0.56 -4.32 -0.01 0.00 -1.01 0.00 0.00 64.21 59.44 3g6j n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3g6j s LEU 82 N -6.59 4.34 0.45 -3.43 1.43 -0.95 -4.72 118.68 109.22 3g6j s LEU 82 Ca 0.01 2.87 0.06 0.00 -1.03 0.00 0.00 54.13 56.04 3g6j s LEU 82 Cb -0.00 -3.69 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 3g6j s LEU 82 CO 0.79 -0.75 0.22 -0.13 0.23 0.00 0.00 176.35 176.71 3g6j s ARG 83 N -2.01 2.25 0.14 1.70 0.52 -1.26 -0.63 118.95 119.66 3g6j s ARG 83 Ca 0.52 -1.91 -0.17 0.00 -0.52 0.00 0.00 55.73 53.65 3g6j s ARG 83 Cb -0.43 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.05 3g6j s ARG 83 CO 0.58 -0.24 1.79 0.00 0.02 0.00 0.00 175.30 177.45 3g6j h ALA 84 N 1.26 0.40 0.00 2.13 0.00 -1.96 -2.73 119.26 118.36 3g6j h ALA 84 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3g6j h ALA 84 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3g6j h ALA 84 CO 0.67 -0.17 0.00 -0.85 0.00 0.00 0.00 179.25 178.90 3g6j n GLU 85 N -4.91 0.64 0.00 0.00 0.00 -1.26 -1.87 120.64 113.24 3g6j n GLU 85 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.28 3g6j n GLU 85 Cb 0.05 -1.20 0.30 0.00 0.00 0.00 0.00 31.44 30.59 3g6j n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3g6j n ASP 86 N -0.70 2.12 -4.66 -1.84 8.00 -1.03 -4.92 116.55 113.52 3g6j n ASP 86 Ca 0.06 -1.66 -0.42 0.00 0.71 0.00 0.00 54.79 53.48 3g6j n ASP 86 Cb 0.03 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 3g6j n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3g6j s THR 87 N -2.08 3.63 0.10 -3.53 2.01 -0.78 -4.92 115.64 110.06 3g6j s THR 87 Ca 0.31 0.78 -0.27 0.00 0.31 0.00 0.00 61.69 62.82 3g6j s THR 87 Cb 0.20 -3.50 0.08 0.00 0.01 0.00 0.00 72.50 69.30 3g6j s THR 87 CO 0.35 -0.06 1.08 0.00 -0.69 0.00 0.00 174.62 175.30 3g6j s ALA 88 N 3.90 -1.86 -0.04 7.40 0.00 -0.91 -4.31 121.76 125.94 3g6j s ALA 88 Ca 0.72 0.26 -0.21 0.00 0.00 0.00 0.00 51.96 52.73 3g6j s ALA 88 Cb -0.33 0.56 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 3g6j s ALA 88 CO 0.28 -1.05 0.61 0.08 0.00 0.00 0.00 175.76 175.68 3g6j s VAL 89 N -2.87 5.00 -0.29 0.00 1.01 -0.51 -1.46 120.40 121.27 3g6j s VAL 89 Ca 0.14 1.26 -0.06 0.00 0.00 0.00 0.00 61.98 63.31 3g6j s VAL 89 Cb 0.01 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.45 3g6j s VAL 89 CO 0.01 0.35 0.07 -0.31 0.00 0.00 0.00 175.10 175.21 3g6j s TYR 90 N 0.27 3.13 0.14 5.22 1.51 0.28 -0.75 117.35 127.15 3g6j s TYR 90 Ca 0.32 -0.98 0.02 0.00 -1.01 0.00 0.00 57.07 55.43 3g6j s TYR 90 Cb -0.17 -2.24 -0.04 0.00 -0.11 0.00 0.00 41.96 39.40 3g6j s TYR 90 CO 0.16 -0.57 0.26 0.71 -1.11 0.00 0.00 175.55 175.01 3g6j s TYR 91 N 1.50 3.46 -0.03 2.71 1.51 0.20 -2.24 117.35 124.46 3g6j s TYR 91 Ca 0.03 0.12 0.07 0.00 -1.01 0.00 0.00 57.07 56.28 3g6j s TYR 91 Cb -0.17 -1.67 -0.02 0.00 -0.11 0.00 0.00 41.96 40.00 3g6j s TYR 91 CO 0.02 0.52 -0.25 0.00 -1.11 0.00 0.00 175.55 174.73 3g6j s ALA 93 N -0.47 1.05 -0.01 0.00 0.00 -0.07 -1.64 121.76 120.63 3g6j s ALA 93 Ca 0.06 -1.09 -0.25 0.00 0.00 0.00 0.00 51.96 50.67 3g6j s ALA 93 Cb -0.11 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 3g6j s ALA 93 CO 0.00 0.01 0.77 0.50 0.00 0.00 0.00 175.76 177.04 3g6j s ARG 94 N -2.42 4.48 -0.25 0.00 3.52 -0.41 -0.42 118.95 123.46 3g6j s ARG 94 Ca 0.02 1.04 -0.20 0.00 -0.13 0.00 0.00 55.73 56.46 3g6j s ARG 94 Cb -0.05 -3.41 -0.02 0.00 -1.56 0.00 0.00 34.95 29.91 3g6j s ARG 94 CO 0.01 0.15 0.61 -0.80 -0.81 0.00 0.00 175.30 174.46 3g6j s ASN 95 N 0.44 6.58 -0.01 -2.12 0.01 -0.93 -2.56 114.94 116.35 3g6j s ASN 95 Ca 0.40 0.70 0.06 0.00 -0.71 0.00 0.00 52.86 53.31 3g6j s ASN 95 Cb -0.19 -2.33 -0.03 0.00 0.41 0.00 0.00 41.25 39.11 3g6j s ASN 95 CO 0.22 -0.34 -0.18 0.00 -1.51 0.00 0.00 177.10 175.28 3g6j s ALA 96 N 2.38 2.54 -1.03 0.60 0.00 0.15 -4.30 121.76 122.11 3g6j s ALA 96 Ca 0.26 -1.09 0.14 0.00 0.00 0.00 0.00 51.96 51.27 3g6j s ALA 96 Cb -0.16 -0.80 0.61 0.00 0.00 0.00 0.00 23.12 22.77 3g6j s ALA 96 CO 0.09 0.56 1.48 1.28 0.00 0.00 0.00 175.76 179.16 3g6j n LEU 97 N 2.04 4.16 0.00 0.00 4.77 -1.26 0.09 117.00 126.80 3g6j n LEU 97 Ca -0.17 -2.10 0.00 0.00 -0.03 0.00 0.00 56.01 53.71 3g6j n LEU 97 Cb 0.52 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3g6j n LEU 97 CO 0.25 0.65 0.00 0.00 -1.33 0.00 0.00 177.39 176.96 3g6j n TYR 98 N 0.79 0.00 0.00 -1.77 0.18 -1.26 -4.44 117.16 110.66 3g6j n TYR 98 Ca 0.21 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.99 3g6j n TYR 98 Cb 0.81 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.77 