#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj n LYS 13 N 0.00 0.00 -0.02 -0.52 4.76 -1.26 -4.03 118.16 117.08 2wrj n LYS 13 Ca 0.00 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wrj n LYS 13 Cb 0.00 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2wrj n LYS 13 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wrj n GLY 14 N 0.00 0.61 3.92 0.72 0.00 -1.26 -4.71 105.19 104.47 2wrj n GLY 14 Ca 0.00 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2wrj n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wrj s VAL 15 N 1.94 1.91 -0.30 1.61 -7.23 -1.26 -4.24 120.40 112.84 2wrj s VAL 15 Ca 0.00 -1.39 -0.03 0.00 -1.81 0.00 0.00 61.98 58.76 2wrj s VAL 15 Cb 0.00 -2.30 0.19 0.00 0.56 0.00 0.00 36.38 34.83 2wrj s VAL 15 CO 0.00 0.00 0.71 -0.44 -0.31 0.00 0.00 175.10 175.06 2wrj s SER 16 N -4.31 -1.20 -0.90 4.85 0.01 -0.13 -4.90 113.70 107.12 2wrj s SER 16 Ca 0.41 0.57 -0.13 0.00 1.31 0.00 0.00 55.95 58.11 2wrj s SER 16 Cb -0.03 1.93 0.24 0.00 0.21 0.00 0.00 66.02 68.37 2wrj s SER 16 CO 0.25 -0.22 0.86 -0.69 0.41 0.00 0.00 173.24 173.85 2wrj s VAL 17 N 2.88 5.71 0.00 3.43 1.01 -1.26 -0.41 120.40 131.75 2wrj s VAL 17 Ca 0.15 -2.73 0.00 0.00 0.00 0.00 0.00 61.98 59.39 2wrj s VAL 17 Cb -0.12 -4.50 0.00 0.00 0.00 0.00 0.00 36.38 31.76 2wrj s VAL 17 CO -0.20 -1.07 0.00 -0.62 0.00 0.00 0.00 175.10 173.21 2wrj n GLU 18 N 3.62 -0.13 -2.64 2.72 -0.58 -0.13 -4.37 120.64 119.13 2wrj n GLU 18 Ca 0.17 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.84 2wrj n GLU 18 Cb 0.45 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.31 2wrj n GLU 18 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2wrj n VAL 19 N -1.66 0.00 -3.66 2.62 0.31 -1.26 -4.48 118.33 110.20 2wrj n VAL 19 Ca 0.00 -0.79 0.00 0.00 -0.01 0.00 0.00 64.34 63.54 2wrj n VAL 19 Cb 0.00 0.49 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 2wrj n VAL 19 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wrj n ALA 20 N -1.97 0.00 -1.00 3.52 0.00 -1.18 -4.45 120.51 115.43 2wrj n ALA 20 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2wrj n ALA 20 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 2wrj n ALA 20 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wrj n PRO 21 N 0.00 0.00 0.00 0.00 -0.02 -1.26 -4.53 135.00 129.19 2wrj n PRO 21 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.50 2wrj n PRO 21 Cb 0.00 -0.92 -0.02 0.00 -0.02 0.00 0.00 33.50 32.54 2wrj n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wrj n GLY 22 N -0.35 0.48 3.87 -1.23 0.00 -1.26 -4.88 105.19 101.82 2wrj n GLY 22 Ca 0.00 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 2wrj n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wrj s ARG 23 N -1.40 3.63 -0.34 1.61 0.52 -1.26 0.12 118.95 121.82 2wrj s ARG 23 Ca 0.02 0.71 0.04 0.00 -0.52 0.00 0.00 55.73 55.98 2wrj s ARG 23 Cb 0.04 -2.12 0.16 0.00 0.52 0.00 0.00 34.95 33.55 2wrj s ARG 23 CO 0.19 -0.50 0.44 0.08 0.02 0.00 0.00 175.30 175.53 2wrj s VAL 24 N -3.07 -0.59 0.52 3.52 1.01 -1.11 -3.09 120.40 117.58 2wrj s VAL 24 Ca 0.55 -0.50 -0.21 0.00 0.00 0.00 0.00 61.98 61.81 2wrj s VAL 24 Cb -0.11 -0.70 -0.06 0.00 0.00 0.00 0.00 36.38 35.52 2wrj s VAL 24 CO 0.51 -0.34 1.21 -0.54 0.00 0.00 0.00 175.10 175.94 2wrj s LYS 25 N 2.01 3.41 -0.19 2.72 1.02 -1.26 -2.80 119.74 124.65 2wrj s LYS 25 Ca 0.13 1.88 -0.05 0.00 0.02 0.00 0.00 55.97 57.95 2wrj s LYS 25 Cb -0.12 -2.23 0.06 0.00 -0.52 0.00 0.00 37.83 35.02 2wrj s LYS 25 CO -0.16 -0.86 0.09 0.08 -0.92 0.00 0.00 175.35 173.57 2wrj s VAL 26 N -1.52 0.00 -0.17 3.17 1.01 -0.82 -0.96 120.40 121.11 2wrj s VAL 26 Ca 0.69 -0.29 -0.15 0.00 0.00 0.00 0.00 61.98 62.23 2wrj s VAL 26 Cb -0.31 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2wrj s VAL 26 CO 0.37 -0.33 0.34 -0.54 0.00 0.00 0.00 175.10 174.94 2wrj s LYS 27 N 2.09 4.23 0.00 2.72 1.02 0.45 -1.79 119.74 128.46 2wrj s LYS 27 Ca 0.02 0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.17 2wrj s LYS 27 Cb -0.16 -3.47 0.00 0.00 -0.52 0.00 0.00 37.83 33.68 2wrj s LYS 27 CO -0.12 0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.84 2wrj n GLY 28 N 3.62 3.76 0.07 -3.33 0.00 -1.18 -0.95 105.19 107.18 2wrj n GLY 28 Ca -0.10 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 2wrj n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wrj h PRO 29 N 0.00 -0.03 -0.16 1.61 0.11 -1.68 -3.36 132.00 128.48 2wrj h PRO 29 Ca 0.00 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.92 2wrj h PRO 29 Cb 0.00 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.12 2wrj h PRO 29 CO 0.00 0.43 -0.68 0.87 -0.21 0.00 0.00 178.00 178.41 2wrj h LYS 30 N -0.52 0.66 0.00 1.05 1.79 -1.60 -3.49 116.57 114.46 2wrj h LYS 30 Ca -0.00 -0.49 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 2wrj h LYS 30 Cb 0.48 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2wrj h LYS 30 CO 0.01 1.11 0.00 0.41 -1.08 0.00 0.00 179.45 179.90 2wrj n GLY 31 N 0.52 -1.34 3.59 3.86 0.00 -1.26 -5.05 105.19 105.50 2wrj n GLY 31 Ca -0.05 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 2wrj n GLY 31 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wrj s GLU 32 N -0.98 2.16 -0.05 1.61 2.12 -1.26 -3.09 118.70 119.21 2wrj s GLU 32 Ca 0.00 -1.01 0.04 0.00 0.36 0.00 0.00 54.97 54.36 2wrj s GLU 32 Cb 0.00 -2.32 -0.00 0.00 0.26 0.00 0.00 34.13 32.07 2wrj s GLU 32 CO 0.00 0.51 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.56 2wrj s LEU 33 N -2.21 1.88 -0.77 2.70 1.43 -0.74 -4.96 118.68 116.01 2wrj s LEU 33 Ca 0.22 -0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 52.82 2wrj s LEU 33 Cb -0.11 -0.95 0.19 0.00 0.03 0.00 0.00 46.19 45.34 2wrj s LEU 33 CO 0.14 