#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rej n SER 32 N 0.00 1.93 -1.57 4.31 7.64 -1.26 -4.64 113.62 120.03 2rej n SER 32 Ca 0.00 -3.12 0.08 0.00 1.01 0.00 0.00 58.87 56.84 2rej n SER 32 Cb 0.00 -0.42 0.36 0.00 -1.01 0.00 0.00 64.21 63.13 2rej n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2rej h GLY 34 N 3.55 0.00 -6.25 0.00 0.00 -2.01 -3.44 103.07 94.92 2rej h GLY 34 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 2rej h GLY 34 CO 0.35 0.00 -0.78 -1.59 0.00 0.00 0.00 176.54 174.51 2rej s THR 35 N -3.36 0.68 0.07 4.70 2.01 -1.26 -3.22 115.64 115.27 2rej s THR 35 Ca 0.04 -0.19 0.01 0.00 0.31 0.00 0.00 61.69 61.86 2rej s THR 35 Cb 0.07 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 2rej s THR 35 CO 0.65 0.27 0.17 -0.69 -0.69 0.00 0.00 174.62 174.32 2rej s VAL 36 N 1.01 5.06 -0.09 3.82 1.01 -1.24 -5.02 120.40 124.96 2rej s VAL 36 Ca -0.09 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2rej s VAL 36 Cb -0.14 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.78 2rej s VAL 36 CO -0.00 0.12 -0.11 -0.13 0.00 0.00 0.00 175.10 174.98 2rej s ARG 37 N -2.52 1.67 0.53 2.72 0.52 -1.26 -3.36 118.95 117.25 2rej s ARG 37 Ca 0.33 -0.36 0.03 0.00 -0.52 0.00 0.00 55.73 55.20 2rej s ARG 37 Cb -0.13 -1.50 0.02 0.00 0.52 0.00 0.00 34.95 33.86 2rej s ARG 37 CO 0.26 -0.09 0.20 -0.06 0.02 0.00 0.00 175.30 175.63 2rej s PHE 38 N 1.06 1.71 -0.19 -0.53 0.08 -1.06 -2.26 117.98 116.81 2rej s PHE 38 Ca -0.07 -0.91 -0.04 0.00 0.12 0.00 0.00 56.93 56.03 2rej s PHE 38 Cb -0.15 -1.75 0.09 0.00 -0.57 0.00 0.00 43.02 40.64 2rej s PHE 38 CO -0.01 -0.13 0.25 0.45 -0.10 0.00 0.00 175.22 175.68 2rej s SER 39 N -4.09 0.95 -0.26 1.36 0.15 -1.24 -3.96 113.70 106.61 2rej s SER 39 Ca 0.19 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.89 2rej s SER 39 Cb -0.01 0.56 0.04 0.00 -1.71 0.00 0.00 66.02 64.91 2rej s SER 39 CO 0.11 -0.30 -0.07 -0.62 1.20 0.00 0.00 173.24 173.56 2rej s ASP 40 N 2.38 4.41 0.08 5.45 2.15 -1.21 -4.72 116.67 125.21 2rej s ASP 40 Ca 0.06 -1.13 -0.18 0.00 0.43 0.00 0.00 52.55 51.73 2rej s ASP 40 Cb -0.15 -1.62 -0.09 0.00 -0.30 0.00 0.00 42.92 40.76 2rej s ASP 40 CO -0.12 -0.17 1.47 0.58 -0.17 0.00 0.00 175.17 176.76 2rej h VAL 41 N 6.41 1.29 0.00 1.11 2.07 -1.89 -3.32 116.25 121.92 2rej h VAL 41 Ca -0.26 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.17 2rej h VAL 41 Cb 1.08 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2rej h VAL 41 CO 0.53 0.34 0.00 0.61 0.02 0.00 0.00 177.57 179.07 2rej n GLY 42 N -0.14 0.93 3.61 2.17 0.00 -1.26 -4.60 105.19 105.90 2rej n GLY 42 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 2rej n GLY 42 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2rej n TRP 43 N 0.00 0.54 0.66 1.61 8.01 -1.26 -4.91 117.44 122.08 2rej n TRP 43 Ca 0.00 0.38 0.13 0.00 -1.31 0.00 0.00 57.50 56.70 2rej n TRP 43 Cb 0.00 -2.04 0.44 0.00 -2.01 0.00 0.00 31.31 27.70 2rej n TRP 43 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.69 174.31 2rej n THR 44 N -2.99 0.54 -0.01 -0.99 5.66 -1.26 -3.34 114.28 111.89 2rej n THR 44 Ca 0.12 -0.18 -0.10 0.00 -3.05 0.00 0.00 64.05 60.85 2rej n THR 44 Cb 0.50 -0.64 -0.14 0.00 -1.55 0.00 0.00 70.33 68.50 2rej n THR 44 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 2rej h ASP 45 N 0.00 0.05 1.53 1.09 3.04 -1.98 -3.35 116.42 116.82 2rej h ASP 45 Ca 0.00 -0.11 -0.07 0.00 -3.24 0.00 0.00 57.03 53.60 2rej h ASP 45 Cb 0.65 -0.02 -0.01 0.00 -1.04 0.00 0.00 39.33 38.91 2rej h ASP 45 CO 0.00 1.10 -0.35 -0.29 -2.04 0.00 0.00 179.24 177.66 2rej h ILE 46 N 0.01 0.63 0.00 4.15 6.09 -1.95 -3.24 117.51 123.19 2rej h ILE 46 Ca -0.28 -1.80 0.00 0.00 -1.37 0.00 0.00 64.86 61.41 2rej h ILE 46 Cb 2.00 2.24 0.00 0.00 0.47 0.00 0.00 36.82 41.53 2rej h ILE 46 CO 0.09 0.35 0.00 0.74 -3.07 0.00 0.00 178.15 176.25 2rej h THR 47 N 0.00 0.00 0.02 2.19 2.02 -1.69 -3.24 112.91 112.21 2rej h THR 47 Ca -0.00 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 2rej h THR 47 Cb 1.21 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 2rej h THR 47 CO 0.05 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.93 2rej h ALA 48 N 2.05 -0.02 -0.24 6.16 0.00 -1.68 -3.24 119.26 122.29 2rej h ALA 48 Ca 0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 2rej h ALA 48 Cb 0.67 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2rej h ALA 48 CO 0.00 -0.06 -0.13 1.79 0.00 0.00 0.00 179.25 180.85 2rej h THR 49 N -0.92 1.21 -0.36 0.00 1.35 -1.70 -3.04 112.91 109.46 2rej h THR 49 Ca -0.00 -0.95 -0.12 0.00 -0.55 0.00 0.00 66.41 64.80 2rej h THR 49 Cb 0.78 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 2rej h THR 49 CO 0.00 0.30 -0.23 0.74 -0.25 0.00 0.00 175.52 176.09 2rej h THR 50 N 0.37 1.29 0.00 6.82 2.02 -1.71 -3.07 112.91 118.63 2rej h THR 50 Ca 0.07 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.87 2rej h THR 50 Cb 0.45 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 2rej h THR 50 CO 0.03 0.45 0.00 0.00 0.37 0.00 0.00 175.52 176.37 2rej n ALA 51 N -2.49 1.73 -0.03 6.16 0.00 -1.15 -2.26 120.51 122.46 2rej n ALA 51 Ca -0.02 -0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 2rej n ALA 51 Cb 0.44 -1.29 -0.10 0.00 0.00 0.00 0.00 19.45 18.51 2rej n ALA 51 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2rej h THR 52 N 0.00 1.46 0.00 0.00 2.02 -1.50 -3.32 112.91 111.56 2rej h THR 52 Ca 0.00 -1.72 -0.05 0.00 0.77 0.00 0.00 66.41 65.41 2rej h THR 52 Cb 0.30 2.43 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 2rej h THR 52 CO 0.00 0.48 -0.25 0.00 0.37 0.00 0.00 175.52 176.13 2rej h ALA 53 N 0.39 1.28 -0.40 6.16 0.00 -1.51 -2.96 119.26 122.21 2rej h ALA 53 Ca -0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2rej h ALA 53 Cb 0.92 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2rej h ALA 53 CO 0.05 0.31 0.12 1.15 0.00 0.00 0.00 179.25 180.88 2rej h THR 54 N 0.00 1.17 0.06 0.00 2.02 -1.62 -2.63 112.91 111.91 2rej h THR 54 Ca -0.00 -0.59 -0.24 0.00 0.77 0.00 0.00 66.41 66.35 2rej h THR 54 Cb 0.55 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 2rej h THR 54 CO 0.03 0.22 -1.11 0.71 0.37 0.00 0.00 175.52 175.74 2rej h THR 55 N 0.57 1.62 0.10 3.16 1.35 -1.65 -3.15 112.91 114.91 2rej h THR 55 Ca 0.14 -3.26 -0.00 0.00 -0.55 0.00 0.00 66.41 62.73 2rej h THR 55 Cb 0.18 2.90 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 2rej h THR 55 CO -0.01 0.94 -0.05 0.40 -0.25 0.00 0.00 175.52 176.56 2rej h ILE 56 N 0.03 0.96 -0.64 6.82 2.04 -1.57 -3.10 117.51 122.06 2rej h ILE 56 Ca -0.07 -1.38 -0.00 0.00 1.00 0.00 0.00 64.86 64.41 2rej h ILE 56 Cb 1.86 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 39.60 2rej h ILE 56 CO 0.16 0.28 0.38 -0.07 0.00 0.00 0.00 178.15 178.91 2rej h LEU 57 N -0.90 0.76 -0.73 1.44 3.38 -1.64 -2.49 115.31 115.12 2rej h LEU 57 Ca -0.01 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 2rej h LEU 57 Cb 0.55 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2rej h LEU 57 CO 0.02 0.58 -0.54 -0.08 0.09 0.00 0.00 178.44 178.52 2rej h GLU 58 N 0.88 0.00 0.00 1.13 4.81 -1.67 -2.31 114.58 117.41 2rej h GLU 58 Ca 0.23 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 2rej h GLU 58 Cb -0.04 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2rej h GLU 58 CO -0.04 0.54 -0.32 0.00 -0.73 0.00 0.00 179.01 178.46 2rej h ALA 59 N 1.46 0.85 -0.00 2.92 0.00 -1.39 -3.04 119.26 120.06 2rej h ALA 59 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2rej h ALA 59 Cb 1.