3g6j n TYR 98 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3g6j n GLY 99 N 0.00 1.24 3.10 -7.48 0.00 -1.26 -5.11 105.19 95.67 3g6j n GLY 99 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3g6j n GLY 99 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g6j s SER 100 N -1.09 -1.17 -0.79 1.61 1.04 -1.26 -5.17 113.70 106.88 3g6j s SER 100 Ca 0.00 -0.32 -0.31 0.00 0.48 0.00 0.00 55.95 55.80 3g6j s SER 100 Cb 0.00 1.57 -0.17 0.00 0.10 0.00 0.00 66.02 67.52 3g6j s SER 100 CO 0.00 -0.16 2.55 0.61 0.98 0.00 0.00 173.24 177.22 3g6j n GLY 100 N 4.59 -0.22 0.00 7.32 0.00 -1.26 -5.26 105.19 110.35 3g6j n GLY 100 Ca 0.08 1.02 0.00 0.00 0.00 0.00 0.00 46.02 47.12 3g6j n GLY 100 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3g6j n TYR 100 N 11.50 0.00 -4.15 1.61 0.18 -1.26 -5.11 117.16 119.93 3g6j n TYR 100 Ca 0.56 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 60.12 3g6j n TYR 100 Cb 0.16 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.06 3g6j n TYR 100 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3g6j s ALA 100 N -1.61 3.42 -0.41 -3.48 0.00 0.11 -4.89 121.76 114.91 3g6j s ALA 100 Ca 0.00 -1.67 -0.03 0.00 0.00 0.00 0.00 51.96 50.25 3g6j s ALA 100 Cb 0.00 -0.89 0.11 0.00 0.00 0.00 0.00 23.12 22.34 3g6j s ALA 100 CO 0.00 0.16 0.21 -1.64 0.00 0.00 0.00 175.76 174.49 3g6j s MET 100 N -3.79 2.04 -0.11 0.00 1.00 -1.26 0.34 119.30 117.52 3g6j s MET 100 Ca 0.35 -1.80 0.10 0.00 0.00 0.00 0.00 55.69 54.34 3g6j s MET 100 Cb -0.05 -3.59 -0.24 0.00 0.00 0.00 0.00 34.83 30.95 3g6j s MET 100 CO 0.22 -1.07 0.40 -0.40 0.00 0.00 0.00 175.02 174.17 3g6j n ASP 101 N 4.61 0.95 -4.40 3.03 5.75 -1.06 -4.85 116.55 120.58 3g6j n ASP 101 Ca -0.03 0.24 -0.32 0.00 -0.01 0.00 0.00 54.79 54.67 3g6j n ASP 101 Cb 0.41 0.04 -0.14 0.00 -1.03 0.00 0.00 41.12 40.40 3g6j n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3g6j s TYR 102 N -2.56 2.55 0.08 2.11 1.51 -1.26 -5.01 117.35 114.76 3g6j s TYR 102 Ca -0.11 -0.31 0.07 0.00 -1.01 0.00 0.00 57.07 55.71 3g6j s TYR 102 Cb 0.07 -1.58 -0.03 0.00 -0.11 0.00 0.00 41.96 40.31 3g6j s TYR 102 CO 0.80 0.07 -0.18 -1.58 -1.11 0.00 0.00 175.55 173.55 3g6j s TRP 103 N -0.63 1.52 1.00 2.71 0.52 -1.26 -1.28 118.94 121.52 3g6j s TRP 103 Ca 0.10 -0.42 -0.17 0.00 0.02 0.00 0.00 56.10 55.63 3g6j s TRP 103 Cb -0.11 -0.86 0.21 0.00 -1.15 0.00 0.00 33.47 31.57 3g6j s TRP 103 CO 0.00 0.12 1.30 0.20 0.02 0.00 0.00 176.95 178.59 3g6j s GLY 104 N -1.65 1.76 0.20 0.98 0.00 -0.65 -4.59 107.32 103.36 3g6j s GLY 104 Ca 0.03 -1.18 0.11 0.00 0.00 0.00 0.00 44.72 43.68 3g6j s GLY 104 CO 0.03 -0.39 1.38 0.06 0.00 0.00 0.00 173.10 174.18 3g6j h GLN 105 N -1.78 0.00 0.00 2.90 -0.00 -1.91 -3.45 115.11 110.87 3g6j h GLN 105 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.21 3g6j h GLN 105 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.72 3g6j h GLN 105 CO 0.37 0.75 0.00 0.41 -0.00 0.00 0.00 178.83 180.36 3g6j n GLY 106 N 1.20 1.51 3.12 0.06 0.00 -1.26 -4.98 105.19 104.84 3g6j n GLY 106 Ca 0.01 -1.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.05 3g6j n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g6j s THR 107 N -2.67 1.11 -0.17 2.61 -4.23 -0.95 -4.86 115.64 106.49 3g6j s THR 107 Ca 0.00 -0.79 -0.20 0.00 -1.18 0.00 0.00 61.69 59.52 3g6j s THR 107 Cb 0.00 -0.96 -0.03 0.00 1.34 0.00 0.00 72.50 72.85 3g6j s THR 107 CO 0.00 0.17 0.58 -0.22 -0.54 0.00 0.00 174.62 174.60 3g6j s LEU 108 N -0.71 4.19 -0.12 4.79 0.20 -1.26 -0.56 118.68 125.20 3g6j s LEU 108 Ca 0.04 0.83 0.01 0.00 0.69 0.00 0.00 54.13 55.69 3g6j s LEU 108 Cb -0.07 -2.82 -0.01 0.00 -0.43 0.00 0.00 46.19 42.86 3g6j s LEU 108 CO 0.00 -0.18 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.04 3g6j s VAL 109 N 1.46 2.85 -0.11 1.68 1.01 -0.54 -2.18 120.40 124.57 3g6j s VAL 109 Ca 0.28 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3g6j s VAL 109 Cb -0.16 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.07 3g6j s VAL 109 CO 0.11 0.53 -0.10 0.28 0.00 0.00 0.00 175.10 175.92 3g6j s THR 110 N 0.35 1.17 -0.67 3.92 -1.32 -0.31 -2.14 115.64 116.65 3g6j s THR 110 Ca -0.13 -0.40 -0.07 0.00 -1.21 0.00 0.00 61.69 59.89 3g6j s THR 110 Cb -0.16 -1.15 0.17 0.00 -1.51 0.00 0.00 72.50 69.86 3g6j s THR 110 CO 0.06 0.39 0.53 -0.69 -2.21 0.00 0.00 174.62 172.70 3g6j s VAL 111 N 1.49 4.33 0.04 5.08 1.01 -1.26 -1.43 120.40 129.65 3g6j s VAL 111 Ca 0.02 -2.70 -0.02 0.00 0.00 0.00 0.00 61.98 59.29 3g6j s VAL 111 Cb -0.13 