0.13 0.74 -1.61 0.23 0.00 0.00 176.35 175.98 2wrj s GLU 34 N 0.14 3.45 -0.77 1.70 0.41 -1.26 -1.94 118.70 120.43 2wrj s GLU 34 Ca -0.06 -2.20 -0.23 0.00 -0.41 0.00 0.00 54.97 52.07 2wrj s GLU 34 Cb -0.12 -4.43 0.06 0.00 -1.78 0.00 0.00 34.13 27.86 2wrj s GLU 34 CO 0.03 -1.35 1.15 0.08 -0.49 0.00 0.00 175.26 174.67 2wrj s VAL 35 N 0.79 4.14 -0.32 2.63 1.01 -1.12 -4.88 120.40 122.65 2wrj s VAL 35 Ca 0.16 -0.34 -0.28 0.00 0.00 0.00 0.00 61.98 61.51 2wrj s VAL 35 Cb -0.14 -4.82 -0.02 0.00 0.00 0.00 0.00 36.38 31.40 2wrj s VAL 35 CO -0.06 -1.65 1.82 -2.16 0.00 0.00 0.00 175.10 173.05 2wrj s PRO 36 N 4.51 3.33 0.31 2.72 0.04 -1.26 -2.74 135.00 141.91 2wrj s PRO 36 Ca 0.31 1.47 0.11 0.00 0.04 0.00 0.00 61.00 62.92 2wrj s PRO 36 Cb -0.10 -4.20 -0.06 0.00 0.04 0.00 0.00 34.50 30.18 2wrj s PRO 36 CO 0.06 -1.86 -0.12 0.08 0.04 0.00 0.00 177.00 175.21 2wrj s VAL 37 N 6.93 2.50 0.23 -0.36 1.01 0.32 -4.99 120.40 126.05 2wrj s VAL 37 Ca 0.81 -2.23 -0.12 0.00 0.00 0.00 0.00 61.98 60.43 2wrj s VAL 37 Cb -0.23 -2.54 -0.08 0.00 0.00 0.00 0.00 36.38 33.54 2wrj s VAL 37 CO 0.34 -0.30 0.60 -0.55 0.00 0.00 0.00 175.10 175.19 2wrj s SER 38 N -3.59 6.72 0.00 3.32 0.15 -1.26 -4.48 113.70 114.56 2wrj s SER 38 Ca 0.32 1.06 0.00 0.00 0.70 0.00 0.00 55.95 58.02 2wrj s SER 38 Cb -0.02 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 2wrj s SER 38 CO 0.17 -0.06 0.13 -2.65 1.20 0.00 0.00 173.24 172.03 2wrj n PRO 39 N 0.04 0.23 -2.45 5.44 -0.02 -1.26 -4.24 135.00 132.75 2wrj n PRO 39 Ca -0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.07 2wrj n PRO 39 Cb 0.52 -1.15 0.02 0.00 -0.02 0.00 0.00 33.50 32.86 2wrj n PRO 39 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2wrj n GLU 40 N 0.45 5.06 0.00 -0.52 -0.58 -1.26 -4.64 120.64 119.16 2wrj n GLU 40 Ca 0.00 -4.32 0.00 0.00 -0.42 0.00 0.00 57.16 52.42 2wrj n GLU 40 Cb 0.07 -2.48 0.00 0.00 -0.57 0.00 0.00 31.44 28.46 2wrj n GLU 40 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 2wrj n MET 41 N 0.26 0.00 -0.93 3.49 0.00 -1.26 -4.44 117.12 114.24 2wrj n MET 41 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 58.20 2wrj n MET 41 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.48 2wrj n MET 41 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 2wrj n ARG 42 N 0.00 0.00 -3.13 2.12 0.63 -1.26 -4.84 116.66 110.18 2wrj n ARG 42 Ca 0.00 0.14 -0.31 0.00 -0.92 0.00 0.00 57.85 56.76 2wrj n ARG 42 Cb 0.00 -0.93 -0.04 0.00 0.45 0.00 0.00 32.46 31.94 2wrj n ARG 42 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2wrj s VAL 43 N -2.62 4.83 0.38 5.15 -7.23 -1.26 -5.00 120.40 114.65 2wrj s VAL 43 Ca 0.00 0.59 0.04 0.00 -1.81 0.00 0.00 61.98 60.80 2wrj s VAL 43 Cb 0.00 -3.67 -0.03 0.00 0.56 0.00 0.00 36.38 33.24 2wrj s VAL 43 CO 0.00 -0.30 0.13 -0.69 -0.31 0.00 0.00 175.10 173.93 2wrj s VAL 44 N -2.10 0.59 0.00 1.32 1.01 -1.26 -4.91 120.40 115.05 2wrj s VAL 44 Ca 0.50 -2.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.42 2wrj s VAL 44 Cb -0.11 -2.43 -0.25 0.00 0.00 0.00 0.00 36.38 33.59 2wrj s VAL 44 CO 0.25 0.00 3.45 0.52 0.00 0.00 0.00 175.10 179.32 2wrj n VAL 45 N -0.82 2.83 -1.28 2.92 0.31 -1.26 -4.01 118.33 117.02 2wrj n VAL 45 Ca -0.04 -1.41 -0.13 0.00 -0.01 0.00 0.00 64.34 62.75 2wrj n VAL 45 Cb 0.65 -1.97 -0.13 0.00 -0.91 0.00 0.00 33.84 31.48 2wrj n VAL 45 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2wrj n GLU 46 N 2.51 0.00 0.00 5.55 0.28 -1.26 -4.50 120.64 123.23 2wrj n GLU 46 Ca 0.40 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.40 2wrj n GLU 46 Cb 0.87 -0.99 0.00 0.00 1.43 0.00 0.00 31.44 32.74 2wrj n GLU 46 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2wrj n GLU 47 N 5.05 0.00 0.00 3.44 1.02 -1.26 -4.45 120.64 124.44 2wrj n GLU 47 Ca 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 2wrj n GLU 47 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.71 2wrj n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wrj n GLY 48 N 0.00 -1.26 1.03 0.62 0.00 -1.26 -4.90 105.19 99.42 2wrj n GLY 48 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2wrj n GLY 48 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wrj n VAL 49 N 0.00 0.00 -4.20 1.61 0.24 -1.26 -4.40 118.33 110.32 2wrj n VAL 49 Ca 0.00 -0.23 -0.27 0.00 -2.04 0.00 0.00 64.34 61.80 2wrj n VAL 49 Cb 0.00 -1.60 -0.08 0.00 -1.47 0.00 0.00 33.84 30.69 2wrj n VAL 49 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2wrj s VAL 50 N -1.72 3.69 0.30 3.34 1.01 -1.26 -4.09 120.40 121.66 2wrj s VAL 50 Ca 0.20 -1.37 0.08 0.00 0.00 0.00 0.00 61.98 60.89 2wrj s VAL 50 Cb -0.01 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 2wrj s VAL 50 CO 0.15 -0.06 0.13 -0.13 0.00 0.00 0.00 175.10 175.18 2wrj s ARG 51 N -2.80 2.53 -0.45 2.72 0.52 -1.26 -4.97 118.95 115.24 2wrj s ARG 51 Ca 0.27 -1.36 0.05 0.00 -0.52 0.00 0.00 55.73 54.17 2wrj s ARG 51 Cb -0.10 -2.31 0.18 0.00 0.52 0.00 0.00 34.95 33.24 2wrj s ARG 51 CO 0.18 0.25 0.49 0.08 0.02 0.00 0.00 175.30 176.32 2wrj s VAL 52 N -2.31 -0.22 0.00 3.52 1.01 -1.26 -4.49 120.40 116.65 2wrj s VAL 52 Ca 0.35 -1.90 0.00 0.00 0.00 0.00 0.00 61.98 60.43 2wrj s VAL 52 Cb -0.05 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.59 2wrj s VAL 52 CO 0.23 -0.73 0.00 1.21 0.00 0.00 0.00 175.10 175.81 2wrj n GLU 53 N 2.99 0.28 -3.64 2.72 0.00 -1.26 -4.83 120.64 116.91 2wrj n GLU 53 Ca 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.30 2wrj n GLU 53 Cb 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.88 2wrj n GLU 53 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 2wrj s ARG 54 N -2.23 0.64 0.00 5.31 1.04 -1.26 -4.62 118.95 117.83 2wrj s ARG 54 Ca 0.00 0.82 0.00 0.00 -1.04 0.00 0.00 