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2rej h ALA 59 CO 0.07 0.39 -0.07 1.28 0.00 0.00 0.00 179.25 180.93 2rej n LEU 60 N -3.26 0.12 -0.04 0.00 4.77 -0.97 -4.84 117.00 112.78 2rej n LEU 60 Ca 0.02 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 2rej n LEU 60 Cb 0.59 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2rej n LEU 60 CO 0.37 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2rej n GLY 61 N 1.41 1.37 0.56 -0.72 0.00 -1.09 -3.13 105.19 103.58 2rej n GLY 61 Ca 0.10 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 2rej n GLY 61 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2rej n TYR 62 N -0.88 -0.81 -4.50 1.61 4.01 -0.90 -4.88 117.16 110.81 2rej n TYR 62 Ca 0.00 -0.36 -0.24 0.00 -0.16 0.00 0.00 57.90 57.15 2rej n TYR 62 Cb 0.07 -0.06 -0.11 0.00 -0.31 0.00 0.00 39.34 38.94 2rej n TYR 62 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2rej s GLU 63 N -2.31 1.75 -0.01 -0.72 2.02 -1.20 -4.56 118.70 113.67 2rej s GLU 63 Ca 0.03 -1.98 0.01 0.00 0.02 0.00 0.00 54.97 53.05 2rej s GLU 63 Cb -0.00 -1.09 0.00 0.00 0.10 0.00 0.00 34.13 33.14 2rej s GLU 63 CO 0.02 -0.15 -0.02 0.99 0.02 0.00 0.00 175.26 176.11 2rej s THR 64 N -3.12 0.19 -0.12 3.63 2.01 -1.26 -3.59 115.64 113.38 2rej s THR 64 Ca 0.36 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 62.23 2rej s THR 64 Cb 0.09 -0.18 0.05 0.00 0.01 0.00 0.00 72.50 72.47 2rej s THR 64 CO 0.16 0.06 0.26 -0.62 -0.69 0.00 0.00 174.62 173.79 2rej s ASP 65 N 0.08 -0.01 -0.07 3.53 2.15 -1.21 -5.01 116.67 116.13 2rej s ASP 65 Ca -0.00 0.56 0.04 0.00 0.43 0.00 0.00 52.55 53.57 2rej s ASP 65 Cb -0.03 0.54 0.00 0.00 -0.30 0.00 0.00 42.92 43.13 2rej s ASP 65 CO -0.00 -0.20 -0.17 -0.69 -0.17 0.00 0.00 175.17 173.94 2rej s VAL 66 N 1.75 1.49 -0.08 1.11 1.01 -1.26 -2.55 120.40 121.88 2rej s VAL 66 Ca -0.05 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.22 2rej s VAL 66 Cb -0.11 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 34.98 2rej s VAL 66 CO -0.09 0.43 -0.07 -0.54 0.00 0.00 0.00 175.10 174.84 2rej s LYS 67 N 0.33 1.24 -0.26 2.72 -0.14 -1.25 -5.05 119.74 117.33 2rej s LYS 67 Ca -0.11 -0.20 -0.29 0.00 -1.36 0.00 0.00 55.97 54.01 2rej s LYS 67 Cb -0.15 -1.24 0.01 0.00 -1.68 0.00 0.00 37.83 34.77 2rej s LYS 67 CO 0.04 -0.14 1.03 0.08 -0.76 0.00 0.00 175.35 175.60 2rej s VAL 68 N 1.25 4.64 0.12 3.17 1.01 -1.26 -3.30 120.40 126.03 2rej s VAL 68 Ca -0.05 1.88 -0.04 0.00 0.00 0.00 0.00 61.98 63.78 2rej s VAL 68 Cb -0.14 -4.33 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 2rej s VAL 68 CO -0.02 -0.27 0.11 -0.76 0.00 0.00 0.00 175.10 174.15 2rej s LEU 69 N 3.32 1.67 0.54 3.92 1.43 -1.25 -5.03 118.68 123.29 2rej s LEU 69 Ca 0.44 -1.04 -0.06 0.00 -1.03 0.00 0.00 54.13 52.43 2rej s LEU 69 Cb -0.14 0.56 -0.02 0.00 0.03 0.00 0.00 46.19 46.62 2rej s LEU 69 CO 0.09 -0.75 0.86 -0.55 0.23 0.00 0.00 176.35 176.23 2rej s SER 70 N -2.99 5.99 0.05 2.29 0.15 -1.26 -4.47 113.70 113.45 2rej s SER 70 Ca 0.18 0.89 -0.31 0.00 0.70 0.00 0.00 55.95 57.41 2rej s SER 70 Cb 0.06 -2.05 -0.18 0.00 -1.71 0.00 0.00 66.02 62.14 2rej s SER 70 CO -0.02 -0.80 1.44 0.58 1.20 0.00 0.00 173.24 175.64 2rej h VAL 71 N 0.01 0.28 0.00 4.45 2.07 -1.92 -1.19 116.25 119.95 2rej h VAL 71 Ca -0.46 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 2rej h VAL 71 Cb 1.22 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2rej h VAL 71 CO 0.61 0.02 -0.02 -0.65 0.02 0.00 0.00 177.57 177.55 2rej h PRO 72 N -1.01 0.00 0.00 1.57 0.11 -1.97 -2.22 132.00 128.48 2rej h PRO 72 Ca -0.09 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 2rej h PRO 72 Cb 0.71 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 2rej h PRO 72 CO 0.15 0.02 -0.07 0.28 -0.21 0.00 0.00 178.00 178.16 2rej h VAL 73 N 0.00 0.14 -0.44 3.15 2.07 -1.91 -3.27 116.25 115.99 2rej h VAL 73 Ca -0.00 -1.06 -0.13 0.00 0.82 0.00 0.00 66.70 66.32 2rej h VAL 73 Cb 0.37 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 2rej h VAL 73 CO 0.00 0.07 -0.25 0.74 0.02 0.00 0.00 177.57 178.15 2rej h THR 74 N 0.00 1.27 -0.23 2.57 2.02 -0.56 -3.27 112.91 114.71 2rej h THR 74 Ca -0.00 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.77 2rej h THR 74 Cb 0.94 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 2rej h THR 74 CO 0.01 0.48 0.00 -1.22 0.37 0.00 0.00 175.52 175.16 2rej n TYR 75 N -4.10 0.30 -0.05 3.16 4.01 -1.23 -3.85 117.16 115.41 2rej n TYR 75 Ca -0.00 -0.15 -0.02 0.00 -0.16 0.00 0.00 57.90 57.57 2rej n TYR 75 Cb 0.47 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.50 2rej n TYR 75 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 2rej h THR 76 N 1.45 0.00 0.00 -0.72 1.35 -1.71 -3.39 112.91 109.89 2rej h THR 76 Ca 0.00 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 2rej h THR 76 Cb 0.33 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.75 2rej h THR 76 CO 0.00 0.00 0.00 -0.24 -0.25 0.00 0.00 175.52 175.03 2rej n SER 77 N -4.16 0.00 0.02 5.36 2.88 -1.26 -3.32 113.62 113.13 2rej n SER 77 Ca -0.03 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.62 2rej n SER 77 Cb 0.10 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.53 2rej n SER 77 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2rej n LEU 78 N 0.00 0.58 -0.29 2.46 4.77 -1.25 -1.52 117.00 121.75 2rej n LEU 78 Ca 0.00 -0.08 0.11 0.00 -0.03 0.00 0.00 56.01 56.01 2rej n LEU 78 Cb 0.00 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.08 2rej n LEU 78 CO 0.00 0.06 0.29 1.17 -1.33 0.00 0.00 177.39 177.58 2rej n LYS 79 N -1.96 0.74 -0.01 3.23 4.81 -1.21 -4.51 118.16 119.26 2rej n LYS 79 Ca 0.01 -0.58 0.00 0.00 -0.87 0.00 0.00 58.31 56.88 2rej n LYS 79 Cb 0.44 -1.49 -0.12 0.00 0.02 0.00 0.00 35.03 33.89 2rej n LYS 79 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2rej n ASN 80 N -0.63 0.44 -3.94 3.14 3.02 -1.26 -4.93 115.26 111.10 2rej n ASN 80 Ca 0.08 0.19 -0.30 0.00 -0.03 0.00 0.00 54.58 54.52 2rej n ASN 80 Cb 0.40 0.79 -0.16 0.00 -0.61 0.00 0.00 39.78 40.21 2rej n ASN 80 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2rej s LYS 81 N -2.95 1.64 -0.11 3.52 1.02 -1.26 -5.02 119.74 116.58 2rej s LYS 81 Ca -0.06 -1.01 0.08 0.00 0.02 0.00 0.00 55.97 55.00 2rej s LYS 81 Cb 0.09 -2.60 -0.24 0.00 -0.52 0.00 0.00 37.83 34.56 2rej s LYS 81 CO 0.84 -0.60 0.39 -0.25 -0.92 0.00 0.00 175.35 174.81 2rej n ASP 82 N 4.66 1.15 -4.61 2.83 8.00 -0.58 -4.99 116.55 123.02 2rej n ASP 82 Ca -0.12 0.23 -0.30 0.00 0.71 0.00 0.00 54.79 55.32 2rej n ASP 82 Cb 0.44 -0.12 -0.09 0.00 -0.02 0.00 0.00 41.12 41.33 2rej n ASP 82 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2rej s ILE 83 N -2.56 1.33 -0.01 0.53 -4.36 -1.09 -5.04 121.20 110.00 2rej s ILE 83 Ca -0.13 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.20 2rej s ILE 83 Cb 0.07 -2.48 -0.02 0.00 1.25 0.00 0.00 42.46 