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 3g6j s VAL 111 CO -0.07 -0.91 -0.00 -0.55 0.00 0.00 0.00 175.10 173.57 3g6j s SER 112 N 1.33 0.34 0.30 3.32 0.15 -0.71 -4.48 113.70 113.94 3g6j s SER 112 Ca 0.16 -0.73 0.08 0.00 0.70 0.00 0.00 55.95 56.16 3g6j s SER 112 Cb -0.18 0.17 0.48 0.00 -1.71 0.00 0.00 66.02 64.78 3g6j s SER 112 CO -0.05 -0.48 1.70 0.28 1.20 0.00 0.00 173.24 175.90 3g6j h SER 113 N 3.78 0.18 -2.19 5.45 0.02 -1.96 -3.37 113.55 115.46 3g6j h SER 113 Ca -0.33 -0.08 -0.49 0.00 -0.84 0.00 0.00 61.79 60.05 3g6j h SER 113 Cb 1.17 -0.05 0.24 0.00 0.14 0.00 0.00 62.40 63.90 3g6j h SER 113 CO 0.54 0.60 -1.45 0.00 -1.14 0.00 0.00 176.83 175.39 3g6j n ALA 114 N -2.47 -4.39 -2.77 3.77 0.00 -1.26 -5.00 120.51 108.40 3g6j n ALA 114 Ca -0.02 -1.13 -0.33 0.00 0.00 0.00 0.00 53.44 51.97 3g6j n ALA 114 Cb 0.49 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.50 3g6j n ALA 114 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3g6j s SER 115 N -1.60 5.59 0.26 0.00 0.01 -1.26 -5.01 113.70 111.69 3g6j s SER 115 Ca 0.50 0.11 -0.31 0.00 1.31 0.00 0.00 55.95 57.56 3g6j s SER 115 Cb -0.09 -1.58 -0.12 0.00 0.21 0.00 0.00 66.02 64.44 3g6j s SER 115 CO 0.68 0.26 1.53 0.41 0.41 0.00 0.00 173.24 176.53 3g6j n THR 116 N 1.11 0.90 -3.76 1.44 -1.04 -1.26 -4.73 114.28 106.93 3g6j n THR 116 Ca -0.13 -0.22 -0.14 0.00 -2.04 0.00 0.00 64.05 61.52 3g6j n THR 116 Cb 0.53 -1.77 -0.15 0.00 -1.82 0.00 0.00 70.33 67.12 3g6j n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3g6j s LYS 117 N -0.32 0.07 0.45 -2.82 2.36 0.24 -4.96 119.74 114.76 3g6j s LYS 117 Ca 0.67 0.31 -0.12 0.00 -2.55 0.00 0.00 55.97 54.28 3g6j s LYS 117 Cb -0.56 -0.17 -0.07 0.00 -1.05 0.00 0.00 37.83 35.99 3g6j s LYS 117 CO 0.48 -0.15 0.85 0.20 1.55 0.00 0.00 175.35 178.27 3g6j s GLY 118 N 1.03 1.96 0.46 5.54 0.00 -1.26 -1.91 107.32 113.14 3g6j s GLY 118 Ca -0.08 -0.08 -0.19 0.00 0.00 0.00 0.00 44.72 44.36 3g6j s GLY 118 CO -0.05 0.14 0.97 2.56 0.00 0.00 0.00 173.10 176.72 3g6j s PRO 119 N -3.99 4.10 -0.16 2.90 0.04 -1.26 -4.40 135.00 132.24 3g6j s PRO 119 Ca 0.54 1.08 -0.16 0.00 0.04 0.00 0.00 61.00 62.49 3g6j s PRO 119 Cb -0.10 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 3g6j s PRO 119 CO 0.32 -0.14 0.39 -1.12 0.04 0.00 0.00 177.00 176.50 3g6j s SER 120 N -2.48 6.53 -0.24 6.66 0.01 0.23 -4.87 113.70 119.53 3g6j s SER 120 Ca 0.61 0.62 -0.04 0.00 1.31 0.00 0.00 55.95 58.45 3g6j s SER 120 Cb -0.10 -2.24 -0.00 0.00 0.21 0.00 0.00 66.02 63.89 3g6j s SER 120 CO 0.20 0.01 -0.02 -0.69 0.41 0.00 0.00 173.24 173.15 3g6j s VAL 121 N 0.79 3.47 0.00 3.43 1.01 -1.26 0.51 120.40 128.35 3g6j s VAL 121 Ca 0.21 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.72 3g6j s VAL 121 Cb -0.14 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 3g6j s VAL 121 CO 0.07 0.35 -0.26 -0.36 0.00 0.00 0.00 175.10 174.90 3g6j s PHE 122 N 1.48 2.27 0.33 5.22 0.08 0.30 -4.96 117.98 122.70 3g6j s PHE 122 Ca 0.05 -0.42 -0.29 0.00 0.12 0.00 0.00 56.93 56.39 3g6j s PHE 122 Cb -0.15 -1.43 -0.10 0.00 -0.57 0.00 0.00 43.02 40.77 3g6j s PHE 122 CO -0.02 0.01 1.36 -2.14 -0.10 0.00 0.00 175.22 174.33 3g6j s PRO 123 N -0.79 4.30 -0.49 0.24 0.02 -1.26 -0.55 135.00 136.47 3g6j s PRO 123 Ca 0.10 2.29 -0.09 0.00 0.02 0.00 0.00 61.00 63.32 3g6j s PRO 123 Cb -0.10 -3.06 0.12 0.00 0.02 0.00 0.00 34.50 31.49 3g6j s PRO 123 CO -0.00 -0.28 0.37 -0.51 -0.33 0.00 0.00 177.00 176.25 3g6j s LEU 124 N -1.65 5.74 0.29 -5.54 1.43 -0.74 -4.79 118.68 113.42 3g6j s LEU 124 Ca 0.51 -1.96 -0.29 0.00 -1.03 0.00 0.00 54.13 51.36 3g6j s LEU 124 Cb -0.41 -2.02 -0.09 0.00 0.03 0.00 0.00 46.19 43.69 3g6j s LEU 124 CO 0.53 -0.69 1.08 0.00 0.23 0.00 0.00 176.35 177.50 3g6j s ALA 125 N 1.29 3.37 0.25 4.21 0.00 -1.26 -2.10 121.76 127.53 3g6j s ALA 125 Ca 0.06 0.85 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 3g6j s ALA 125 Cb -0.26 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.46 3g6j s ALA 125 CO -0.01 -0.12 1.11 -1.25 0.00 0.00 0.00 175.76 175.49 3g6j s PRO 126 N -1.50 4.61 -0.51 0.00 0.04 -1.26 -4.93 135.00 131.45 3g6j s PRO 126 Ca 0.45 1.80 -0.24 0.00 0.04 0.00 0.00 61.00 63.06 3g6j s PRO 126 Cb -0.31 -3.21 0.04 0.00 0.04 0.00 0.00 34.50 31.06 3g6j s PRO 126 CO 0.39 0.15 0.89 0.45 0.04 0.00 0.00 177.00 178.92 3g6j s SER 127 N -0.62 6.38 -0.48 6.66 0.15 -1.26 -4.65 113.70 119.87 3g6j s SER 127 Ca 0.46 -0.24 -0.05 0.00 0.70 0.00 0.00 55.95 56.81 3g6j s SER 127 Cb -0.32 -2.42 -0.16 0.00 -1.71 0.00 0.00 66.02 