55.73 55.51 2wrj s ARG 54 Cb 0.00 0.28 0.00 0.00 -2.04 0.00 0.00 34.95 33.19 2wrj s ARG 54 CO 0.00 -0.09 0.00 -0.35 -0.04 0.00 0.00 175.30 174.82 2wrj n PRO 55 N 2.74 0.00 -0.42 3.89 -0.04 -1.26 -4.88 135.00 135.04 2wrj n PRO 55 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2wrj n PRO 55 Cb 0.56 -0.39 0.00 0.00 -0.04 0.00 0.00 33.50 33.63 2wrj n PRO 55 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2wrj n SER 56 N 0.00 0.31 -0.60 3.54 3.41 -1.26 -5.05 113.62 113.97 2wrj n SER 56 Ca 0.00 -0.36 0.06 0.00 -0.26 0.00 0.00 58.87 58.31 2wrj n SER 56 Cb 0.00 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.16 2wrj n SER 56 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2wrj n ASP 57 N -0.97 1.71 -4.61 4.04 8.00 -1.26 -4.49 116.55 118.97 2wrj n ASP 57 Ca 0.00 -3.89 -0.29 0.00 0.71 0.00 0.00 54.79 51.32 2wrj n ASP 57 Cb 0.00 -0.53 0.19 0.00 -0.02 0.00 0.00 41.12 40.76 2wrj n ASP 57 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2wrj s GLU 58 N -3.22 0.10 0.09 -1.24 2.02 -1.26 -4.67 118.70 110.52 2wrj s GLU 58 Ca 0.38 0.48 -0.23 0.00 0.02 0.00 0.00 54.97 55.62 2wrj s GLU 58 Cb 0.37 -1.70 -0.15 0.00 0.10 0.00 0.00 34.13 32.75 2wrj s GLU 58 CO -0.07 -2.95 1.73 -0.09 0.02 0.00 0.00 175.26 173.91 2wrj h ARG 59 N -2.05 -0.01 -0.57 1.61 2.43 -1.99 -0.96 114.38 112.84 2wrj h ARG 59 Ca -0.55 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 58.71 2wrj h ARG 59 Cb 1.33 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.78 2wrj h ARG 59 CO 0.56 -0.00 -0.38 0.00 -1.51 0.00 0.00 179.97 178.64 2wrj h ARG 60 N -0.02 -0.19 0.67 0.20 3.08 -1.99 -0.55 114.38 115.58 2wrj h ARG 60 Ca -0.00 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 2wrj h ARG 60 Cb 0.02 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.12 2wrj h ARG 60 CO 0.00 -0.13 -0.32 0.45 -1.07 0.00 0.00 179.97 178.90 2wrj h HIS 61 N -0.20 -0.84 -0.99 3.04 3.86 -1.82 -0.50 115.15 117.70 2wrj h HIS 61 Ca 0.21 -0.02 0.26 0.00 -1.16 0.00 0.00 60.37 59.66 2wrj h HIS 61 Cb 0.56 0.28 -0.18 0.00 1.06 0.00 0.00 27.41 29.12 2wrj h HIS 61 CO -0.66 -0.52 -0.01 0.87 0.86 0.00 0.00 177.93 178.46 2wrj h LYS 62 N -0.92 0.01 0.82 2.45 1.57 -0.87 0.06 116.57 119.69 2wrj h LYS 62 Ca -0.09 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 2wrj h LYS 62 Cb 0.69 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.01 2wrj h LYS 62 CO 0.15 0.00 -0.39 0.77 -0.57 0.00 0.00 179.45 179.41 2wrj h SER 63 N 0.01 -0.93 -0.95 0.86 0.02 -0.88 -3.09 113.55 108.58 2wrj h SER 63 Ca 0.58 0.03 0.17 0.00 -0.84 0.00 0.00 61.79 61.73 2wrj h SER 63 Cb 1.16 0.24 -0.08 0.00 0.14 0.00 0.00 62.40 63.86 2wrj h SER 63 CO -0.94 -0.62 0.60 -0.07 -1.14 0.00 0.00 176.83 174.67 2wrj h LEU 64 N -1.20 0.71-10.04 5.07 3.38 -0.30 -3.28 115.31 109.64 2wrj h LEU 64 Ca -0.11 0.06 -0.51 0.00 0.09 0.00 0.00 57.88 57.41 2wrj h LEU 64 Cb 0.85 -0.07 0.08 0.00 0.09 0.00 0.00 40.66 41.60 2wrj h LEU 64 CO 0.19 0.31 0.48 -2.28 0.09 0.00 0.00 178.44 177.23 2wrj s HIS 65 N -5.74 2.72 0.00 1.13 2.46 -0.06 -2.36 115.29 113.43 2wrj s HIS 65 Ca -0.10 1.52 0.00 0.00 0.47 0.00 0.00 55.06 56.95 2wrj s HIS 65 Cb 0.23 -3.41 0.00 0.00 -0.13 0.00 0.00 32.58 29.27 2wrj s HIS 65 CO 0.80 -1.73 0.00 0.41 -2.47 0.00 0.00 174.74 171.75 2wrj n GLY 66 N 0.41 2.06 0.31 1.59 0.00 -1.26 -4.56 105.19 103.73 2wrj n GLY 66 Ca 0.09 -0.30 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 2wrj n GLY 66 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wrj h LEU 67 N 0.00 -0.93 0.55 0.99 5.85 -1.58 0.97 115.31 121.16 2wrj h LEU 67 Ca 0.00 0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 2wrj h LEU 67 Cb 0.00 0.50 0.01 0.00 0.37 0.00 0.00 40.66 41.53 2wrj h LEU 67 CO 0.00 -0.27 -0.26 0.74 -0.34 0.00 0.00 178.44 178.30 2wrj h THR 68 N -0.11 0.40 0.00 1.05 2.02 -1.71 -1.56 112.91 112.99 2wrj h THR 68 Ca 0.25 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.19 2wrj h THR 68 Cb 0.52 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 2wrj h THR 68 CO -0.65 0.04 0.58 -1.14 0.37 0.00 0.00 175.52 174.72 2wrj n ARG 69 N -5.35 0.01 -0.00 6.66 0.63 0.02 -0.50 116.66 118.13 2wrj n ARG 69 Ca -0.12 0.23 -0.01 0.00 -0.92 0.00 0.00 57.85 57.03 2wrj n ARG 69 Cb 0.33 -2.11 -0.01 0.00 0.45 0.00 0.00 32.46 31.12 2wrj n ARG 69 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 2wrj n THR 70 N -1.36 0.06 0.29 5.15 -1.04 0.12 -3.87 114.28 113.63 2wrj n THR 70 Ca -0.00 -0.03 0.13 0.00 -2.04 0.00 0.00 64.05 62.11 2wrj n THR 70 Cb 0.58 -0.78 0.84 0.00 -1.82 0.00 0.00 70.33 69.16 2wrj n THR 70 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2wrj h LEU 71 N 0.00 0.00 0.00 -4.42 4.07 0.22 -1.37 115.31 113.81 2wrj h LEU 71 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2wrj h LEU 71 Cb 1.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.78 2wrj h LEU 71 CO -0.00 0.02 0.00 -0.38 -1.08 0.00 0.00 178.44 177.00 2wrj n ILE 72 N -3.96 0.00 -0.48 1.22 2.08 -0.28 -1.01 119.36 116.93 2wrj n ILE 72 Ca -0.03 0.97 0.40 0.00 0.56 0.00 0.00 62.75 64.65 2wrj n ILE 72 Cb 0.10 -1.92 0.66 0.00 -0.75 0.00 0.00 39.64 37.73 2wrj n ILE 72 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wrj n ALA 73 N -1.82 1.35 0.09 -1.39 0.00 -1.07 0.27 120.51 117.94 2wrj n ALA 73 Ca 0.00 0.79 -0.12 0.00 0.00 0.00 0.00 53.44 54.10 2wrj n ALA 73 Cb 0.00 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.33 2wrj n ALA 73 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2wrj h ASN 74 N 0.00 0.30 0.51 0.00 2.35 -1.27 -2.62 115.58 114.85 2wrj h ASN 74 Ca 0.83 -0.30 -0.07 0.00 -0.55 0.00 0.00 56.30 56.21 2wrj h ASN 74 Cb 2.79 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 41.05 2wrj h