41.28 2rej s ILE 83 CO 0.79 0.00 -0.12 0.47 0.24 0.00 0.00 174.94 176.32 2rej n ASP 84 N -1.14 1.29 -4.10 4.36 8.00 -1.12 -4.82 116.55 119.02 2rej n ASP 84 Ca -0.12 0.19 -0.23 0.00 0.71 0.00 0.00 54.79 55.34 2rej n ASP 84 Cb 0.67 -0.44 -0.16 0.00 -0.02 0.00 0.00 41.12 41.17 2rej n ASP 84 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2rej s VAL 85 N -2.28 1.17 0.05 2.53 1.01 -0.96 -4.12 120.40 117.80 2rej s VAL 85 Ca -0.10 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.35 2rej s VAL 85 Cb 0.02 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 2rej s VAL 85 CO 0.15 0.34 -0.20 0.12 0.00 0.00 0.00 175.10 175.51 2rej s PHE 86 N -0.09 1.74 0.00 5.22 5.36 -1.19 -3.70 117.98 125.32 2rej s PHE 86 Ca 0.01 -0.38 0.00 0.00 -0.96 0.00 0.00 56.93 55.60 2rej s PHE 86 Cb -0.08 -1.03 0.00 0.00 -0.34 0.00 0.00 43.02 41.57 2rej s PHE 86 CO 0.01 0.10 0.31 -0.11 -1.46 0.00 0.00 175.22 174.06 2rej n LEU 87 N 1.78 0.62 -3.60 6.12 7.94 -1.26 -3.09 117.00 125.51 2rej n LEU 87 Ca -0.17 -0.73 -0.27 0.00 -1.11 0.00 0.00 56.01 53.73 2rej n LEU 87 Cb 0.53 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.38 2rej n LEU 87 CO 0.23 0.16 -0.16 0.61 -1.11 0.00 0.00 177.39 177.12 2rej n GLY 88 N 0.21 3.24 3.16 -3.96 0.00 -1.26 -4.81 105.19 101.76 2rej n GLY 88 Ca 0.00 -2.01 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 2rej n GLY 88 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2rej s ASN 89 N -0.92 5.41 0.15 1.61 2.47 -1.24 -4.99 114.94 117.43 2rej s ASN 89 Ca 0.30 -1.92 -0.24 0.00 0.42 0.00 0.00 52.86 51.43 2rej s ASN 89 Cb 0.02 -1.89 -0.08 0.00 -1.45 0.00 0.00 41.25 37.85 2rej s ASN 89 CO -0.17 -0.58 0.73 0.26 -3.72 0.00 0.00 177.10 173.63 2rej s TRP 90 N 1.24 3.88 0.02 0.43 0.52 -1.26 -2.53 118.94 121.24 2rej s TRP 90 Ca 0.06 1.56 0.01 0.00 0.02 0.00 0.00 56.10 57.75 2rej s TRP 90 Cb -0.24 -2.71 -0.02 0.00 -1.15 0.00 0.00 33.47 29.36 2rej s TRP 90 CO -0.02 0.53 -0.05 -1.64 0.02 0.00 0.00 176.95 175.79 2rej s MET 91 N -1.16 0.36 -0.36 4.98 -1.94 -1.18 -3.66 119.30 116.34 2rej s MET 91 Ca 0.35 -0.51 0.07 0.00 -1.71 0.00 0.00 55.69 53.89 2rej s MET 91 Cb -0.22 -0.14 0.68 0.00 2.01 0.00 0.00 34.83 37.16 2rej s MET 91 CO 0.25 0.02 1.81 -0.35 -0.01 0.00 0.00 175.02 176.74 2rej n PRO 92 N 1.99 3.02 0.06 2.03 -0.04 -1.26 -3.68 135.00 137.11 2rej n PRO 92 Ca -0.20 -2.89 0.12 0.00 -0.04 0.00 0.00 63.50 60.49 2rej n PRO 92 Cb 0.56 -2.15 0.47 0.00 -0.04 0.00 0.00 33.50 32.34 2rej n PRO 92 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2rej n THR 93 N -0.51 0.51 -1.54 0.52 -2.24 -1.26 -3.84 114.28 105.93 2rej n THR 93 Ca 0.47 -0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 62.23 2rej n THR 93 Cb 1.46 -0.73 0.20 0.00 -2.10 0.00 0.00 70.33 69.16 2rej n THR 93 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2rej n MET 94 N -1.87 1.78 -0.03 -0.78 2.81 -1.24 -4.73 117.12 113.06 2rej n MET 94 Ca 0.05 -3.27 -0.02 0.00 -1.81 0.00 0.00 57.70 52.65 2rej n MET 94 Cb 0.32 -1.75 0.23 0.00 -0.71 0.00 0.00 33.22 31.30 2rej n MET 94 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2rej h GLU 95 N 1.04 0.60 0.00 0.03 4.39 -1.89 -3.16 114.58 115.58 2rej h GLU 95 Ca 0.14 -0.16 -0.12 0.00 0.34 0.00 0.00 59.36 59.56 2rej h GLU 95 Cb 1.39 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.95 2rej h GLU 95 CO 0.25 0.67 -0.55 0.00 -1.16 0.00 0.00 179.01 178.22 2rej h ALA 96 N 1.37 0.80 0.00 3.43 0.00 -1.92 -3.15 119.26 119.80 2rej h ALA 96 Ca 0.11 -0.50 -0.17 0.00 0.00 0.00 0.00 54.91 54.35 2rej h ALA 96 Cb 0.45 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2rej h ALA 96 CO 0.02 0.69 -0.92 -0.44 0.00 0.00 0.00 179.25 178.60 2rej h ASP 97 N 0.00 0.00 0.00 0.00 5.19 -1.91 -3.37 116.42 116.33 2rej h ASP 97 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2rej h ASP 97 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 2rej h ASP 97 CO 0.07 0.76 -1.31 0.00 -3.12 0.00 0.00 179.24 175.64 2rej n ILE 98 N -3.22 0.00 -0.06 0.35 3.06 -1.22 -4.72 119.36 113.54 2rej n ILE 98 Ca -0.02 -0.22 -0.10 0.00 -2.50 0.00 0.00 62.75 59.92 2rej n ILE 98 Cb 0.86 0.61 -0.03 0.00 0.54 0.00 0.00 39.64 41.62 2rej n ILE 98 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2rej h ALA 99 N 2.31 0.32 -0.78 1.51 0.00 -1.71 -3.04 119.26 117.85 2rej h ALA 99 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2rej h ALA 99 Cb 0.63 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2rej h ALA 99 CO 0.00 -0.21 0.43 -1.35 0.00 0.00 0.00 179.25 178.12 2rej h PRO 100 N 0.34 1.09 0.00 0.00 0.11 -1.85 -2.94 132.00 128.75 2rej h PRO 100 Ca 0.09 -0.12 -0.07 0.00 0.11 0.00 0.00 66.00 66.01 2rej h PRO 100 Cb -0.04 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.85 2rej h PRO 100 CO -0.02 0.80 -0.34 1.88 -0.21 0.00 0.00 178.00 180.11 2rej h TYR 101 N 1.09 0.00 0.00 0.65 0.05 -1.87 -2.81 116.97 114.08 2rej h TYR 101 Ca 0.28 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 59.02 2rej h TYR 101 Cb 0.03 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 2rej h TYR 101 CO 0.01 0.34 -0.19 -0.09 -1.05 0.00 0.00 178.16 177.18 2rej h ARG 102 N 0.00 0.00 0.11 4.88 2.43 -1.41 -1.99 114.38 118.39 2rej h ARG 102 Ca -0.00 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.87 2rej h ARG 102 Cb 0.93 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 2rej h ARG 102 CO 0.04 0.19 -1.47 0.93 -1.51 0.00 0.00 179.97 178.15 2rej h GLU 103 N 0.00 0.22 -0.71 0.20 5.08 -1.44 -3.36 114.58 114.57 2rej h GLU 103 Ca -0.00 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2rej h GLU 103 Cb 0.83 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2rej h GLU 103 CO 0.02 1.09 0.00 -0.40 -1.00 0.00 0.00 179.01 178.72 2rej n ASP 104 N -3.43 3.92 -2.39 1.42 5.68 -1.19 -4.97 116.55 115.59 2rej n ASP 104 Ca -0.14 -2.01 -0.17 0.00 -0.50 0.00 0.00 54.79 51.96 2rej n ASP 104 Cb 1.03 -0.48 0.03 0.00 -1.14 0.00 0.00 41.12 40.56 2rej n ASP 104 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2rej n LYS 105 N 1.57 -3.77 0.04 0.11 5.02 -1.13 -4.94 118.16 115.06 2rej n LYS 105 Ca 0.24 0.72 -0.04 0.00 -2.02 0.00 0.00 58.31 57.20 2rej n LYS 105 Cb 0.62 -5.17 -0.09 0.00 -0.02 0.00 0.00 35.03 30.37 2rej n LYS 105 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2rej h SER 106 N -1.06 0.00 -4.64 4.39 0.87 -1.70 -3.46 113.55 107.95 2rej h SER 106 Ca -0.42 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 59.85 2rej h SER 106 Cb 1.29 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 63.05 2rej h SER 106 CO 0.45 0.81 -0.73 0.68 -0.53 0.00 0.00 176.83 177.50 2rej s VAL 107 N -2.77 0.70 0.14 2.23 -7.23 -1.24 -3.76 120.40 108.48 2rej s VAL 107 Ca -0.02 -1.32 0.08 0.00 -1.81 0.00 0.00 61.98 58.92 2rej s VAL 107 Cb 0.09 -0.94 -0.04 0.00 0.56 0.00 0.00 36.38 36.05 2rej s VAL 107 CO 0.81 -0.46 -0.18 -1.61 -0.31 0.00 0.00 175.10 173.35 2rej s GLU 108 N -2.11 1.20 0.04 4.82 2.02 -0.85 -4.80 118.70 119.03 2rej s GLU 108 Ca -0.03 -1.33 0.04 0.00 0.02 0.00 0.00 54.97 53.67 2rej s GLU 108 Cb -0.07 -1.27 -0.04 0.00 0.10 0.00 0.00 34.13 32.85 2rej s GLU 108 CO -0.00 0.27 -0.03 0.99 0.02 0.00 0.00 175.26 176.50 2rej s THR 109 N -1.87 3.88 -0.05 3.63 2.01 -1.26 -2.63 115.64 119.34 2rej s THR 109 Ca 0.13 -0.85 -0.06 0.00 0.31 0.00 0.00 61.69 61.21 2rej s THR 109 Cb -0.07 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 2rej s THR 109 CO 0.06 0.27 -0.13 0.52 -0.69 0.00 0.00 174.62 174.64 2rej n VAL 110 N 1.09 0.98 -3.47 3.82 0.31 -0.83 -5.00 118.33 115.23 2rej n VAL 110 Ca -0.13 0.10 -0.13 0.00 -0.01 0.00 0.00 64.34 64.17 2rej n VAL 110 Cb 0.52 -1.76 -0.03 0.00 -0.91 0.00 0.00 33.84 31.66 2rej n VAL 110 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2rej s ARG 111 N -2.27 1.20 -0.17 5.55 3.52 -1.26 -5.03 118.95 120.49 2rej s ARG 111 Ca -0.12 -0.35 -0.16 0.00 -0.13 0.00 0.00 55.73 54.97 2rej s ARG 111 Cb 0.03 0.55 -0.04 0.00 -1.56 0.00 0.00 34.95 33.93 2rej s ARG 111 CO 0.17 -0.49 0.38 -2.00 -0.81 0.00 0.00 175.30 172.55 2rej s GLU 112 N -3.21 4.23 -0.01 5.12 2.12 -1.26 -2.22 118.70 123.48 2rej s GLU 112 Ca -0.01 0.22 0.12 0.00 0.36 0.00 0.00 54.97 55.66 2rej s GLU 112 Cb -0.01 -3.48 -0.16 0.00 0.26 0.00 0.00 34.13 30.74 2rej s GLU 112 CO -0.08 0.09 0.41 0.27 -0.54 0.00 0.00 175.26 175.41 2rej n ASN 113 N 4.03 1.25 -3.60 -1.70 6.94 -0.75 -5.01 115.26 116.42 2rej n ASN 113 Ca -0.09 -0.44 -0.16 0.00 -0.02 0.00 0.00 54.58 53.87 2rej n ASN 113 Cb 0.51 1.25 -0.07 0.00 -2.36 0.00 0.00 39.78 39.12 2rej n ASN 113 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2rej s LEU 114 N -3.14 -0.11 0.03 -4.53 0.20 -1.25 -3.10 118.68 106.77 2rej s LEU 114 Ca 0.01 0.45 0.01 0.00 0.69 0.00 0.00 54.13 55.28 2rej s LEU 114 Cb 0.09 2.09 -0.02 0.00 -0.43 0.00 0.00 46.19 47.92 2rej s LEU 114 CO 0.51 -0.57 -0.05 0.00 -0.29 0.00 0.00 176.35 175.95 2rej s ALA 115 N -1.41 0.27 0.00 5.97 0.00 -1.26 -3.54 121.76 121.79 2rej s ALA 115 Ca -0.11 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2rej s ALA 115 Cb -0.02 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.20 2rej s ALA 115 CO 0.07 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.14 2rej n GLY 116 N 1.67 0.45 3.05 0.00 0.00 -1.26 -4.95 105.19 104.16 2rej n GLY 116 Ca -0.23 -0.56 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 2rej n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rej n ALA 117 N -0.29 0.47 -2.82 4.61 0.00 -1.26 -4.93 120.51 116.29 2rej n ALA 117 Ca 0.00 -1.77 -0.10 0.00 0.00 0.00 0.00 53.44 51.56 2rej n ALA 117 Cb 0.14 1.43 -0.08 0.00 0.00 0.00 0.00 19.45 20.94 2rej n ALA 117 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2rej s LYS 118 N -3.17 0.77 -0.30 0.00 1.02 -1.24 -3.74 119.74 113.09 2rej s LYS 118 Ca 0.35 -0.68 -0.04 0.00 0.02 0.00 0.00 55.97 55.63 2rej s LYS 118 Cb 0.01 0.32 0.19 0.00 -0.52 0.00 0.00 37.83 37.83 2rej s LYS 118 CO 0.25 -0.24 0.77 -0.47 -0.92 0.00 0.00 175.35 174.75 2rej s TYR 119 N -2.92 -1.25 0.05 3.18 5.04 -0.96 -3.18 117.35 117.30 2rej s TYR 119 Ca -0.02 1.04 -0.12 0.00 -2.44 0.00 0.00 57.07 55.53 2rej s TYR 119 Cb 0.01 0.33 0.04 0.00 0.35 0.00 0.00 41.96 42.69 2rej s TYR 119 CO -0.06 -0.70 0.54 -2.37 -1.34 0.00 0.00 175.55 171.62 2rej n THR 120 N 5.38 0.00 -1.86 4.34 5.66 -1.13 -4.73 114.28 121.95 2rej n THR 120 Ca 0.01 -0.19 -0.32 0.00 -3.05 0.00 0.00 64.05 60.51 2rej n THR 120 Cb 0.54 0.33 0.02 0.00 -1.55 0.00 0.00 70.33 69.67 2rej n THR 120 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2rej s LEU 121 N 0.00 3.34 0.20 1.09 1.43 -1.26 -2.31 118.68 121.17 2rej s LEU 121 Ca 0.12 1.71 -0.15 0.00 -1.03 0.00 0.00 54.13 54.78 2rej s LEU 121 Cb -0.01 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 41.71 2rej s LEU 121 CO 0.01 -1.24 0.46 0.00 0.23 0.00 0.00 176.35 175.81 2rej s ALA 122 N -2.73 -0.59 0.28 4.21 0.00 -0.67 -2.93 121.76 119.33 2rej s ALA 122 Ca 0.61 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.09 2rej s ALA 122 Cb -0.15 0.89 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 2rej s ALA 122 CO 0.45 -0.78 0.32 -2.37 0.00 0.00 0.00 175.76 173.37 2rej n THR 123 N -0.32 0.00 -3.79 0.00 5.66 0.00 -2.24 114.28 113.60 2rej n THR 123 Ca -0.08 -1.71 0.00 0.00 -3.05 0.00 0.00 64.05 59.21 2rej n THR 123 Cb 0.62 0.94 0.00 0.00 -1.55 0.00 0.00 70.33 70.34 2rej n THR 123 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2rej n ASN 124 N -1.82 1.85 -0.05 1.09 0.23 -1.26 -1.18 115.26 114.11 2rej n ASN 124 Ca 0.03 -0.79 -0.09 0.00 -0.53 0.00 0.00 54.58 53.21 2rej n ASN 124 Cb 0.48 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.16 2rej n ASN 124 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2rej h ALA 125 N 1.00 0.24 -0.45 -2.53 0.00 -1.96 -1.32 119.26 114.25 2rej h ALA 125 Ca 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2rej h ALA 125 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2rej h ALA 125 CO 0.00 -0.36 -0.10 0.87 0.00 0.00 0.00 179.25 179.66 2rej h LYS 126 N 0.16 0.80 -0.26 0.00 1.79 -1.94 0.13 116.57 117.24 2rej h LYS 126 Ca 0.10 -0.26 -0.05 0.00 -2.18 0.00 0.00 60.65 58.26 2rej h LYS 126 Cb 0.08 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 2rej h LYS 126 CO -0.12 0.87 -0.06 0.78 -1.08 0.00 0.00 179.45 179.84 2rej h GLY 127 N 0.97 0.45 1.76 3.86 0.00 -1.83 -0.77 103.07 107.50 2rej h GLY 127 Ca 0.12 -0.27 -0.17 0.00 0.00 0.00 0.00 47.33 47.02 2rej h GLY 127 CO 0.04 0.25 -0.71 0.00 0.00 0.00 0.00 176.54 176.12 2rej h ALA 128 N 1.55 0.72 -0.78 3.60 0.00 -0.70 0.20 119.26 123.85 2rej h ALA 128 Ca 0.08 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 2rej h ALA 128 Cb 0.36 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2rej h ALA 128 CO 0.02 0.79 0.38 0.93 0.00 0.00 0.00 179.25 181.37 2rej h GLU 129 N 0.16 1.12 -0.12 0.00 5.08 -0.25 -3.25 114.58 117.33 2rej h GLU 129 Ca -0.02 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 2rej h GLU 129 Cb 1.26 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 2rej h GLU 129 CO 0.11 0.86 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.71 2rej h LEU 130 N 1.10 0.37 0.00 1.33 3.38 -1.03 -3.48 115.31 116.97 2rej h LEU 130 Ca 0.27 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2rej h LEU 130 Cb 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2rej h LEU 130 CO -0.04 0.84 0.00 0.61 0.09 0.00 0.00 178.44 179.95 2rej n GLY 131 N 0.38 0.64 3.44 0.83 0.00 -0.61 -5.11 105.19 104.76 2rej n GLY 131 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 2rej n GLY 131 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rej s ILE 132 N -0.64 4.47 0.00 -0.61 -1.09 0.60 -4.76 121.20 119.17 2rej s ILE 132 Ca 0.00 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 57.73 2rej s ILE 132 Cb 0.00 -4.68 0.00 0.00 -1.58 0.00 0.00 42.46 36.20 2rej s ILE 132 CO 0.00 -1.43 0.00 0.29 -1.23 0.00 0.00 174.94 172.57 2rej n LYS 133 N 7.30 1.36 -4.48 2.79 4.76 -1.26 -4.47 118.16 124.16 2rej n LYS 133 Ca 0.01 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.17 2rej n LYS 133 Cb 0.46 -0.80 -0.09 0.00 -1.84 0.00 0.00 35.03 32.76 2rej n LYS 133 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2rej s ASP 134 N -2.78 4.11 0.28 4.39 2.15 -1.26 -3.63 116.67 119.93 2rej s ASP 134 Ca 0.00 -1.34 0.23 0.00 0.43 0.00 0.00 52.55 51.87 2rej s ASP 134 Cb 0.00 -0.21 1.05 0.00 -0.30 0.00 0.00 42.92 43.46 2rej