61.42 3g6j s SER 127 CO 0.40 -1.11 1.05 -1.20 1.20 0.00 0.00 173.24 173.58 3g6j n SER 128 N 7.18 -0.62 0.26 5.45 7.64 -1.26 -5.04 113.62 127.23 3g6j n SER 128 Ca 0.02 -0.23 0.16 0.00 1.01 0.00 0.00 58.87 59.83 3g6j n SER 128 Cb 0.48 -0.27 0.54 0.00 -1.01 0.00 0.00 64.21 63.94 3g6j n SER 128 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3g6j h GLY 134 N 5.30 0.00 -5.82 0.23 0.00 -2.02 -3.55 103.07 97.21 3g6j h GLY 134 Ca 0.01 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.70 3g6j h GLY 134 CO 0.77 0.00 -0.72 -1.59 0.00 0.00 0.00 176.54 175.00 3g6j s THR 135 N -3.54 3.44 -0.20 4.70 2.01 -1.26 -2.29 115.64 118.50 3g6j s THR 135 Ca 0.03 -0.52 -0.04 0.00 0.31 0.00 0.00 61.69 61.47 3g6j s THR 135 Cb 0.08 -2.48 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 3g6j s THR 135 CO 0.58 0.50 -0.03 0.00 -0.69 0.00 0.00 174.62 174.98 3g6j s ALA 136 N 0.44 2.89 0.03 7.40 0.00 0.28 -4.78 121.76 128.02 3g6j s ALA 136 Ca -0.07 -1.06 -0.21 0.00 0.00 0.00 0.00 51.96 50.63 3g6j s ALA 136 Cb -0.15 -1.68 -0.06 0.00 0.00 0.00 0.00 23.12 21.23 3g6j s ALA 136 CO 0.04 -0.23 0.61 0.00 0.00 0.00 0.00 175.76 176.17 3g6j s ALA 137 N 1.15 3.51 0.10 0.00 0.00 -1.26 -1.75 121.76 123.50 3g6j s ALA 137 Ca 0.02 0.07 -0.05 0.00 0.00 0.00 0.00 51.96 52.00 3g6j s ALA 137 Cb -0.15 -2.74 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 3g6j s ALA 137 CO -0.00 0.23 0.12 -0.48 0.00 0.00 0.00 175.76 175.63 3g6j s LEU 138 N -0.50 1.71 0.00 0.00 0.05 -0.91 -4.27 118.68 114.77 3g6j s LEU 138 Ca 0.31 -0.89 0.00 0.00 0.05 0.00 0.00 54.13 53.61 3g6j s LEU 138 Cb -0.19 0.69 0.00 0.00 -2.05 0.00 0.00 46.19 44.64 3g6j s LEU 138 CO 0.19 -0.72 0.00 0.61 -0.55 0.00 0.00 176.35 175.88 3g6j n GLY 139 N -0.04 2.55 3.13 -3.48 0.00 -0.89 -0.54 105.19 105.91 3g6j n GLY 139 Ca -0.12 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 3g6j n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6j s LEU 141 N 0.29 3.76 -0.42 0.00 2.96 0.29 -1.23 118.68 124.33 3g6j s LEU 141 Ca -0.01 -0.43 -0.10 0.00 -0.22 0.00 0.00 54.13 53.37 3g6j s LEU 141 Cb -0.03 -1.94 0.07 0.00 0.50 0.00 0.00 46.19 44.79 3g6j s LEU 141 CO -0.01 -0.13 0.26 -0.69 -1.32 0.00 0.00 176.35 174.47 3g6j s VAL 142 N 1.59 4.33 0.07 1.68 1.01 -0.35 -0.54 120.40 128.19 3g6j s VAL 142 Ca 0.05 -1.31 0.09 0.00 0.00 0.00 0.00 61.98 60.81 3g6j s VAL 142 Cb -0.16 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 3g6j s VAL 142 CO 0.04 -0.47 -0.24 -0.75 0.00 0.00 0.00 175.10 173.68 3g6j s LYS 143 N 1.45 1.45 -0.59 2.72 2.20 0.18 -1.55 119.74 125.60 3g6j s LYS 143 Ca 0.03 -1.12 -0.13 0.00 -0.36 0.00 0.00 55.97 54.39 3g6j s LYS 143 Cb -0.23 -1.69 0.02 0.00 -1.51 0.00 0.00 37.83 34.42 3g6j s LYS 143 CO 0.03 0.42 0.64 -0.25 -0.36 0.00 0.00 175.35 175.83 3g6j n ASP 144 N 1.47 -7.04 -4.05 1.43 8.00 -0.76 0.74 116.55 116.35 3g6j n ASP 144 Ca -0.18 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.24 3g6j n ASP 144 Cb 0.53 -4.19 -0.10 0.00 -0.02 0.00 0.00 41.12 37.33 3g6j n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3g6j s TYR 145 N -2.60 0.45 -0.26 1.24 1.13 -0.97 -4.02 117.35 112.33 3g6j s TYR 145 Ca 0.16 -0.80 -0.25 0.00 -1.41 0.00 0.00 57.07 54.76 3g6j s TYR 145 Cb -0.03 -0.32 0.07 0.00 -1.10 0.00 0.00 41.96 40.58 3g6j s TYR 145 CO 0.80 -0.27 0.72 0.12 -2.51 0.00 0.00 175.55 174.41 3g6j s PHE 146 N -2.73 -0.78 0.06 -3.49 2.19 -0.80 -0.65 117.98 111.77 3g6j s PHE 146 Ca -0.03 1.87 -0.00 0.00 0.33 0.00 0.00 56.93 59.10 3g6j s PHE 146 Cb -0.01 0.28 0.01 0.00 -1.31 0.00 0.00 43.02 41.99 3g6j s PHE 146 CO -0.05 -0.39 0.08 -0.35 1.83 0.00 0.00 175.22 176.33 3g6j n PRO 147 N 2.57 0.54 -1.11 10.12 -0.04 -1.26 -0.59 135.00 145.23 3g6j n PRO 147 Ca -0.14 -0.21 -0.31 0.00 -0.04 0.00 0.00 63.50 62.80 3g6j n PRO 147 Cb 0.55 -0.05 0.11 0.00 -0.04 0.00 0.00 33.50 34.07 3g6j n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3g6j s GLU 148 N -2.61 1.87 0.46 0.54 0.41 -1.26 -4.78 118.70 113.34 3g6j s GLU 148 Ca 0.05 1.24 0.07 0.00 -0.41 0.00 0.00 54.97 55.93 3g6j s GLU 148 Cb -0.00 -1.85 0.01 0.00 -1.78 0.00 0.00 34.13 30.51 3g6j s GLU 148 CO 0.03 -1.94 0.44 -1.25 -0.49 0.00 0.00 175.26 172.05 3g6j s PRO 149 N -4.84 2.45 0.17 0.39 0.04 -1.26 -4.98 135.00 126.97 3g6j s PRO 149 Ca 0.63 -1.66 0.11 0.00 0.04 0.00 0.00 61.00 60.12 3g6j s PRO 149 Cb -0.19 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 3g6j s PRO 149 CO 0.57 -0.37 -0.22 0.08 0.04 0.00 0.00 177.00 177.09 3g6j s VAL 150 N -2.56 2.50 -0.25 -0.36 