ASN 74 CO -0.38 1.21 -0.36 0.00 -1.65 0.00 0.00 177.43 176.26 2wrj h ALA 75 N 0.75 1.24 -2.16 -0.83 0.00 0.56 -0.19 119.26 118.62 2wrj h ALA 75 Ca -0.09 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2wrj h ALA 75 Cb 1.83 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2wrj h ALA 75 CO 0.17 0.45 0.00 0.28 0.00 0.00 0.00 179.25 180.15 2wrj n VAL 76 N -3.86 0.00 0.00 0.00 0.31 -0.12 -3.57 118.33 111.09 2wrj n VAL 76 Ca -0.01 0.48 0.00 0.00 -0.01 0.00 0.00 64.34 64.79 2wrj n VAL 76 Cb 0.42 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 2wrj n VAL 76 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2wrj n LYS 77 N -0.92 0.00 0.23 5.55 5.02 -0.99 -0.23 118.16 126.81 2wrj n LYS 77 Ca 0.00 0.20 0.13 0.00 -2.02 0.00 0.00 58.31 56.62 2wrj n LYS 77 Cb 0.00 -1.55 0.29 0.00 -0.02 0.00 0.00 35.03 33.75 2wrj n LYS 77 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2wrj h GLY 78 N 0.00 0.00 0.00 0.72 0.00 -1.07 -3.04 103.07 99.68 2wrj h GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wrj h GLY 78 CO 0.00 0.00 -0.95 3.33 0.00 0.00 0.00 176.54 178.92 2wrj n VAL 79 N -3.05 0.00 -1.97 4.60 0.24 0.67 -4.19 118.33 114.63 2wrj n VAL 79 Ca 0.03 -0.17 -0.40 0.00 -2.04 0.00 0.00 64.34 61.77 2wrj n VAL 79 Cb 0.48 0.83 0.04 0.00 -1.47 0.00 0.00 33.84 33.71 2wrj n VAL 79 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2wrj n SER 80 N -1.51 7.50 -2.82 -1.34 3.41 -1.15 -1.45 113.62 116.24 2wrj n SER 80 Ca 0.02 -3.81 -0.01 0.00 -0.26 0.00 0.00 58.87 54.82 2wrj n SER 80 Cb 0.28 -1.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 2wrj n SER 80 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wrj n GLU 81 N -0.45 -2.84 -1.67 4.33 1.02 -1.25 -4.94 120.64 114.84 2wrj n GLU 81 Ca 0.53 2.38 0.01 0.00 -0.02 0.00 0.00 57.16 60.06 2wrj n GLU 81 Cb 0.24 -4.51 0.06 0.00 -0.02 0.00 0.00 31.44 27.21 2wrj n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wrj n GLY 82 N 0.79 2.42 0.00 0.62 0.00 -1.20 -4.93 105.19 102.89 2wrj n GLY 82 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.89 2wrj n GLY 82 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wrj n TYR 83 N -0.15 0.00 -1.43 1.61 4.02 -0.97 -4.81 117.16 115.42 2wrj n TYR 83 Ca 0.12 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 58.03 2wrj n TYR 83 Cb 0.97 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 40.29 2wrj n TYR 83 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2wrj n SER 84 N 0.00 -0.99 -1.26 7.72 2.88 -1.20 -4.66 113.62 116.11 2wrj n SER 84 Ca 0.00 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2wrj n SER 84 Cb 0.00 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 2wrj n SER 84 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2wrj n LYS 85 N -1.05 -3.54 -4.08 -1.46 0.00 -1.26 -3.94 118.16 102.83 2wrj n LYS 85 Ca 0.00 2.56 -0.07 0.00 0.00 0.00 0.00 58.31 60.80 2wrj n LYS 85 Cb 0.06 -2.82 -0.10 0.00 0.00 0.00 0.00 35.03 32.16 2wrj n LYS 85 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2wrj s GLU 86 N -2.86 0.59 -0.18 1.64 1.03 -1.26 -1.08 118.70 116.57 2wrj s GLU 86 Ca 0.00 -1.17 -0.00 0.00 0.03 0.00 0.00 54.97 53.83 2wrj s GLU 86 Cb 0.00 0.19 0.01 0.00 -0.80 0.00 0.00 34.13 33.53 2wrj s GLU 86 CO 0.00 -0.10 -0.15 -0.51 -1.33 0.00 0.00 175.26 173.16 2wrj s LEU 87 N -2.79 2.38 -0.04 1.83 1.43 0.37 -4.66 118.68 117.20 2wrj s LEU 87 Ca 0.05 -0.55 -0.26 0.00 -1.03 0.00 0.00 54.13 52.34 2wrj s LEU 87 Cb 0.06 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 2wrj s LEU 87 CO -0.09 0.02 0.81 -0.76 0.23 0.00 0.00 176.35 176.56 2wrj s LEU 88 N 1.19 4.33 -0.27 1.79 2.01 -1.16 -2.08 118.68 124.50 2wrj s LEU 88 Ca 0.02 1.37 -0.01 0.00 0.01 0.00 0.00 54.13 55.52 2wrj s LEU 88 Cb -0.14 -3.27 0.04 0.00 0.01 0.00 0.00 46.19 42.83 2wrj s LEU 88 CO -0.07 -0.18 -0.06 0.27 1.01 0.00 0.00 176.35 177.32 2wrj s ILE 89 N 0.92 2.72 0.64 -0.59 -5.25 0.37 -1.51 121.20 118.50 2wrj s ILE 89 Ca 0.43 -1.29 0.02 0.00 -0.99 0.00 0.00 60.65 58.82 2wrj s ILE 89 Cb -0.19 -2.48 0.09 0.00 2.95 0.00 0.00 42.46 42.83 2wrj s ILE 89 CO 0.22 0.05 0.89 -0.54 -1.79 0.00 0.00 174.94 173.77 2wrj s LYS 90 N 1.25 2.05 0.00 0.37 -0.14 -0.99 -4.78 119.74 117.49 2wrj s LYS 90 Ca -0.04 -1.12 0.00 0.00 -1.36 0.00 0.00 55.97 53.46 2wrj s LYS 90 Cb -0.18 -2.44 0.00 0.00 -1.68 0.00 0.00 37.83 33.53 2wrj s LYS 90 CO -0.04 -1.12 0.00 0.41 -0.76 0.00 0.00 175.35 173.85 2wrj n GLY 91 N -2.57 0.42 0.00 -3.33 0.00 -1.26 -3.17 105.19 95.28 2wrj n GLY 91 Ca 0.13 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.95 2wrj n GLY 91 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wrj n ILE 92 N 0.00 0.00 -0.02 -0.61 5.41 -1.26 -4.81 119.36 118.07 2wrj n ILE 92 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.75 2wrj n ILE 92 Cb 0.00 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2wrj n ILE 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wrj n GLY 93 N 4.90 0.64 3.51 7.39 0.00 -1.26 -4.69 105.19 115.68 2wrj n GLY 93 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2wrj n GLY 93 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wrj s TYR 94 N 2.10 2.80 0.00 1.61 1.51 -1.26 -4.39 117.35 119.73 2wrj s TYR 94 Ca 0.00 -0.14 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 2wrj s TYR 94 Cb 0.00 -1.68 0.00 0.00 -0.11 0.00 0.00 41.96 40.17 2wrj s TYR 94 CO 0.00 0.20 0.00 2.89 -1.11 0.00 0.00 175.55 177.53 2wrj n ARG 95 N 2.41 0.00 -4.18 -0.62 1.85 -1.01 -4.86 116.66 110.25 2wrj n ARG 95 Ca -0.18 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.37 2wrj n ARG 95 Cb 0.52 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.85 2wrj n ARG 95 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wrj