s ASP 134 CO 0.00 -0.58 1.70 0.33 -0.17 0.00 0.00 175.17 176.45 2rej n PHE 135 N -1.14 0.80 -0.95 -5.34 7.35 -0.12 -2.76 117.46 115.30 2rej n PHE 135 Ca -0.06 0.35 0.08 0.00 -0.76 0.00 0.00 57.45 57.05 2rej n PHE 135 Cb 0.66 -1.06 0.28 0.00 0.35 0.00 0.00 39.48 39.71 2rej n PHE 135 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2rej n LYS 136 N -2.26 3.19 -0.04 -4.13 5.02 -1.26 -4.50 118.16 114.17 2rej n LYS 136 Ca 0.01 -2.86 0.09 0.00 -2.02 0.00 0.00 58.31 53.53 2rej n LYS 136 Cb 0.17 -1.88 0.10 0.00 -0.02 0.00 0.00 35.03 33.40 2rej n LYS 136 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2rej n ASP 137 N -0.31 2.63 0.04 4.39 8.00 -1.11 -4.53 116.55 125.66 2rej n ASP 137 Ca 0.22 -1.78 -0.01 0.00 0.71 0.00 0.00 54.79 53.93 2rej n ASP 137 Cb 0.92 -0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 41.88 2rej n ASP 137 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2rej h ILE 138 N 3.42 0.68 -0.22 0.53 2.04 -1.79 -3.40 117.51 118.77 2rej h ILE 138 Ca 0.00 -2.21 0.06 0.00 1.00 0.00 0.00 64.86 63.70 2rej h ILE 138 Cb 0.76 2.20 -0.06 0.00 -0.74 0.00 0.00 36.82 38.97 2rej h ILE 138 CO 0.00 0.38 -0.17 0.00 0.00 0.00 0.00 178.15 178.36 2rej h ALA 139 N 1.35 -0.02 -0.96 1.87 0.00 -1.80 -3.02 119.26 116.68 2rej h ALA 139 Ca -0.15 0.08 -0.66 0.00 0.00 0.00 0.00 54.91 54.18 2rej h ALA 139 Cb 1.63 0.37 -0.28 0.00 0.00 0.00 0.00 17.79 19.51 2rej h ALA 139 CO 0.06 -0.60 0.86 0.00 0.00 0.00 0.00 179.25 179.57 2rej n ALA 140 N -2.68 6.28 -2.05 0.00 0.00 -1.26 -4.00 120.51 116.80 2rej n ALA 140 Ca -0.01 -3.39 0.00 0.00 0.00 0.00 0.00 53.44 50.04 2rej n ALA 140 Cb 0.24 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 17.93 2rej n ALA 140 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2rej n HIS 141 N -0.80 0.00 0.26 0.00 -0.00 -1.14 -4.91 115.22 108.63 2rej n HIS 141 Ca 0.60 -0.06 0.15 0.00 -0.00 0.00 0.00 57.72 58.42 2rej n HIS 141 Cb 0.63 0.00 0.63 0.00 -0.00 0.00 0.00 29.99 31.24 2rej n HIS 141 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.34 177.91 2rej h LYS 142 N 0.10 0.00 -0.30 -0.41 2.10 -1.69 -3.16 116.57 113.20 2rej h LYS 142 Ca -0.03 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.52 2rej h LYS 142 Cb 1.38 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.71 2rej h LYS 142 CO 0.00 0.06 -0.20 -0.44 -2.00 0.00 0.00 179.45 176.87 2rej h ASP 143 N 0.00 0.69 0.60 7.07 5.19 -1.92 0.16 116.42 128.22 2rej h ASP 143 Ca -0.00 -0.43 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 2rej h ASP 143 Cb 0.57 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.89 2rej h ASP 143 CO 0.01 0.98 0.00 -0.62 -3.12 0.00 0.00 179.24 176.48 2rej n GLU 144 N -4.34 0.33 -0.00 3.56 1.02 -1.20 -3.46 120.64 116.55 2rej n GLU 144 Ca -0.03 0.02 0.04 0.00 -0.02 0.00 0.00 57.16 57.17 2rej n GLU 144 Cb 0.41 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.26 2rej n GLU 144 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2rej n LEU 145 N -1.32 0.04 0.00 -4.62 4.77 -1.12 -4.78 117.00 109.97 2rej n LEU 145 Ca 0.12 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2rej n LEU 145 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2rej n LEU 145 CO 0.22 0.01 0.00 0.47 -1.33 0.00 0.00 177.39 176.76 2rej n ASP 146 N -1.75 0.00 -1.37 -1.43 8.00 0.55 -3.79 116.55 116.76 2rej n ASP 146 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2rej n ASP 146 Cb 0.22 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 2rej n ASP 146 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rej n GLY 147 N -1.94 0.06 2.76 0.44 0.00 -1.11 -4.94 105.19 100.46 2rej n GLY 147 Ca 0.00 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 2rej n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rej s LYS 148 N -2.91 -0.03 -0.10 1.61 1.02 -1.25 -3.01 119.74 115.08 2rej s LYS 148 Ca 0.00 0.37 -0.07 0.00 0.02 0.00 0.00 55.97 56.28 2rej s LYS 148 Cb 0.00 -0.35 0.03 0.00 -0.52 0.00 0.00 37.83 36.99 2rej s LYS 148 CO 0.00 -0.26 0.24 0.42 -0.92 0.00 0.00 175.35 174.83 2rej s ILE 149 N 1.79 -0.01 0.00 2.17 1.01 -1.13 -4.70 121.20 120.32 2rej s ILE 149 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.69 2rej s ILE 149 Cb -0.12 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 41.99 2rej s ILE 149 CO -0.04 0.02 0.00 -1.22 0.00 0.00 0.00 174.94 173.70 2rej n TYR 150 N 3.36 0.00 0.00 3.97 4.01 -0.97 0.67 117.16 128.19 2rej n TYR 150 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 2rej n TYR 150 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 2rej n TYR 150 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2rej n GLY 151 N 0.00 4.61 0.00 2.72 0.00 -0.97 -4.41 105.19 107.14 2rej n GLY 151 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2rej n GLY 151 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2rej n ILE 152 N 0.00 0.00 -1.95 -0.61 3.06 -1.26 -4.15 119.36 114.45 2rej n ILE 152 Ca 0.00 0.00 -0.35 0.00 -2.50 0.00 0.00 62.75 59.90 2rej n ILE 152 Cb 0.00 0.00 0.04 0.00 0.54 0.00 0.00 39.64 40.22 2rej n ILE 152 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 2rej s GLU 153 N 1.83 2.92 0.16 9.51 8.01 -1.03 -2.69 118.70 137.41 2rej s GLU 153 Ca 0.00 1.70 -0.32 0.00 0.01 0.00 0.00 54.97 56.37 2rej s GLU 153 Cb 0.00 -1.94 -0.10 0.00 -4.31 0.00 0.00 34.13 27.78 2rej s GLU 153 CO 0.00 -1.22 1.64 -2.14 0.01 0.00 0.00 175.26 173.55 2rej s PRO 154 N -3.52 4.18 -0.07 0.39 0.02 -1.26 -3.71 135.00 131.03 2rej s PRO 154 Ca 0.74 2.44 -0.00 0.00 0.02 0.00 0.00 61.00 64.20 2rej s PRO 154 Cb -0.27 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.02 2rej s PRO 154 CO 0.35 -0.68 0.07 0.41 -0.33 0.00 0.00 177.00 176.81 2rej n GLY 155 N 3.88 -0.40 2.97 0.52 0.00 -1.26 -4.93 105.19 105.98 2rej n GLY 155 Ca 0.15 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2rej n GLY 155 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2rej s ASN 156 N -2.07 0.18 0.28 1.61 3.84 -1.24 -4.38 114.94 113.15 2rej s ASN 156 Ca 0.00 -0.38 0.08 0.00 0.21 0.00 0.00 52.86 52.77 2rej s ASN 156 Cb -0.00 0.09 0.39 0.00 -0.55 0.00 0.00 41.25 41.19 2rej s ASN 156 CO 0.07 -0.25 1.64 -2.24 -2.79 0.00 0.00 177.10 173.53 2rej h ASP 157 N 4.89 0.14 -0.26 -4.21 2.03 -1.93 -3.10 116.42 113.99 2rej h ASP 157 Ca -0.30 -0.07 -0.15 0.00 -0.73 0.00 0.00 57.03 55.77 2rej h ASP 157 Cb 1.21 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 39.66 2rej h ASP 157 CO 0.43 0.65 -0.39 1.23 -1.03 0.00 0.00 179.24 180.13 2rej h GLY 158 N 1.49 0.87 1.86 7.15 0.00 -1.97 -3.15 103.07 109.33 2rej h GLY 158 Ca -0.00 -0.89 -0.12 0.00 0.00 0.00 0.00 47.33 46.33 2rej h GLY 158 CO 0.08 0.80 -0.50 3.43 0.00 0.00 0.00 176.54 180.35 2rej h ASN 159 N 0.66 0.17 -0.35 0.19 -0.26 -1.91 -3.34 115.58 110.73 2rej h ASN 159 Ca 0.05 -0.08 -0.05 0.00 -0.56 0.00 0.00 56.30 55.66 2rej h ASN 159 Cb 0.95 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 38.15 2rej h ASN 159 CO 0.09 0.64 0.03 -0.09 -1.06 0.00 0.00 177.43 177.04 2rej h ARG 160 N 0.13 0.60 0.00 0.81 2.43 -1.49 -3.14 114.38 113.72 2rej h ARG 160 Ca 0.00 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 58.97 2rej h ARG 160 Cb 0.93 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2rej