1.01 -1.26 -4.51 120.40 114.96 3g6j s VAL 150 Ca 0.47 -1.86 0.01 0.00 0.00 0.00 0.00 61.98 60.60 3g6j s VAL 150 Cb -0.03 -2.18 0.06 0.00 0.00 0.00 0.00 36.38 34.23 3g6j s VAL 150 CO 0.28 -0.04 -0.06 0.42 0.00 0.00 0.00 175.10 175.69 3g6j s THR 151 N -1.47 1.72 -0.14 3.92 -4.23 -0.92 -5.00 115.64 109.52 3g6j s THR 151 Ca 0.19 -1.37 -0.10 0.00 -1.18 0.00 0.00 61.69 59.23 3g6j s THR 151 Cb -0.09 -1.95 -0.05 0.00 1.34 0.00 0.00 72.50 71.75 3g6j s THR 151 CO 0.10 -0.10 0.20 -0.69 -0.54 0.00 0.00 174.62 173.58 3g6j s VAL 152 N 1.30 5.38 0.12 2.29 1.01 -1.26 -2.49 120.40 126.75 3g6j s VAL 152 Ca -0.06 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 3g6j s VAL 152 Cb -0.19 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3g6j s VAL 152 CO -0.06 0.50 0.04 -0.94 0.00 0.00 0.00 175.10 174.64 3g6j s SER 153 N -0.23 0.37 -0.17 3.32 1.04 -0.95 -4.95 113.70 112.12 3g6j s SER 153 Ca 0.14 -1.17 0.01 0.00 0.48 0.00 0.00 55.95 55.40 3g6j s SER 153 Cb -0.12 0.27 0.03 0.00 0.10 0.00 0.00 66.02 66.30 3g6j s SER 153 CO 0.03 -0.70 -0.14 0.26 0.98 0.00 0.00 173.24 173.67 3g6j s TRP 154 N -4.01 2.32 -1.27 5.02 0.52 -1.26 0.13 118.94 120.38 3g6j s TRP 154 Ca 0.21 -1.38 -0.00 0.00 0.02 0.00 0.00 56.10 54.95 3g6j s TRP 154 Cb 0.08 -1.65 0.00 0.00 -1.15 0.00 0.00 33.47 30.74 3g6j s TRP 154 CO -0.00 -0.71 0.82 0.09 0.02 0.00 0.00 176.95 177.17 3g6j n ASN 155 N 4.73 -1.59 -2.83 2.95 4.13 -0.43 -2.04 115.26 120.17 3g6j n ASN 155 Ca -0.17 -0.74 -0.21 0.00 1.68 0.00 0.00 54.58 55.15 3g6j n ASN 155 Cb 0.49 -4.48 0.01 0.00 -1.54 0.00 0.00 39.78 34.26 3g6j n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3g6j n SER 156 N -3.08 -5.32 0.00 6.41 7.64 -1.26 -1.83 113.62 116.17 3g6j n SER 156 Ca -0.29 -0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.43 3g6j n SER 156 Cb 0.67 -4.38 0.00 0.00 -1.01 0.00 0.00 64.21 59.50 3g6j n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g6j n GLY 157 N -1.23 0.54 0.08 0.23 0.00 -0.87 -4.93 105.19 99.02 3g6j n GLY 157 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 3g6j n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6j h ALA 158 N 0.00 0.09 -1.88 4.61 0.00 -1.24 -3.38 119.26 117.46 3g6j h ALA 158 Ca 0.00 -0.22 -0.61 0.00 0.00 0.00 0.00 54.91 54.08 3g6j h ALA 158 Cb 0.05 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.70 3g6j h ALA 158 CO 0.00 -0.19 0.51 -1.17 0.00 0.00 0.00 179.25 178.40 3g6j s LEU 159 N -9.39 4.15 0.00 0.00 2.96 -1.13 -4.82 118.68 110.44 3g6j s LEU 159 Ca -0.15 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 3g6j s LEU 159 Cb 0.04 -2.90 -0.02 0.00 0.50 0.00 0.00 46.19 43.80 3g6j s LEU 159 CO 0.70 -1.13 0.10 0.35 -1.32 0.00 0.00 176.35 175.05 3g6j n THR 160 N 6.20 0.00 -2.65 3.68 -2.24 -1.26 -4.33 114.28 113.68 3g6j n THR 160 Ca 0.02 -0.45 -0.43 0.00 -2.27 0.00 0.00 64.05 60.92 3g6j n THR 160 Cb 0.48 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.69 3g6j n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3g6j s SER 161 N -1.16 6.99 -0.88 3.42 0.15 -1.26 -3.77 113.70 117.19 3g6j s SER 161 Ca 0.01 1.16 -0.03 0.00 0.70 0.00 0.00 55.95 57.79 3g6j s SER 161 Cb 0.02 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 3g6j s SER 161 CO 0.08 -0.80 0.36 0.61 1.20 0.00 0.00 173.24 174.69 3g6j n GLY 162 N 3.68 0.00 3.87 9.45 0.00 -1.26 -4.72 105.19 116.20 3g6j n GLY 162 Ca 0.12 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 3g6j n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g6j s VAL 163 N -2.90 5.00 -0.33 1.61 1.01 -1.25 -2.88 120.40 120.66 3g6j s VAL 163 Ca 0.18 0.51 -0.01 0.00 0.00 0.00 0.00 61.98 62.66 3g6j s VAL 163 Cb -0.08 -3.66 0.11 0.00 0.00 0.00 0.00 36.38 32.75 3g6j s VAL 163 CO 0.22 0.16 0.15 -1.00 0.00 0.00 0.00 175.10 174.64 3g6j s HIS 164 N -1.54 0.99 -0.54 5.22 3.76 0.19 -4.99 115.29 118.37 3g6j s HIS 164 Ca 0.39 -1.48 -0.23 0.00 -0.15 0.00 0.00 55.06 53.59 3g6j s HIS 164 Cb -0.13 -1.24 0.05 0.00 1.11 0.00 0.00 32.58 32.36 3g6j s HIS 164 CO 0.20 -0.84 0.87 0.99 -0.85 0.00 0.00 174.74 175.11 3g6j s THR 165 N 1.51 4.50 0.72 1.30 2.01 -1.26 -1.31 115.64 123.11 3g6j s THR 165 Ca 0.12 0.07 -0.11 0.00 0.31 0.00 0.00 61.69 62.08 3g6j s THR 165 Cb -0.19 -4.49 0.02 0.00 0.01 0.00 0.00 72.50 67.85 3g6j s THR 165 CO -0.20 -1.05 1.08 -0.36 -0.69 0.00 0.00 174.62 173.39 3g6j s PHE 166 N 3.64 2.85 0.50 4.92 0.40 -0.10 -4.98 117.98 125.21 3g6j s PHE 166 Ca 0.26 1.49 -0.22 0.00 -0.60 0.00 0.00 56.93 57.86 3g6j s PHE 166 Cb -0.14 -2.98 -0.07 0.00 0.51 