s ALA 96 N -2.00 3.19 -0.37 2.89 0.00 -0.87 -1.53 121.76 123.07 2wrj s ALA 96 Ca 0.00 -1.14 0.13 0.00 0.00 0.00 0.00 51.96 50.96 2wrj s ALA 96 Cb 0.00 -1.12 0.42 0.00 0.00 0.00 0.00 23.12 22.42 2wrj s ALA 96 CO 0.00 0.68 0.92 -2.13 0.00 0.00 0.00 175.76 175.23 2wrj n ARG 97 N 0.71 1.63 0.00 0.00 0.63 0.15 -4.83 116.66 114.95 2wrj n ARG 97 Ca -0.12 -3.61 0.00 0.00 -0.92 0.00 0.00 57.85 53.20 2wrj n ARG 97 Cb 0.52 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 31.84 2wrj n ARG 97 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2wrj n LEU 98 N -0.06 0.00 -4.31 6.15 7.94 -1.26 -4.48 117.00 120.98 2wrj n LEU 98 Ca 0.19 0.00 -0.46 0.00 -1.11 0.00 0.00 56.01 54.63 2wrj n LEU 98 Cb 0.72 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.64 2wrj n LEU 98 CO 0.27 0.00 0.34 -0.69 -1.11 0.00 0.00 177.39 176.20 2wrj s VAL 99 N 0.00 5.36 0.00 1.96 1.01 0.48 -4.92 120.40 124.30 2wrj s VAL 99 Ca 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 61.98 59.65 2wrj s VAL 99 Cb 0.00 -4.35 0.00 0.00 0.00 0.00 0.00 36.38 32.03 2wrj s VAL 99 CO 0.00 -0.98 0.00 0.61 0.00 0.00 0.00 175.10 174.73 2wrj n GLY 100 N 4.18 0.10 0.16 4.51 0.00 -1.26 -3.08 105.19 109.80 2wrj n GLY 100 Ca 0.08 -1.18 0.15 0.00 0.00 0.00 0.00 46.02 45.08 2wrj n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrj n ARG 101 N 4.87 1.17 -3.85 1.61 1.74 -1.26 -4.82 116.66 116.12 2wrj n ARG 101 Ca 0.00 -0.32 -0.29 0.00 -0.77 0.00 0.00 57.85 56.47 2wrj n ARG 101 Cb 0.00 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 29.91 2wrj n ARG 101 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wrj s ALA 102 N -2.05 3.93 -0.19 7.54 0.00 -1.18 -4.46 121.76 125.35 2wrj s ALA 102 Ca 0.43 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 2wrj s ALA 102 Cb 0.21 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 2wrj s ALA 102 CO 0.37 0.63 -0.03 -1.17 0.00 0.00 0.00 175.76 175.55 2wrj s LEU 103 N -2.94 3.10 -0.12 0.00 2.96 -1.11 -0.38 118.68 120.18 2wrj s LEU 103 Ca 0.36 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 2wrj s LEU 103 Cb -0.12 -1.77 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 2wrj s LEU 103 CO 0.28 0.08 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.60 2wrj s GLU 104 N 0.92 3.30 -0.01 1.98 -6.30 -1.26 -0.93 118.70 116.40 2wrj s GLU 104 Ca -0.00 -0.60 0.00 0.00 -2.50 0.00 0.00 54.97 51.87 2wrj s GLU 104 Cb -0.15 -2.70 0.00 0.00 0.00 0.00 0.00 34.13 31.29 2wrj s GLU 104 CO 0.01 0.34 -0.01 -0.48 0.02 0.00 0.00 175.26 175.14 2wrj s LEU 105 N 0.05 1.86 -0.22 2.70 2.34 -0.43 0.31 118.68 125.30 2wrj s LEU 105 Ca -0.03 -0.03 -0.04 0.00 0.06 0.00 0.00 54.13 54.10 2wrj s LEU 105 Cb -0.14 -0.10 -0.01 0.00 -0.56 0.00 0.00 46.19 45.38 2wrj s LEU 105 CO 0.04 -0.00 -0.03 0.42 -1.06 0.00 0.00 176.35 175.72 2wrj s THR 106 N 0.14 3.52 -0.41 5.48 -4.23 -0.58 -0.23 115.64 119.34 2wrj s THR 106 Ca -0.01 -0.44 0.09 0.00 -1.18 0.00 0.00 61.69 60.14 2wrj s THR 106 Cb -0.03 -2.60 0.31 0.00 1.34 0.00 0.00 72.50 71.52 2wrj s THR 106 CO -0.00 0.42 0.81 1.33 -0.54 0.00 0.00 174.62 176.64 2wrj n VAL 107 N 4.72 -0.20 0.00 2.29 0.24 -1.26 -2.41 118.33 121.70 2wrj n VAL 107 Ca -0.18 -3.29 0.00 0.00 -2.04 0.00 0.00 64.34 58.83 2wrj n VAL 107 Cb 0.51 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 2wrj n VAL 107 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wrj n GLY 108 N 0.67 2.10 3.37 7.63 0.00 -1.26 -5.02 105.19 112.69 2wrj n GLY 108 Ca 0.17 -0.55 -0.52 0.00 0.00 0.00 0.00 46.02 45.12 2wrj n GLY 108 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wrj n PHE 109 N 0.00 0.05 -0.45 1.61 3.72 -1.26 -4.69 117.46 116.44 2wrj n PHE 109 Ca 0.00 0.99 -0.05 0.00 -0.05 0.00 0.00 57.45 58.34 2wrj n PHE 109 Cb 0.00 -1.98 -0.08 0.00 -0.94 0.00 0.00 39.48 36.49 2wrj n PHE 109 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2wrj n SER 110 N 1.72 2.42 0.00 4.37 3.41 -1.26 -4.36 113.62 119.92 2wrj n SER 110 Ca 0.19 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 2wrj n SER 110 Cb 0.16 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 2wrj n SER 110 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2wrj n HIS 111 N 2.73 0.00 -0.72 7.33 -0.00 -1.26 -5.16 115.22 118.14 2wrj n HIS 111 Ca 0.19 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.59 2wrj n HIS 111 Cb 0.42 0.00 0.15 0.00 -0.00 0.00 0.00 29.99 30.56 2wrj n HIS 111 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2wrj n PRO 112 N 0.00 -0.65 -4.36 1.57 -0.04 -1.26 -4.91 135.00 125.35 2wrj n PRO 112 Ca 0.00 -0.15 -0.35 0.00 -0.04 0.00 0.00 63.50 62.97 2wrj n PRO 112 Cb 0.00 -2.00 -0.10 0.00 -0.04 0.00 0.00 33.50 31.36 2wrj n PRO 112 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2wrj s VAL 113 N -2.44 4.31 -0.17 0.52 1.01 0.69 -4.95 120.40 119.37 2wrj s VAL 113 Ca 0.60 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.35 2wrj s VAL 113 Cb -0.21 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.36 2wrj s VAL 113 CO 0.65 0.59 -0.17 0.68 0.00 0.00 0.00 175.10 176.85 2wrj s VAL 114 N -0.77 2.42 -0.39 2.92 -7.23 -1.26 -1.31 120.40 114.77 2wrj s VAL 114 Ca 0.12 -0.84 0.01 0.00 -1.81 0.00 0.00 61.98 59.46 2wrj s VAL 114 Cb -0.12 -2.02 0.13 0.00 0.56 0.00 0.00 36.38 34.93 2wrj s VAL 114 CO 0.02 0.52 0.19 -0.69 -0.31 0.00 0.00 175.10 174.83 2wrj s VAL 115 N 1.05 1.05 0.16 1.32 1.01 -0.11 -5.01 120.40 119.87 2wrj s VAL 115 Ca -0.01 -2.08 -0.30 0.00 0.00 0.00 0.00 61.98 59.58 2wrj s VAL 115 Cb -0.14 -1.75 -0.08 0.00 0.00 0.00 0.00 36.38 34.40 2wrj s VAL 115 CO -0.05 -0.85 1.32 -0.70 0.00 0.00 0.00 175.10 174.82 2wrj s GLU 116 N 0.84 4.38 0.32 2.72 -6.30 -1.26 -2.74 118.70 116.64 2wrj