h ARG 160 CO 0.07 0.69 -0.16 -0.07 -1.51 0.00 0.00 179.97 179.00 2rej h LEU 161 N 0.43 0.00 0.11 3.80 3.38 -1.68 -2.64 115.31 118.70 2rej h LEU 161 Ca 0.10 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 2rej h LEU 161 Cb 0.40 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.17 2rej h LEU 161 CO 0.01 0.16 -0.64 0.40 0.09 0.00 0.00 178.44 178.46 2rej h ILE 162 N 0.00 1.57 -0.61 1.22 2.04 -1.72 -3.14 117.51 116.86 2rej h ILE 162 Ca -0.00 -2.48 0.14 0.00 1.00 0.00 0.00 64.86 63.52 2rej h ILE 162 Cb 0.46 3.22 -0.03 0.00 -0.74 0.00 0.00 36.82 39.72 2rej h ILE 162 CO 0.02 0.69 0.42 0.40 0.00 0.00 0.00 178.15 179.68 2rej h ILE 163 N -0.48 0.78 -0.10 -0.67 2.04 -1.48 0.82 117.51 118.42 2rej h ILE 163 Ca -0.11 -0.07 -0.14 0.00 1.00 0.00 0.00 64.86 65.54 2rej h ILE 163 Cb 1.50 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 2rej h ILE 163 CO 0.12 0.04 -0.55 -0.78 0.00 0.00 0.00 178.15 176.98 2rej h ASP 164 N 0.20 0.33 0.04 1.72 1.82 -1.53 -3.24 116.42 115.76 2rej h ASP 164 Ca 0.29 -0.18 -0.00 0.00 -0.39 0.00 0.00 57.03 56.75 2rej h ASP 164 Cb 0.88 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.79 2rej h ASP 164 CO -0.05 0.82 -0.02 0.24 -1.61 0.00 0.00 179.24 178.62 2rej h MET 165 N 0.23 -0.05 0.00 0.28 2.86 -0.86 -3.34 114.93 114.06 2rej h MET 165 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2rej h MET 165 Cb 1.04 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.71 2rej h MET 165 CO 0.09 0.61 0.00 1.33 1.06 0.00 0.00 176.91 180.00 2rej n VAL 166 N -4.76 0.00 -0.71 -2.22 0.24 -0.33 -2.24 118.33 108.31 2rej n VAL 166 Ca -0.08 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.29 2rej n VAL 166 Cb 0.34 -0.77 0.16 0.00 -1.47 0.00 0.00 33.84 32.09 2rej n VAL 166 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2rej n GLU 167 N -0.98 2.42 0.00 7.34 2.13 -1.22 -4.38 120.64 125.95 2rej n GLU 167 Ca 0.09 -2.41 0.00 0.00 0.66 0.00 0.00 57.16 55.51 2rej n GLU 167 Cb 0.04 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.25 2rej n GLU 167 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2rej n LYS 168 N -0.62 0.00 -2.38 5.31 5.02 -0.95 -5.06 118.16 119.48 2rej n LYS 168 Ca 0.15 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.41 2rej n LYS 168 Cb 0.63 -0.33 0.01 0.00 -0.02 0.00 0.00 35.03 35.31 2rej n LYS 168 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2rej n GLY 169 N 0.00 0.55 3.59 0.72 0.00 -1.23 -5.01 105.19 103.80 2rej n GLY 169 Ca 0.00 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 2rej n GLY 169 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rej s THR 170 N -2.65 4.88 0.00 2.61 2.01 -1.25 -4.31 115.64 116.94 2rej s THR 170 Ca 0.04 0.77 0.00 0.00 0.31 0.00 0.00 61.69 62.82 2rej s THR 170 Cb -0.02 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 68.43 2rej s THR 170 CO 0.05 -0.25 0.00 0.49 -0.69 0.00 0.00 174.62 174.22 2rej n PHE 171 N 6.03 0.00 -3.94 4.92 3.72 -1.26 -1.20 117.46 125.73 2rej n PHE 171 Ca -0.00 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.10 2rej n PHE 171 Cb 0.49 -0.10 -0.14 0.00 -0.94 0.00 0.00 39.48 38.78 2rej n PHE 171 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2rej s ASP 172 N -2.21 4.31 0.00 4.37 1.01 -1.26 -4.35 116.67 118.54 2rej s ASP 172 Ca 0.00 -2.90 0.13 0.00 0.71 0.00 0.00 52.55 50.49 2rej s ASP 172 Cb 0.00 -1.60 0.77 0.00 1.01 0.00 0.00 42.92 43.10 2rej s ASP 172 CO 0.00 -0.25 1.48 0.18 0.21 0.00 0.00 175.17 176.79 2rej n LEU 173 N 3.25 0.00 -4.62 1.23 4.32 -0.34 -4.88 117.00 115.96 2rej n LEU 173 Ca 0.05 0.00 -0.45 0.00 -0.02 0.00 0.00 56.01 55.60 2rej n LEU 173 Cb 0.33 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.09 2rej n LEU 173 CO 0.32 0.00 1.69 1.17 -1.22 0.00 0.00 177.39 179.35 2rej n LYS 174 N -0.71 2.23 0.00 3.23 4.81 -1.26 -3.04 118.16 123.43 2rej n LYS 174 Ca 0.10 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.28 2rej n LYS 174 Cb 0.04 -2.97 0.00 0.00 0.02 0.00 0.00 35.03 32.12 2rej n LYS 174 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2rej n GLY 175 N 5.16 1.61 3.59 3.14 0.00 -1.26 -5.05 105.19 112.38 2rej n GLY 175 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 2rej n GLY 175 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2rej s PHE 176 N -1.44 0.59 -0.03 1.61 0.40 -1.17 -5.08 117.98 112.86 2rej s PHE 176 Ca 0.00 0.54 0.01 0.00 -0.60 0.00 0.00 56.93 56.88 2rej s PHE 176 Cb 0.00 -3.42 0.01 0.00 0.51 0.00 0.00 43.02 40.13 2rej s PHE 176 CO 0.00 -3.84 -0.05 -2.00 0.70 0.00 0.00 175.22 170.03 2rej s GLU 177 N -5.35 0.73 -0.18 0.44 2.12 -1.16 -5.07 118.70 110.21 2rej s GLU 177 Ca 0.70 -0.15 -0.07 0.00 0.36 0.00 0.00 54.97 55.82 2rej s GLU 177 Cb -0.11 -0.73 -0.04 0.00 0.26 0.00 0.00 34.13 33.52 2rej s GLU 177 CO 0.56 -0.01 0.05 0.08 -0.54 0.00 0.00 175.26 175.41 2rej s VAL 178 N 0.56 4.65 -0.19 3.70 1.01 -1.23 -2.85 120.40 126.05 2rej s VAL 178 Ca -0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 2rej s VAL 178 Cb -0.11 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.18 2rej s VAL 178 CO 0.00 0.46 -0.11 -0.69 0.00 0.00 0.00 175.10 174.76 2rej s VAL 179 N 0.44 2.90 -0.19 2.92 1.01 0.21 -4.80 120.40 122.89 2rej s VAL 179 Ca 0.02 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.25 2rej s VAL 179 Cb -0.13 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 2rej s VAL 179 CO 0.01 0.48 0.10 -1.61 0.00 0.00 0.00 175.10 174.08 2rej s GLU 180 N 1.15 4.04 0.00 2.72 2.02 -1.26 -2.28 118.70 125.09 2rej s GLU 180 Ca 0.01 -0.26 0.00 0.00 0.02 0.00 0.00 54.97 54.74 2rej s GLU 180 Cb -0.14 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 30.77 2rej s GLU 180 CO -0.04 0.33 0.00 0.45 0.02 0.00 0.00 175.26 176.02 2rej n SER 181 N 3.39 0.01 -1.21 -0.19 2.88 -1.09 -4.98 113.62 112.43 2rej n SER 181 Ca -0.17 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.36 2rej n SER 181 Cb 0.52 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.98 2rej n SER 181 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2rej n SER 182 N 0.00 -0.17 -0.03 -3.46 3.41 -1.26 -2.46 113.62 109.64 2rej n SER 182 Ca 0.00 -1.20 -0.12 0.00 -0.26 0.00 0.00 58.87 57.30 2rej n SER 182 Cb 0.00 0.30 -0.06 0.00 -0.26 0.00 0.00 64.21 64.19 2rej n SER 182 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2rej h GLU 183 N 0.00 0.20 -0.04 4.33 4.81 -1.96 -1.86 114.58 120.07 2rej h GLU 183 Ca -0.03 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.06 2rej h GLU 183 Cb 0.13 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2rej h GLU 183 CO 0.04 0.37 -0.39 -0.56 -0.73 0.00 0.00 179.01 177.74 2rej h GLN 184 N 0.01 0.08 0.08 1.92 3.07 -2.00 -3.20 115.11 115.07 2rej h GLN 184 Ca 0.04 -0.03 -0.26 0.00 0.09 0.00 0.00 58.65 58.49 2rej h GLN 184 Cb 0.25 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.80 2rej h GLN 184 CO 0.00 0.46 -1.21 0.78 0.09 0.00 0.00 178.83 178.95 2rej h GLY 185 N 1.19 0.20 1.08 0.06 0.00 -1.95 -3.29 103.07 100.36 2rej h GLY 185 Ca 0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 47.33 46.70 2rej h GLY 185 CO 0.05 0.45 -0.15 1.98 0.00 0.00 0.00 176.54 178.88 2rej h MET 186 N 0.05 0.98 -0.08 4.80 -1.53 -1.36 -3.26 114.93 114.54 2rej h MET 186 Ca -0.11 -0.39 -0.14 0.00 -3.44 0.00 0.00 59.70 55.62 2rej h MET 186 Cb 1.92 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 32.90 2rej h MET 186 CO 0.17 1.06 -0.58 -0.07 0.14 0.00 0.00 176.91 177.63 2rej h LEU 187 N 0.84 0.27 -0.51 3.39 3.38 -1.67 -3.23 115.31 117.78 2rej h LEU 187 Ca 0.12 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 2rej h LEU 187 Cb 0.71 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2rej h LEU 187 CO 0.05 0.79 -0.27 0.00 0.09 0.00 0.00 178.44 179.11 2rej h ALA 188 N 1.21 0.70 0.00 1.53 0.00 -1.63 -2.77 119.26 118.30 2rej h ALA 188 Ca -0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 2rej h ALA 188 Cb 1.