0.00 0.00 43.02 40.34 3g6j s PHE 166 CO 0.17 -1.48 1.17 -2.30 0.70 0.00 0.00 175.22 173.48 3g6j n PRO 167 N -3.16 1.50 -0.96 0.24 -0.02 -1.26 -4.60 135.00 126.74 3g6j n PRO 167 Ca 0.08 0.55 -0.31 0.00 -2.02 0.00 0.00 63.50 61.80 3g6j n PRO 167 Cb 0.53 -2.32 0.14 0.00 -0.02 0.00 0.00 33.50 31.82 3g6j n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g6j s ALA 168 N -1.32 1.74 -0.03 3.55 0.00 -1.26 -4.73 121.76 119.71 3g6j s ALA 168 Ca 0.68 0.39 0.00 0.00 0.00 0.00 0.00 51.96 53.04 3g6j s ALA 168 Cb -0.47 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.33 3g6j s ALA 168 CO 0.53 -2.36 0.01 0.14 0.00 0.00 0.00 175.76 174.08 3g6j s VAL 169 N -2.77 0.12 -0.45 0.00 -7.23 -0.86 -4.97 120.40 104.25 3g6j s VAL 169 Ca 0.64 0.13 -0.29 0.00 -1.81 0.00 0.00 61.98 60.65 3g6j s VAL 169 Cb -0.20 -0.23 0.01 0.00 0.56 0.00 0.00 36.38 36.52 3g6j s VAL 169 CO 0.57 0.14 1.35 -0.22 -0.31 0.00 0.00 175.10 176.63 3g6j s LEU 170 N 1.09 3.56 0.76 1.32 0.20 -1.26 -2.37 118.68 121.98 3g6j s LEU 170 Ca -0.09 0.66 -0.11 0.00 0.69 0.00 0.00 54.13 55.28 3g6j s LEU 170 Cb -0.13 -3.47 0.05 0.00 -0.43 0.00 0.00 46.19 42.21 3g6j s LEU 170 CO -0.02 -1.44 1.09 -1.10 -0.29 0.00 0.00 176.35 174.59 3g6j s GLN 171 N 4.94 2.31 0.62 1.98 -0.21 -0.31 -4.92 119.66 124.06 3g6j s GLN 171 Ca 0.57 1.18 0.37 0.00 0.02 0.00 0.00 55.36 57.50 3g6j s GLN 171 Cb -0.12 -1.90 2.05 0.00 1.00 0.00 0.00 33.01 34.04 3g6j s GLN 171 CO 0.31 -1.60 2.28 0.66 -2.12 0.00 0.00 175.29 174.82 3g6j h SER 172 N -1.03 0.00 0.63 5.90 4.64 -1.94 -1.14 113.55 120.60 3g6j h SER 172 Ca -0.44 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.85 3g6j h SER 172 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 3g6j h SER 172 CO 0.52 0.01 -0.18 0.77 -0.87 0.00 0.00 176.83 177.08 3g6j h SER 173 N 0.00 0.00 0.00 4.97 4.64 -2.01 -3.46 113.55 117.68 3g6j h SER 173 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g6j h SER 173 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3g6j h SER 173 CO 0.00 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 3g6j n GLY 174 N -0.28 0.89 3.95 -0.77 0.00 -0.43 -5.09 105.19 103.46 3g6j n GLY 174 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 3g6j n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g6j s LEU 175 N 0.00 4.23 0.20 0.99 1.02 -1.26 -4.81 118.68 119.05 3g6j s LEU 175 Ca 0.00 0.25 -0.05 0.00 0.02 0.00 0.00 54.13 54.35 3g6j s LEU 175 Cb 0.00 -3.05 -0.06 0.00 0.02 0.00 0.00 46.19 43.11 3g6j s LEU 175 CO 0.00 -0.10 0.45 -0.31 0.02 0.00 0.00 176.35 176.41 3g6j s TYR 176 N -2.00 3.47 -0.07 0.29 2.02 0.18 -1.16 117.35 120.07 3g6j s TYR 176 Ca 0.37 0.60 -0.08 0.00 -0.37 0.00 0.00 57.07 57.59 3g6j s TYR 176 Cb -0.10 -2.05 0.02 0.00 -0.40 0.00 0.00 41.96 39.43 3g6j s TYR 176 CO 0.31 0.34 0.22 -1.54 -1.57 0.00 0.00 175.55 173.30 3g6j s SER 177 N -2.68 -0.21 0.09 2.29 1.04 -1.00 -1.83 113.70 111.40 3g6j s SER 177 Ca 0.42 0.38 -0.01 0.00 0.48 0.00 0.00 55.95 57.23 3g6j s SER 177 Cb -0.11 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 3g6j s SER 177 CO 0.26 -0.12 0.01 -1.48 0.98 0.00 0.00 173.24 172.89 3g6j s LEU 178 N -0.06 2.18 0.01 2.42 0.05 -0.60 -2.02 118.68 120.66 3g6j s LEU 178 Ca -0.02 -1.09 0.06 0.00 0.05 0.00 0.00 54.13 53.13 3g6j s LEU 178 Cb -0.02 0.23 -0.03 0.00 -2.05 0.00 0.00 46.19 44.32 3g6j s LEU 178 CO 0.01 -0.65 -0.17 -0.44 -0.55 0.00 0.00 176.35 174.54 3g6j s SER 179 N -2.98 3.84 -0.19 1.48 0.01 -1.26 -1.21 113.70 113.39 3g6j s SER 179 Ca 0.15 -0.35 -0.01 0.00 1.31 0.00 0.00 55.95 57.05 3g6j s SER 179 Cb 0.08 -0.68 0.01 0.00 0.21 0.00 0.00 66.02 65.63 3g6j s SER 179 CO -0.05 0.29 -0.14 -0.55 0.41 0.00 0.00 173.24 173.20 3g6j s SER 180 N -1.15 3.61 0.08 2.44 0.15 -0.36 -0.93 113.70 117.53 3g6j s SER 180 Ca 0.13 -0.53 0.09 0.00 0.70 0.00 0.00 55.95 56.34 3g6j s SER 180 Cb -0.11 -1.58 -0.03 0.00 -1.71 0.00 0.00 66.02 62.59 3g6j s SER 180 CO 0.03 0.01 -0.25 0.54 1.20 0.00 0.00 173.24 174.77 3g6j s VAL 181 N 1.27 2.04 -0.05 4.45 0.11 -0.42 -0.08 120.40 127.72 3g6j s VAL 181 Ca 0.04 -1.48 -0.02 0.00 -2.93 0.00 0.00 61.98 57.59 3g6j s VAL 181 Cb -0.14 -1.78 0.04 0.00 -1.53 0.00 0.00 36.38 32.97 3g6j s VAL 181 CO -0.08 0.21 0.09 0.54 -3.33 0.00 0.00 175.10 172.54 3g6j s VAL 182 N -0.92 -0.13 -0.14 2.04 0.11 0.29 0.52 120.40 122.18 3g6j s VAL 182 Ca 0.11 0.32 -0.21 0.00 -2.93 0.00 0.00 61.98 59.27 3g6j s VAL 182 Cb -0.10 -0.19 -0.03 0.00 -1.53 0.00 0.00 36.38 34.54 3g6j s VAL 182 CO 0.03 0.14 0.64 0.42 -3.33 0.00 0.00 175.10 