s GLU 116 Ca 0.15 2.03 -0.27 0.00 -2.50 0.00 0.00 54.97 54.39 2wrj s GLU 116 Cb -0.22 -3.22 -0.10 0.00 0.00 0.00 0.00 34.13 30.59 2wrj s GLU 116 CO -0.07 -0.30 0.97 -1.25 0.02 0.00 0.00 175.26 174.63 2wrj s PRO 117 N 0.30 4.58 0.63 4.30 0.04 -1.26 -4.99 135.00 138.60 2wrj s PRO 117 Ca 0.59 1.41 -0.13 0.00 0.04 0.00 0.00 61.00 62.91 2wrj s PRO 117 Cb -0.36 -2.87 -0.02 0.00 0.04 0.00 0.00 34.50 31.29 2wrj s PRO 117 CO 0.35 0.26 1.05 -1.25 0.04 0.00 0.00 177.00 177.45 2wrj s PRO 118 N -1.92 3.24 -0.27 0.56 0.04 -1.26 -4.90 135.00 130.49 2wrj s PRO 118 Ca 0.49 1.02 -0.36 0.00 0.04 0.00 0.00 61.00 62.19 2wrj s PRO 118 Cb -0.21 -2.03 -0.13 0.00 0.04 0.00 0.00 34.50 32.17 2wrj s PRO 118 CO 0.27 -0.86 2.00 -1.91 0.04 0.00 0.00 177.00 176.53 2wrj n GLU 119 N -2.56 1.37 0.00 4.56 2.13 -1.26 -1.88 120.64 123.00 2wrj n GLU 119 Ca 0.08 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.35 2wrj n GLU 119 Cb 0.53 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 29.83 2wrj n GLU 119 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wrj n GLY 120 N 5.39 1.43 3.00 8.31 0.00 -1.26 -5.09 105.19 116.97 2wrj n GLY 120 Ca 0.33 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.22 2wrj n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wrj s ILE 121 N -2.00 -0.01 0.03 -0.61 1.01 -0.79 -3.62 121.20 115.21 2wrj s ILE 121 Ca 0.00 0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.77 2wrj s ILE 121 Cb 0.00 -0.22 -0.02 0.00 0.01 0.00 0.00 42.46 42.22 2wrj s ILE 121 CO 0.00 0.02 -0.20 -0.89 0.00 0.00 0.00 174.94 173.87 2wrj s THR 122 N 0.41 1.60 -0.26 2.92 2.01 -0.42 -4.67 115.64 117.23 2wrj s THR 122 Ca -0.03 -1.12 -0.10 0.00 0.31 0.00 0.00 61.69 60.75 2wrj s THR 122 Cb -0.04 -1.38 -0.05 0.00 0.01 0.00 0.00 72.50 71.04 2wrj s THR 122 CO -0.02 0.22 0.15 -0.36 -0.69 0.00 0.00 174.62 173.93 2wrj s PHE 123 N -0.75 3.22 -0.22 4.92 0.08 -1.26 -1.48 117.98 122.48 2wrj s PHE 123 Ca 0.07 0.04 -0.21 0.00 0.12 0.00 0.00 56.93 56.95 2wrj s PHE 123 Cb -0.08 -2.31 -0.02 0.00 -0.57 0.00 0.00 43.02 40.04 2wrj s PHE 123 CO 0.01 -0.13 0.65 -1.21 -0.10 0.00 0.00 175.22 174.44 2wrj s GLU 124 N 1.49 4.17 -0.47 0.44 0.41 -0.04 -4.99 118.70 119.71 2wrj s GLU 124 Ca 0.07 0.62 0.07 0.00 -0.41 0.00 0.00 54.97 55.32 2wrj s GLU 124 Cb -0.15 -3.61 0.39 0.00 -1.78 0.00 0.00 34.13 28.98 2wrj s GLU 124 CO 0.07 -0.33 0.99 0.28 -0.49 0.00 0.00 175.26 175.79 2wrj n VAL 125 N 4.93 2.22 0.00 2.63 0.31 -1.26 -2.35 118.33 124.81 2wrj n VAL 125 Ca -0.00 -4.93 0.00 0.00 -0.01 0.00 0.00 64.34 59.40 2wrj n VAL 125 Cb 0.49 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 2wrj n VAL 125 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2wrj n PRO 126 N -0.27 0.00 -1.46 5.55 -0.04 -1.26 -4.73 135.00 132.79 2wrj n PRO 126 Ca 0.31 0.17 -0.30 0.00 -0.04 0.00 0.00 63.50 63.65 2wrj n PRO 126 Cb 0.58 -0.96 0.21 0.00 -0.04 0.00 0.00 33.50 33.29 2wrj n PRO 126 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2wrj s GLU 127 N -0.92 -0.27 0.20 0.54 0.41 -1.26 -4.96 118.70 112.45 2wrj s GLU 127 Ca 0.00 -0.17 0.23 0.00 -0.41 0.00 0.00 54.97 54.62 2wrj s GLU 127 Cb 0.00 -1.72 0.04 0.00 -1.78 0.00 0.00 34.13 30.67 2wrj s GLU 127 CO 0.00 -3.06 1.08 -1.00 -0.49 0.00 0.00 175.26 171.79 2wrj h PRO 128 N -2.11 0.00 0.00 0.39 0.13 -1.88 -3.34 132.00 125.19 2wrj h PRO 128 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2wrj h PRO 128 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2wrj h PRO 128 CO 0.38 0.00 -1.83 0.25 -0.23 0.00 0.00 178.00 176.57 2wrj n THR 129 N -2.63 0.00 -4.18 1.56 -2.24 -1.26 -2.04 114.28 103.49 2wrj n THR 129 Ca 0.00 -0.42 -0.31 0.00 -2.27 0.00 0.00 64.05 61.06 2wrj n THR 129 Cb 0.54 0.16 -0.08 0.00 -2.10 0.00 0.00 70.33 68.85 2wrj n THR 129 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wrj s ARG 130 N -3.42 2.55 -0.25 -0.78 0.52 -1.26 -0.48 118.95 115.84 2wrj s ARG 130 Ca -0.05 -0.81 -0.07 0.00 -0.52 0.00 0.00 55.73 54.28 2wrj s ARG 130 Cb 0.14 -2.54 0.12 0.00 0.52 0.00 0.00 34.95 33.19 2wrj s ARG 130 CO 0.90 0.55 0.51 0.08 0.02 0.00 0.00 175.30 177.36 2wrj s VAL 131 N -1.25 -0.79 0.14 3.52 1.01 -0.88 -4.06 120.40 118.09 2wrj s VAL 131 Ca 0.24 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.37 2wrj s VAL 131 Cb -0.12 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2wrj s VAL 131 CO 0.16 0.02 -0.10 0.00 0.00 0.00 0.00 175.10 175.18 2wrj s ARG 132 N 2.72 2.07 -0.06 2.72 1.70 -0.99 0.14 118.95 127.24 2wrj s ARG 132 Ca 0.01 -1.16 0.00 0.00 -0.47 0.00 0.00 55.73 54.12 2wrj s ARG 132 Cb -0.13 -2.22 -0.03 0.00 -0.57 0.00 0.00 34.95 32.00 2wrj s ARG 132 CO -0.16 0.47 -0.05 0.08 -1.08 0.00 0.00 175.30 174.56 2wrj s VAL 133 N -1.45 3.85 -0.21 4.99 1.01 -0.24 -0.86 120.40 127.49 2wrj s VAL 133 Ca 0.23 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 2wrj s VAL 133 Cb -0.10 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 2wrj s VAL 133 CO 0.14 0.58 -0.02 -0.44 0.00 0.00 0.00 175.10 175.36 2wrj s SER 134 N -0.90 4.59 0.03 3.32 0.01 -0.55 -3.22 113.70 116.98 2wrj s SER 134 Ca 0.13 -0.29 -0.18 0.00 1.31 0.00 0.00 55.95 56.92 2wrj s SER 134 Cb -0.11 -1.78 0.04 0.00 0.21 0.00 0.00 66.02 64.37 2wrj s SER 134 CO 0.02 0.03 0.41 -0.83 0.41 0.00 0.00 173.24 173.28 2wrj s GLY 135 N 1.21 -0.27 0.15 3.44 0.00 -1.26 -1.30 107.32 109.29 2wrj s GLY 135 Ca 0.03 0.36 0.24 0.00 0.00 0.00 0.00 44.72 45.35 2wrj s GLY 135 CO 0.00 0.10 1.42 -2.22 0.00 0.00 0.00 173.10 172.40 2wrj h ILE 136 N 3.11 0.00 0.00 0.90 5.03 -1.81 -2.58 117.51 122.16 2wrj h ILE 136 Ca -0.31 -0.52 0.00 0.00 -0.12 0.00 0.00 64.86 63.91 2wrj h ILE 136 Cb 1.20 1.20 0.00 0.00 -3.03 0.00 0.00 36.82 36.19 2wrj h ILE 136 