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2rej h ALA 188 CO 0.09 0.67 -0.19 1.96 0.00 0.00 0.00 179.25 181.78 2rej h GLN 189 N 0.79 0.00 -0.58 0.00 1.08 -1.62 -2.84 115.11 111.93 2rej h GLN 189 Ca 0.09 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.19 2rej h GLN 189 Cb 0.84 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.25 2rej h GLN 189 CO 0.07 0.19 -0.05 0.28 -0.95 0.00 0.00 178.83 178.37 2rej h VAL 190 N 0.00 1.27 -0.13 -0.54 2.07 -1.51 -3.06 116.25 114.34 2rej h VAL 190 Ca -0.00 -1.20 -0.09 0.00 0.82 0.00 0.00 66.70 66.23 2rej h VAL 190 Cb 0.58 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2rej h VAL 190 CO 0.02 0.43 -0.30 0.00 0.02 0.00 0.00 177.57 177.74 2rej h ALA 191 N 0.98 1.25 0.00 1.67 0.00 -1.41 -3.05 119.26 118.70 2rej h ALA 191 Ca 0.16 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 2rej h ALA 191 Cb 0.61 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2rej h ALA 191 CO 0.04 0.51 -0.22 0.00 0.00 0.00 0.00 179.25 179.58 2rej h ARG 192 N 0.22 0.00 0.00 0.00 3.08 -1.45 -2.69 114.38 113.54 2rej h ARG 192 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2rej h ARG 192 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2rej h ARG 192 CO 0.05 0.22 -0.40 0.00 -1.07 0.00 0.00 179.97 178.76 2rej n ALA 193 N -2.47 2.71 0.82 0.04 0.00 -1.15 -3.84 120.51 116.61 2rej n ALA 193 Ca -0.02 -0.17 0.13 0.00 0.00 0.00 0.00 53.44 53.38 2rej n ALA 193 Cb 0.28 -1.28 0.53 0.00 0.00 0.00 0.00 19.45 18.98 2rej n ALA 193 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2rej n GLU 194 N -2.15 0.10 -0.63 0.00 -0.58 -1.01 -1.68 120.64 114.68 2rej n GLU 194 Ca 0.04 0.10 0.09 0.00 -0.42 0.00 0.00 57.16 56.98 2rej n GLU 194 Cb 0.43 -1.62 0.36 0.00 -0.57 0.00 0.00 31.44 30.05 2rej n GLU 194 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2rej n LYS 195 N -1.78 3.79 0.00 3.49 5.02 -1.25 -4.26 118.16 123.17 2rej n LYS 195 Ca 0.06 -2.91 0.00 0.00 -2.02 0.00 0.00 58.31 53.44 2rej n LYS 195 Cb 0.36 -1.91 0.00 0.00 -0.02 0.00 0.00 35.03 33.46 2rej n LYS 195 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2rej n SER 196 N 1.12 0.00 -2.73 4.39 2.88 -1.19 -5.09 113.62 113.00 2rej n SER 196 Ca 0.26 -0.30 -0.07 0.00 -1.33 0.00 0.00 58.87 57.43 2rej n SER 196 Cb 0.91 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.38 2rej n SER 196 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2rej n GLY 197 N 0.00 -1.51 3.12 0.46 0.00 -0.68 -5.05 105.19 101.53 2rej n GLY 197 Ca 0.00 1.09 -0.20 0.00 0.00 0.00 0.00 46.02 46.91 2rej n GLY 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rej s ASP 198 N -2.40 1.58 0.37 1.61 1.01 -1.12 -5.00 116.67 112.72 2rej s ASP 198 Ca 0.21 -0.36 -0.28 0.00 0.71 0.00 0.00 52.55 52.83 2rej s ASP 198 Cb -0.06 -0.13 -0.10 0.00 1.01 0.00 0.00 42.92 43.64 2rej s ASP 198 CO 0.71 0.08 1.37 -2.16 0.21 0.00 0.00 175.17 175.38 2rej s PRO 199 N -0.80 4.16 -0.09 8.23 0.04 -1.26 -4.83 135.00 140.45 2rej s PRO 199 Ca 0.03 2.33 -0.25 0.00 0.04 0.00 0.00 61.00 63.14 2rej s PRO 199 Cb -0.07 -2.95 0.06 0.00 0.04 0.00 0.00 34.50 31.58 2rej s PRO 199 CO 0.01 -0.40 0.59 -1.50 0.04 0.00 0.00 177.00 175.74 2rej s ILE 200 N -1.16 0.01 -0.07 0.56 2.07 -1.26 -4.93 121.20 116.42 2rej s ILE 200 Ca 0.52 -0.10 -0.00 0.00 -1.41 0.00 0.00 60.65 59.67 2rej s ILE 200 Cb -0.42 -0.88 0.02 0.00 0.13 0.00 0.00 42.46 41.31 2rej s ILE 200 CO 0.55 -0.05 -0.04 0.54 -1.91 0.00 0.00 174.94 174.03 2rej s VAL 201 N -0.83 0.62 0.00 4.00 0.11 -1.26 -4.18 120.40 118.86 2rej s VAL 201 Ca -0.09 -0.09 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 2rej s VAL 201 Cb -0.02 -0.68 0.00 0.00 -1.53 0.00 0.00 36.38 34.15 2rej s VAL 201 CO 0.06 0.28 0.00 2.22 -3.33 0.00 0.00 175.10 174.33 2rej n PHE 202 N 4.61 -0.21 -3.93 1.54 -1.74 -0.95 -4.75 117.46 112.03 2rej n PHE 202 Ca -0.16 0.00 -0.35 0.00 -0.56 0.00 0.00 57.45 56.38 2rej n PHE 202 Cb 0.50 0.00 -0.14 0.00 1.52 0.00 0.00 39.48 41.36 2rej n PHE 202 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2rej s LEU 203 N 0.00 2.90 0.14 5.98 2.96 -1.26 -1.67 118.68 127.72 2rej s LEU 203 Ca 0.00 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 53.58 2rej s LEU 203 Cb 0.00 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 2rej s LEU 203 CO 0.00 -0.01 -0.12 -0.83 -1.32 0.00 0.00 176.35 174.07 2rej s GLY 204 N 1.44 1.07 0.00 7.98 0.00 -0.98 -4.98 107.32 111.85 2rej s GLY 204 Ca 0.05 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.38 2rej s GLY 204 CO -0.03 -1.47 0.00 -2.67 0.00 0.00 0.00 173.10 168.93 2rej n TRP 205 N 0.15 -0.28 -3.68 1.90 2.14 -1.26 -2.84 117.44 113.57 2rej n TRP 205 Ca -0.13 0.00 -0.14 0.00 2.07 0.00 0.00 57.50 59.30 2rej n TRP 205 Cb 0.59 0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 31.00 2rej n TRP 205 CO 0.00 0.00 0.00 -2.00 2.07 0.00 0.00 177.69 177.76 2rej s GLU 206 N -1.90 0.67 0.18 -2.67 2.12 -1.19 -4.67 118.70 111.24 2rej s GLU 206 Ca 0.00 0.66 -0.01 0.00 0.36 0.00 0.00 54.97 55.98 2rej s GLU 206 Cb 0.00 0.32 -0.04 0.00 0.26 0.00 0.00 34.13 34.67 2rej s GLU 206 CO 0.00 -0.10 0.38 -1.25 -0.54 0.00 0.00 175.26 173.74 2rej s PRO 207 N 0.07 3.53 -0.28 4.30 0.04 -1.26 -3.72 135.00 137.68 2rej s PRO 207 Ca -0.02 -0.30 -0.26 0.00 0.04 0.00 0.00 61.00 60.47 2rej s PRO 207 Cb -0.04 -2.85 0.16 0.00 0.04 0.00 0.00 34.50 31.81 2rej s PRO 207 CO 0.02 0.43 1.26 -1.58 0.04 0.00 0.00 177.00 177.16 2rej s HIS 208 N -1.80 -0.23 0.12 0.56 2.46 -1.26 -5.03 115.29 110.11 2rej s HIS 208 Ca 0.39 0.54 0.04 0.00 0.47 0.00 0.00 55.06 56.50 2rej s HIS 208 Cb -0.11 0.44 0.24 0.00 -0.13 0.00 0.00 32.58 33.01 2rej s HIS 208 CO 0.28 -0.12 0.91 -2.30 -2.47 0.00 0.00 174.74 171.04 2rej n PRO 209 N 1.70 0.04 -0.36 2.88 -0.02 -1.26 -2.32 135.00 135.67 2rej n PRO 209 Ca -0.10 0.44 0.26 0.00 -2.02 0.00 0.00 63.50 62.07 2rej n PRO 209 Cb 0.57 -2.15 0.52 0.00 -0.02 0.00 0.00 33.50 32.42 2rej n PRO 209 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2rej h MET 210 N 0.00 0.31 0.00 -0.52 4.05 -1.95 -2.99 114.93 113.83 2rej h MET 210 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2rej h MET 210 Cb 1.06 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.79 2rej h MET 210 CO 0.00 0.21 -0.27 -0.91 0.23 0.00 0.00 176.91 176.17 2rej h ASN 211 N 0.32 0.00 -0.57 1.39 2.35 -1.83 -3.19 115.58 114.05 2rej h ASN 211 Ca 0.68 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.43 2rej h ASN 211 Cb 1.