172.99 3g6j s THR 183 N 1.80 5.05 0.09 5.04 -4.23 -1.14 -2.14 115.64 120.11 3g6j s THR 183 Ca -0.01 1.25 0.04 0.00 -1.18 0.00 0.00 61.69 61.79 3g6j s THR 183 Cb -0.12 -3.96 -0.03 0.00 1.34 0.00 0.00 72.50 69.72 3g6j s THR 183 CO -0.04 0.19 -0.11 0.68 -0.54 0.00 0.00 174.62 174.79 3g6j s VAL 184 N 1.36 0.98 0.07 2.29 -7.23 -0.72 -4.82 120.40 112.33 3g6j s VAL 184 Ca 0.31 -1.49 -0.31 0.00 -1.81 0.00 0.00 61.98 58.69 3g6j s VAL 184 Cb -0.16 -1.21 -0.09 0.00 0.56 0.00 0.00 36.38 35.48 3g6j s VAL 184 CO 0.13 -0.43 1.82 -2.16 -0.31 0.00 0.00 175.10 174.14 3g6j s PRO 185 N -2.34 4.15 0.55 4.82 0.04 -1.26 -0.56 135.00 140.40 3g6j s PRO 185 Ca 0.02 2.51 0.32 0.00 0.04 0.00 0.00 61.00 63.88 3g6j s PRO 185 Cb -0.06 -3.80 1.48 0.00 0.04 0.00 0.00 34.50 32.15 3g6j s PRO 185 CO 0.01 -0.85 1.86 0.66 0.04 0.00 0.00 177.00 178.72 3g6j h SER 186 N 9.23 0.00 0.05 6.66 4.64 -1.75 0.52 113.55 132.90 3g6j h SER 186 Ca -0.46 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 3g6j h SER 186 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3g6j h SER 186 CO 0.94 0.00 -0.05 0.77 -0.87 0.00 0.00 176.83 177.62 3g6j h SER 187 N 0.00 0.00 0.72 4.97 4.64 -1.89 -2.86 113.55 119.13 3g6j h SER 187 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3g6j h SER 187 Cb 1.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.80 3g6j h SER 187 CO -0.00 0.05 0.00 -1.54 -0.87 0.00 0.00 176.83 174.47 3g6j n SER 188 N -4.47 0.26 -4.77 4.97 3.41 0.18 -4.73 113.62 108.48 3g6j n SER 188 Ca -0.03 0.55 -0.35 0.00 -0.26 0.00 0.00 58.87 58.79 3g6j n SER 188 Cb 0.13 -0.61 0.02 0.00 -0.26 0.00 0.00 64.21 63.49 3g6j n SER 188 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3g6j s LEU 189 N -3.55 3.66 0.00 1.04 1.02 -1.08 -1.58 118.68 118.18 3g6j s LEU 189 Ca 0.08 2.20 0.00 0.00 0.02 0.00 0.00 54.13 56.43 3g6j s LEU 189 Cb 0.11 -4.58 0.00 0.00 0.02 0.00 0.00 46.19 41.74 3g6j s LEU 189 CO 0.37 -1.41 0.00 0.61 0.02 0.00 0.00 176.35 175.94 3g6j n GLY 190 N 0.13 2.19 0.06 -3.19 0.00 -1.26 -4.64 105.19 98.48 3g6j n GLY 190 Ca 0.12 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 3g6j n GLY 190 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3g6j h THR 191 N 0.00 0.09 -3.97 2.61 1.35 -1.85 -3.47 112.91 107.68 3g6j h THR 191 Ca 0.00 -1.08 -0.49 0.00 -0.55 0.00 0.00 66.41 64.28 3g6j h THR 191 Cb 0.00 0.19 0.04 0.00 -1.73 0.00 0.00 68.15 66.65 3g6j h THR 191 CO 0.00 0.03 0.45 -1.58 -0.25 0.00 0.00 175.52 174.17 3g6j s GLN 192 N -1.87 4.02 -0.04 4.72 2.00 -0.61 -5.05 119.66 122.83 3g6j s GLN 192 Ca -0.07 1.66 -0.06 0.00 -2.00 0.00 0.00 55.36 54.89 3g6j s GLN 192 Cb 0.01 -2.53 -0.04 0.00 0.80 0.00 0.00 33.01 31.24 3g6j s GLN 192 CO 0.13 -0.30 0.21 0.99 -0.50 0.00 0.00 175.29 175.81 3g6j s THR 193 N -1.57 5.40 -0.31 -0.34 2.01 -1.26 -4.80 115.64 114.76 3g6j s THR 193 Ca 0.59 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.70 3g6j s THR 193 Cb -0.26 -3.51 0.10 0.00 0.01 0.00 0.00 72.50 68.84 3g6j s THR 193 CO 0.32 0.44 0.08 -0.31 -0.69 0.00 0.00 174.62 174.46 3g6j s TYR 194 N -1.21 2.11 -0.11 4.92 2.02 -1.26 -4.97 117.35 118.83 3g6j s TYR 194 Ca 0.23 -1.96 0.00 0.00 -0.37 0.00 0.00 57.07 54.98 3g6j s TYR 194 Cb -0.13 -1.93 -0.02 0.00 -0.40 0.00 0.00 41.96 39.49 3g6j s TYR 194 CO 0.13 -0.88 -0.12 0.96 -1.57 0.00 0.00 175.55 174.07 3g6j s ILE 195 N 1.48 3.19 -0.15 2.71 -4.36 -1.26 -1.20 121.20 121.60 3g6j s ILE 195 Ca 0.09 -0.63 -0.08 0.00 -0.26 0.00 0.00 60.65 59.78 3g6j s ILE 195 Cb -0.18 -2.33 -0.04 0.00 1.25 0.00 0.00 42.46 41.16 3g6j s ILE 195 CO -0.21 0.54 0.12 0.00 0.24 0.00 0.00 174.94 175.63 3g6j s ASN 197 N -0.35 5.68 0.33 0.00 0.02 0.34 -2.09 114.94 118.88 3g6j s ASN 197 Ca 0.11 -3.46 -0.26 0.00 -1.02 0.00 0.00 52.86 48.23 3g6j s ASN 197 Cb -0.12 -1.88 -0.10 0.00 0.02 0.00 0.00 41.25 39.18 3g6j s ASN 197 CO 0.01 -0.24 0.96 -0.69 0.02 0.00 0.00 177.10 177.17 3g6j s VAL 198 N -0.95 4.12 -0.14 1.60 1.01 -0.78 -2.25 120.40 123.01 3g6j s VAL 198 Ca 0.24 1.74 -0.06 0.00 0.00 0.00 0.00 61.98 63.90 3g6j s VAL 198 Cb -0.11 -3.96 0.06 0.00 0.00 0.00 0.00 36.38 32.37 3g6j s VAL 198 CO -0.10 0.13 0.31 0.21 0.00 0.00 0.00 175.10 175.65 3g6j s ASN 199 N -1.59 -0.08 -0.39 3.32 3.84 -1.04 -2.52 114.94 116.49 3g6j s ASN 199 Ca 0.51 0.68 0.03 0.00 0.21 0.00 0.00 52.86 54.29 3g6j s ASN 199 Cb -0.19 0.71 0.11 0.00 -0.55 0.00 0.00 41.25 41.33 3g6j s ASN 199 CO 0.25 -0.21 0.14 -2.28 -2.79 0.00 0.00 177.10 172.21 3g6j s HIS 200 N 1.91 2.85 0.13 0.43 5.65 -0.11 -2.15 115.29 