CO 0.43 0.00 0.00 -0.67 -0.68 0.00 0.00 178.15 177.23 2wrj n ASP 137 N -2.19 0.00 0.00 1.72 -0.08 -1.26 -4.34 116.55 110.39 2wrj n ASP 137 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 2wrj n ASP 137 Cb 0.44 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.90 2wrj n ASP 137 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2wrj n LYS 138 N 0.00 0.00 0.29 -0.67 4.81 -1.26 -4.83 118.16 116.50 2wrj n LYS 138 Ca 0.00 0.00 0.16 0.00 -0.87 0.00 0.00 58.31 57.60 2wrj n LYS 138 Cb 0.00 0.00 0.79 0.00 0.02 0.00 0.00 35.03 35.84 2wrj n LYS 138 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 2wrj h GLN 139 N 0.00 0.00 0.06 1.64 5.75 -1.98 0.49 115.11 121.07 2wrj h GLN 139 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2wrj h GLN 139 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 2wrj h GLN 139 CO 0.00 0.00 -0.03 0.87 -2.65 0.00 0.00 178.83 177.02 2wrj h LYS 140 N 0.00 -0.08 0.54 1.69 1.57 -2.00 -3.33 116.57 114.96 2wrj h LYS 140 Ca 0.04 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2wrj h LYS 140 Cb 0.77 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.11 2wrj h LYS 140 CO -0.00 -0.05 -0.26 0.28 -0.57 0.00 0.00 179.45 178.85 2wrj h VAL 141 N -0.71 0.40 -1.54 0.50 2.07 -1.38 -1.16 116.25 114.43 2wrj h VAL 141 Ca -0.01 -0.28 0.50 0.00 0.82 0.00 0.00 66.70 67.73 2wrj h VAL 141 Cb 0.06 0.51 -0.12 0.00 -1.52 0.00 0.00 31.29 30.22 2wrj h VAL 141 CO 0.01 0.04 1.03 1.23 0.02 0.00 0.00 177.57 179.91 2wrj h GLY 142 N -0.91 0.97 0.04 2.17 0.00 -0.34 0.79 103.07 105.79 2wrj h GLY 142 Ca -0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 2wrj h GLY 142 CO 0.12 -0.33 -0.02 1.46 0.00 0.00 0.00 176.54 177.77 2wrj h GLN 143 N 0.01 -0.05 -0.74 4.80 1.08 -1.62 -3.26 115.11 115.34 2wrj h GLN 143 Ca 0.89 0.00 0.21 0.00 -1.45 0.00 0.00 58.65 58.31 2wrj h GLN 143 Cb 3.07 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 30.48 2wrj h GLN 143 CO -0.33 -0.03 0.64 0.28 -0.95 0.00 0.00 178.83 178.44 2wrj h VAL 144 N -0.22 0.41 0.41 -0.54 2.07 0.16 0.48 116.25 119.02 2wrj h VAL 144 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2wrj h VAL 144 Cb 0.04 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2wrj h VAL 144 CO 0.01 0.00 -0.21 0.00 0.02 0.00 0.00 177.57 177.39 2wrj h ALA 145 N 1.42 -1.13 0.33 1.67 0.00 0.41 -0.47 119.26 121.48 2wrj h ALA 145 Ca 0.35 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2wrj h ALA 145 Cb 1.63 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2wrj h ALA 145 CO -0.00 -1.09 -0.26 0.00 0.00 0.00 0.00 179.25 177.89 2wrj h ALA 146 N -1.69 -0.59 -0.77 0.00 0.00 -1.25 -0.74 119.26 114.21 2wrj h ALA 146 Ca -0.06 -0.10 0.28 0.00 0.00 0.00 0.00 54.91 55.03 2wrj h ALA 146 Cb 0.44 0.35 -0.14 0.00 0.00 0.00 0.00 17.79 18.44 2wrj h ALA 146 CO 0.08 -0.85 0.25 0.09 0.00 0.00 0.00 179.25 178.82 2wrj n ASN 147 N -5.39 0.12 0.02 0.00 5.03 0.16 0.21 115.26 115.42 2wrj n ASN 147 Ca -0.10 1.29 -0.12 0.00 0.87 0.00 0.00 54.58 56.53 2wrj n ASN 147 Cb 0.29 -0.56 -0.09 0.00 -1.02 0.00 0.00 39.78 38.40 2wrj n ASN 147 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 2wrj h ILE 148 N 0.00 1.11 -0.60 2.41 1.08 -0.11 -3.21 117.51 118.19 2wrj h ILE 148 Ca 0.58 -1.25 0.17 0.00 -0.39 0.00 0.00 64.86 63.97 2wrj h ILE 148 Cb 1.42 1.85 -0.02 0.00 -3.07 0.00 0.00 36.82 36.99 2wrj h ILE 148 CO -0.65 0.28 0.51 -0.09 -0.69 0.00 0.00 178.15 177.52 2wrj h ARG 149 N -0.76 0.00 -0.93 2.37 2.43 0.40 -0.86 114.38 117.03 2wrj h ARG 149 Ca -0.01 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2wrj h ARG 149 Cb 0.57 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.07 2wrj h ARG 149 CO 0.02 0.00 0.61 0.00 -1.51 0.00 0.00 179.97 179.10 2wrj h ALA 150 N 1.54 1.19 -1.00 2.80 0.00 0.21 -2.93 119.26 121.07 2wrj h ALA 150 Ca 0.28 -0.06 0.29 0.00 0.00 0.00 0.00 54.91 55.43 2wrj h ALA 150 Cb 1.30 -0.36 -0.19 0.00 0.00 0.00 0.00 17.79 18.55 2wrj h ALA 150 CO -0.00 0.54 0.08 0.82 0.00 0.00 0.00 179.25 180.69 2wrj h ILE 151 N 1.23 0.00 -2.02 0.00 1.08 -1.28 -2.99 117.51 113.54 2wrj h ILE 151 Ca 0.35 -0.00 -0.49 0.00 -0.39 0.00 0.00 64.86 64.33 2wrj h ILE 151 Cb -0.10 0.00 -0.40 0.00 -3.07 0.00 0.00 36.82 33.25 2wrj h ILE 151 CO -0.09 0.00 -1.15 -1.14 -0.69 0.00 0.00 178.15 175.08 2wrj n ARG 152 N -5.47 1.13 -1.15 2.37 3.00 -1.13 -5.09 116.66 110.31 2wrj n ARG 152 Ca 0.25 -3.48 -0.39 0.00 -0.00 0.00 0.00 57.85 54.23 2wrj n ARG 152 Cb 0.83 -1.73 -0.02 0.00 0.00 0.00 0.00 32.46 31.55 2wrj n ARG 152 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2wrj n LYS 153 N 0.29 0.00 0.00 -0.14 4.81 -1.12 -2.17 118.16 119.83 2wrj n LYS 153 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 2wrj n LYS 153 Cb 0.63 -0.85 0.00 0.00 0.02 0.00 0.00 35.03 34.83 2wrj n LYS 153 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2wrj n PRO 154 N 0.98 0.00 0.00 1.64 -0.04 -1.26 -4.62 135.00 131.70 2wrj n PRO 154 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2wrj n PRO 154 Cb 0.27 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.73 2wrj n PRO 154 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2wrj n SER 155 N 0.00 0.00 -4.07 3.54 7.64 -1.26 -4.76 113.62 114.71 2wrj n SER 155 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 2wrj n SER 155 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 2wrj n SER 155 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wrj n ALA 156 N 0.18 0.35 0.00 -0.43 0.00 -1.26 -4.03 120.51 115.32 2wrj n ALA 156 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.10 2wrj n ALA 156 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.09 2wrj n ALA 156 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wrj n TYR 157 N 8.15 0.00 0.00 0.00 4.01 -1.26 -3.46 117.16 124.60 2wrj n TYR 157 Ca 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 2wrj n TYR 157 Cb 0.43 -0.40 0.00 0.00 -0.31 0.00 0.00 39.34 39.06 2wrj n TYR 157 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01 2wrj n HIS 158 N 0.71 -0.15 0.00 -0.72 1.44 -1.26 -4.74 115.22 110.51 2wrj n HIS 158 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2wrj n HIS 158 Cb 0.00 0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.14 2wrj n HIS 158 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 2wrj n GLU 159 N -0.93 0.00 0.00 -1.40 4.07 -1.22 -4.93 120.64 116.23 2wrj n GLU 159 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2wrj n GLU 159 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2wrj n GLU 159 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2wrj n LYS 160 N 0.00 0.00 0.00 5.31 5.02 -1.26 -4.28 118.16 122.95 2wrj n LYS 160 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wrj n LYS 160 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wrj n LYS 160 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wrj n GLY 161 N 0.45 3.96 3.41 0.72 0.00 -1.19 -4.56 105.19 107.98 2wrj n GLY 161 Ca 0.00 -1.25 -0.45 0.00 0.00 0.00 0.00 46.02 44.32 2wrj n GLY 161 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wrj s ILE 162 N -2.00 5.14 0.07 -0.61 -4.36 -0.92 -2.35 121.20 116.16 2wrj s ILE 162 Ca 0.00 -2.12 -0.01 0.00 -0.26 0.00 0.00 60.65 58.26 2wrj s ILE 162 Cb 0.00 -4.68 0.02 0.00 1.25 0.00 0.00 42.46 39.04 2wrj s ILE 162 CO 0.00 -1.35 0.08 -1.22 0.24 0.00 0.00 174.94 172.70 2wrj n TYR 163 N 5.35 -3.72 0.00 1.37 4.02 -0.57 -4.69 117.16 118.92 2wrj n TYR 163 Ca 0.22 -0.07 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 2wrj n TYR 163 Cb 0.47 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.72 2wrj n TYR 163 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2wrj n TYR 164 N -2.28 0.00 -1.21 -0.72 4.02 -1.26 -3.07 117.16 112.64 2wrj n TYR 164 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2wrj n TYR 164 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 2wrj n TYR 164 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wrj n ALA 165 N -2.17 0.00 -1.00 -0.72 0.00 -1.26 -3.00 120.51 112.36 2wrj n ALA 165 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wrj n ALA 165 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wrj n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrj n GLY 166 N 0.00 -1.97 3.76 0.00 0.00 -1.26 -5.05 105.19 100.66 2wrj n GLY 166 Ca 0.00 -1.51 -0.25 0.00 0.00 0.00 0.00 46.02 44.26 2wrj n GLY 166 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wrj s GLU 167 N -2.34 2.73 -0.26 1.61 2.02 -1.26 -5.10 118.70 116.10 2wrj s GLU 167 Ca 0.00 -0.99 -0.21 0.00 0.02 0.00 0.00 54.97 53.79 2wrj s GLU 167 Cb 0.00 -2.53 -0.02 0.00 0.10 0.00 0.00 34.13 31.69 2wrj s GLU 167 CO 0.00 0.46 0.66 -1.25 0.02 0.00 0.00 175.26 175.15 2wrj s PRO 168 N -3.21 4.10 0.00 0.39 0.04 -1.26 -5.09 135.00 129.98 2wrj s PRO 168 Ca 0.30 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.94 2wrj s PRO 168 Cb -0.09 -3.66 0.00 0.00 0.04 0.00 0.00 34.50 30.79 2wrj s PRO 168 CO 0.22 -0.44 0.00 1.55 0.04 0.00 0.00 177.00 178.37 2wrj n VAL 169 N 5.22 0.00 0.00 -0.36 3.14 -1.26 -5.10 118.33 119.98 2wrj n VAL 169 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2wrj n VAL 169 Cb 0.49 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.27 2wrj n VAL 169 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2wrj n ARG 170 N 0.00 0.00 -0.24 1.45 1.74 -1.26 -4.99 116.66 113.37 2wrj n ARG 170 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wrj n ARG 170 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2wrj n ARG 170 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wrj n LEU 171 N 0.00 -0.55 -4.48 0.55 0.00 -1.26 -4.64 117.00 106.62 2wrj n LEU 171 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 56.01 55.58 2wrj n LEU 171 Cb 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 43.42 43.15 2wrj n LEU 171 CO 0.00 0.00 0.16 0.29 0.00 0.00 0.00 177.39 177.84 2wrj n LYS 172 N 2.18 0.67 0.00 1.96 4.76 -1.26 -4.84 118.16 121.63 2wrj n LYS 172 Ca 0.00 0.24 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 2wrj n LYS 172 Cb 0.00 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 31.65 2wrj n LYS 172 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2wrj n PRO 173 N 0.62 0.00 -0.38 1.97 -0.04 -1.26 -4.76 135.00 131.15 2wrj n PRO 173 Ca 0.12 0.00 0.30 0.00 -0.04 0.00 0.00 63.50 63.88 2wrj n PRO 173 Cb 0.37 0.00 0.48 0.00 -0.04 0.00 0.00 33.50 34.31 2wrj n PRO 173 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wrj n GLY 174 N 3.96 -0.58 3.82 0.55 0.00 -1.26 -4.11 105.19 107.56 2wrj n GLY 174 Ca 0.00 0.46 -0.38 0.00 0.00 0.00 0.00 46.02 46.10 2wrj n GLY 174 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wrj s LYS 175 N -4.40 4.06 0.00 1.61 2.20 -1.26 -4.18 119.74 117.77 2wrj s LYS 175 Ca -0.04 0.54 0.00 0.00 -0.36 0.00 0.00 55.97 56.11 2wrj s LYS 175 Cb 0.18 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 2wrj s LYS 175 CO 0.55 0.62 0.00 0.00 -0.36 0.00 0.00 175.35 176.16 2wrj n ALA 176 N 1.96 0.00 0.00 3.13 0.00 -1.26 -4.95 120.51 119.39 2wrj n ALA 176 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2wrj n ALA 176 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2wrj n ALA 176 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrj n GLY 177 N 0.00 1.96 0.00 0.00 0.00 -1.26 -5.21 105.19 100.68 2wrj n GLY 177 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2wrj n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32