123.99 3g6j s HIS 200 Ca -0.04 -2.65 -0.28 0.00 0.25 0.00 0.00 55.06 52.34 3g6j s HIS 200 Cb -0.11 -2.44 -0.04 0.00 -1.18 0.00 0.00 32.58 28.81 3g6j s HIS 200 CO -0.10 -0.86 1.59 0.87 -0.65 0.00 0.00 174.74 175.59 3g6j h LYS 201 N 7.32 -0.44 -0.46 2.88 6.56 -1.82 -2.80 116.57 127.81 3g6j h LYS 201 Ca -0.07 0.03 0.13 0.00 -1.06 0.00 0.00 60.65 59.69 3g6j h LYS 201 Cb 0.97 0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 32.72 3g6j h LYS 201 CO 0.54 -0.29 0.62 -1.35 -2.06 0.00 0.00 179.45 176.91 3g6j h PRO 202 N -0.46 0.00 0.00 3.15 0.11 -1.93 -1.62 132.00 131.25 3g6j h PRO 202 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3g6j h PRO 202 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 3g6j h PRO 202 CO -0.38 0.00 -0.09 -1.13 -0.21 0.00 0.00 178.00 176.19 3g6j n SER 203 N -3.42 1.61 -0.40 -2.05 3.41 -1.17 -4.93 113.62 106.66 3g6j n SER 203 Ca 0.09 -2.39 -0.05 0.00 -0.26 0.00 0.00 58.87 56.26 3g6j n SER 203 Cb 0.80 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.50 3g6j n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3g6j n ASN 204 N -0.79 -5.49 -4.64 4.04 5.03 -0.61 -4.89 115.26 107.91 3g6j n ASN 204 Ca 0.07 0.13 -0.43 0.00 0.87 0.00 0.00 54.58 55.22 3g6j n ASN 204 Cb 0.53 -3.63 -0.02 0.00 -1.02 0.00 0.00 39.78 35.63 3g6j n ASN 204 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3g6j s THR 205 N -1.38 4.39 -0.08 3.41 2.01 -1.06 -4.95 115.64 117.98 3g6j s THR 205 Ca 0.00 1.62 0.04 0.00 0.31 0.00 0.00 61.69 63.66 3g6j s THR 205 Cb 0.00 -4.27 -0.00 0.00 0.01 0.00 0.00 72.50 68.24 3g6j s THR 205 CO 0.00 -0.39 -0.22 -0.75 -0.69 0.00 0.00 174.62 172.56 3g6j s LYS 206 N 3.72 2.64 -0.01 4.92 2.20 -1.26 -0.94 119.74 131.01 3g6j s LYS 206 Ca 0.50 -0.80 -0.00 0.00 -0.36 0.00 0.00 55.97 55.30 3g6j s LYS 206 Cb -0.15 -2.08 0.01 0.00 -1.51 0.00 0.00 37.83 34.10 3g6j s LYS 206 CO 0.16 0.22 0.02 0.08 -0.36 0.00 0.00 175.35 175.47 3g6j s VAL 207 N 0.23 -0.02 -0.30 4.02 1.01 -1.05 -5.05 120.40 119.24 3g6j s VAL 207 Ca -0.13 0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.96 3g6j s VAL 207 Cb -0.16 -0.05 0.07 0.00 0.00 0.00 0.00 36.38 36.24 3g6j s VAL 207 CO 0.06 0.04 -0.03 -1.81 0.00 0.00 0.00 175.10 173.36 3g6j s ASP 208 N 0.44 4.64 -0.17 3.32 1.11 -1.26 -1.87 116.67 122.89 3g6j s ASP 208 Ca -0.04 -1.65 -0.06 0.00 0.18 0.00 0.00 52.55 50.99 3g6j s ASP 208 Cb -0.05 -1.61 -0.04 0.00 1.07 0.00 0.00 42.92 42.30 3g6j s ASP 208 CO -0.01 -0.27 0.02 -0.75 1.18 0.00 0.00 175.17 175.34 3g6j s LYS 209 N 1.06 3.80 0.15 8.23 2.47 -0.89 -4.93 119.74 129.63 3g6j s LYS 209 Ca -0.02 -0.40 -0.23 0.00 -1.56 0.00 0.00 55.97 53.76 3g6j s LYS 209 Cb -0.20 -3.08 -0.08 0.00 -1.46 0.00 0.00 37.83 33.01 3g6j s LYS 209 CO -0.05 0.30 0.72 0.21 0.16 0.00 0.00 175.35 176.69 3g6j s LYS 210 N 0.25 4.43 -0.14 4.03 2.20 -1.26 -0.63 119.74 128.62 3g6j s LYS 210 Ca 0.01 1.01 0.02 0.00 -0.36 0.00 0.00 55.97 56.65 3g6j s LYS 210 Cb -0.13 -3.20 0.02 0.00 -1.51 0.00 0.00 37.83 33.01 3g6j s LYS 210 CO 0.01 0.56 -0.18 0.08 -0.36 0.00 0.00 175.35 175.46 3g6j s VAL 211 N -1.19 1.82 0.22 4.02 1.01 -0.34 -4.81 120.40 121.13 3g6j s VAL 211 Ca 0.35 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 3g6j s VAL 211 Cb -0.21 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 3g6j s VAL 211 CO 0.24 0.50 0.34 -1.83 0.00 0.00 0.00 175.10 174.35 3g6j s GLU 212 N 1.11 1.37 1.26 2.72 -1.05 -1.26 -4.56 118.70 118.27 3g6j s GLU 212 Ca -0.02 -1.34 -0.21 0.00 -0.15 0.00 0.00 54.97 53.26 3g6j s GLU 212 Cb -0.14 0.39 0.32 0.00 -0.44 0.00 0.00 34.13 34.26 3g6j s GLU 212 CO -0.06 -0.53 0.96 -2.30 0.95 0.00 0.00 175.26 174.29 3g6j n PRO 213 N -0.31 -3.67 -3.33 -4.83 -0.02 -1.26 -4.50 135.00 117.06 3g6j n PRO 213 Ca -0.02 -1.57 -0.19 0.00 -2.02 0.00 0.00 63.50 59.70 3g6j n PRO 213 Cb 0.63 -1.65 -0.01 0.00 -0.02 0.00 0.00 33.50 32.45 3g6j n PRO 213 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3g6j s LYS 214 N -5.23 2.67 -0.24 -0.52 1.02 -1.26 -5.02 119.74 111.15 3g6j s LYS 214 Ca 0.66 -1.40 -0.11 0.00 0.02 0.00 0.00 55.97 55.13 3g6j s LYS 214 Cb -0.08 -2.54 -0.11 0.00 -0.52 0.00 0.00 37.83 34.58 3g6j s LYS 214 CO 0.52 -0.22 -0.31 0.43 -0.92 0.00 0.00 175.35 174.86 3g6j n SER 215 N -1.67 1.73 0.00 2.83 7.64 -1.26 -5.15 113.62 117.74 3g6j n SER 215 Ca 0.05 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.20 3g6j n SER 215 Cb 0.61 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 3g6j n SER 215 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03