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.14 2rej h ASN 211 CO -0.40 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.38 2rej n ALA 212 N -2.11 2.41 -0.00 -0.83 0.00 -1.13 -4.56 120.51 114.28 2rej n ALA 212 Ca 0.03 -1.11 0.01 0.00 0.00 0.00 0.00 53.44 52.38 2rej n ALA 212 Cb 0.53 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 19.03 2rej n ALA 212 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2rej n ASN 213 N 1.45 4.30 0.00 0.00 4.13 -1.21 -5.04 115.26 118.90 2rej n ASN 213 Ca 0.22 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.48 2rej n ASN 213 Cb 0.58 1.09 0.00 0.00 -1.54 0.00 0.00 39.78 39.90 2rej n ASN 213 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2rej n PHE 214 N -1.65 0.00 -4.04 3.10 3.72 -1.24 -5.12 117.46 112.22 2rej n PHE 214 Ca -0.01 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.29 2rej n PHE 214 Cb 0.13 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.60 2rej n PHE 214 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 2rej s LYS 215 N 0.00 1.47 0.00 -1.08 0.00 -1.26 -5.15 119.74 113.72 2rej s LYS 215 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 55.97 54.64 2rej s LYS 215 Cb 0.00 0.43 0.00 0.00 0.00 0.00 0.00 37.83 38.26 2rej s LYS 215 CO 0.00 -0.59 0.00 -0.11 0.00 0.00 0.00 175.35 174.65 2rej n LEU 216 N -0.35 0.00 -3.96 2.77 0.00 -1.26 -4.84 117.00 109.36 2rej n LEU 216 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 56.01 55.72 2rej n LEU 216 Cb 0.63 0.00 -0.17 0.00 0.00 0.00 0.00 43.42 43.88 2rej n LEU 216 CO 0.25 0.00 -0.46 -0.89 0.00 0.00 0.00 177.39 176.29 2rej s THR 217 N 0.00 1.25 0.25 1.96 2.01 -0.33 -5.02 115.64 115.76 2rej s THR 217 Ca 0.00 -0.44 -0.26 0.00 0.31 0.00 0.00 61.69 61.30 2rej s THR 217 Cb 0.00 -1.22 -0.09 0.00 0.01 0.00 0.00 72.50 71.21 2rej s THR 217 CO 0.00 0.40 0.88 -0.31 -0.69 0.00 0.00 174.62 174.90 2rej s TYR 218 N 1.55 3.82 0.53 4.92 1.51 -1.26 -0.82 117.35 127.60 2rej s TYR 218 Ca 0.04 1.74 -0.07 0.00 -1.01 0.00 0.00 57.07 57.76 2rej s TYR 218 Cb -0.13 -2.87 -0.03 0.00 -0.11 0.00 0.00 41.96 38.82 2rej s TYR 218 CO -0.08 0.37 0.87 -0.51 -1.11 0.00 0.00 175.55 175.09 2rej s LEU 219 N -1.59 3.47 0.32 -1.29 2.01 -1.15 -4.95 118.68 115.50 2rej s LEU 219 Ca 0.43 1.05 0.03 0.00 0.01 0.00 0.00 54.13 55.66 2rej s LEU 219 Cb -0.21 -4.02 -0.05 0.00 0.01 0.00 0.00 46.19 41.91 2rej s LEU 219 CO 0.26 -0.72 0.09 -0.94 1.01 0.00 0.00 176.35 176.06 2rej s SER 220 N -4.15 2.01 0.00 2.29 1.04 -1.24 -4.87 113.70 108.78 2rej s SER 220 Ca 0.50 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.48 2rej s SER 220 Cb -0.11 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.16 2rej s SER 220 CO 0.48 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.58 2rej n GLY 221 N -0.65 2.25 3.51 7.32 0.00 -1.26 -0.95 105.19 115.41 2rej n GLY 221 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2rej n GLY 221 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2rej s GLY 222 N -2.16 1.67 0.00 -0.02 0.00 -1.26 -4.81 107.32 100.73 2rej s GLY 222 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.45 2rej s GLY 222 CO 0.00 1.62 0.00 1.22 0.00 0.00 0.00 173.10 175.94 2rej n ASP 223 N 6.46 2.63 -1.35 1.64 9.92 -1.26 -4.56 116.55 130.03 2rej n ASP 223 Ca -0.01 0.00 0.09 0.00 -0.53 0.00 0.00 54.79 54.34 2rej n ASP 223 Cb 0.47 0.33 0.31 0.00 -0.64 0.00 0.00 41.12 41.60 2rej n ASP 223 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2rej n ASP 224 N -1.16 4.33 0.07 -2.24 8.00 -1.26 -2.96 116.55 121.33 2rej n ASP 224 Ca 0.00 -2.41 0.00 0.00 0.71 0.00 0.00 54.79 53.09 2rej n ASP 224 Cb 0.20 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 2rej n ASP 224 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2rej n VAL 225 N 0.89 0.55 0.05 2.53 0.31 -1.26 -4.90 118.33 116.50 2rej n VAL 225 Ca 0.23 0.18 0.11 0.00 -0.01 0.00 0.00 64.34 64.85 2rej n VAL 225 Cb 0.80 -1.11 -0.11 0.00 -0.91 0.00 0.00 33.84 32.51 2rej n VAL 225 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2rej n PHE 226 N -3.34 0.33 0.00 3.52 3.01 -1.26 -5.07 117.46 114.65 2rej n PHE 226 Ca 0.00 0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.56 2rej n PHE 226 Cb 0.06 -0.65 0.00 0.00 -0.01 0.00 0.00 39.48 38.89 2rej n PHE 226 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2rej n GLY 227 N 1.24 3.60 3.68 1.37 0.00 -1.24 -4.76 105.19 109.08 2rej n GLY 227 Ca -0.02 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 2rej n GLY 227 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rej s PRO 228 N -5.28 0.63 -1.75 1.61 0.04 -1.16 -2.79 135.00 126.31 2rej s PRO 228 Ca 0.00 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.71 2rej s PRO 228 Cb 0.00 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.79 2rej s PRO 228 CO 0.00 -2.63 0.00 -1.71 0.04 0.00 0.00 177.00 172.70 2rej n ASN 229 N -4.13 -4.99 0.00 6.66 2.85 -1.26 -2.45 115.26 111.94 2rej n ASN 229 Ca 0.06 0.40 0.00 0.00 -0.11 0.00 0.00 54.58 54.92 2rej n ASN 229 Cb 0.56 -3.96 0.00 0.00 1.24 0.00 0.00 39.78 37.63 2rej n ASN 229 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2rej n TYR 230 N -2.57 0.00 -1.63 1.20 4.01 -1.26 -4.69 117.16 112.22 2rej n TYR 230 Ca -0.17 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.57 2rej n TYR 230 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.58 2rej n TYR 230 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2rej n GLY 231 N -2.08 -0.27 3.85 2.72 0.00 -1.03 -4.32 105.19 104.07 2rej n GLY 231 Ca 0.00 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 2rej n GLY 231 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2rej s GLY 232 N -2.18 2.02 0.16 -0.02 0.00 -1.26 -2.27 107.32 103.77 2rej s GLY 232 Ca 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 44.72 44.68 2rej s GLY 232 CO 0.06 0.33 0.35 0.00 0.00 0.00 0.00 173.10 173.84 2rej s ALA 233 N -2.58 -0.34 0.09 3.20 0.00 -1.25 -4.81 121.76 116.06 2rej s ALA 233 Ca 0.57 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.95 2rej s ALA 233 Cb -0.10 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 2rej s ALA 233 CO 0.32 -0.67 -0.12 0.95 0.00 0.00 0.00 175.76 176.24 2rej s THR 234 N -3.92 1.03 0.13 0.00 -4.23 -1.24 -4.06 115.64 103.35 2rej s THR 234 Ca 0.13 -1.54 0.08 0.00 -1.18 0.00 0.00 61.69 59.17 2rej s THR 234 Cb 0.02 -1.28 -0.04 0.00 1.34 0.00 0.00 72.50 72.55 2rej s THR 234 CO -0.03 -0.44 -0.09 -0.69 -0.54 0.00 0.00 174.62 172.82 2rej s VAL 235 N -2.05 3.34 0.20 2.29 1.01 -1.23 -3.12 120.40 120.84 2rej s VAL 235 Ca 0.03 -1.37 0.04 0.00 0.00 0.00 0.00 61.98 60.68 2rej s VAL 235 Cb -0.05 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 2rej s VAL 235 CO 0.01 0.05 0.13 1.41 0.00 0.00 0.00 175.10 176.70 2rej n HIS 236 N 0.50 -0.28 -4.49 5.22 8.25 -1.05 -1.81 115.22 121.55 2rej n HIS 236 Ca -0.13 -1.52 -0.24 0.00 -0.26 0.00 0.00 57.72 55.57 2rej n HIS 236 Cb 0.53 0.11 -0.17 0.00 1.12 0.00 0.00 29.99 31.59 2rej n HIS 236 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2rej s THR 237 N -2.64 1.05 0.05 1.59 2.01 -0.94 -3.69 115.64 113.06 2rej s THR 237 Ca 0.19 -0.42 0.08 0.00 0.31 0.00 0.00 61.69 61.85 2rej s THR 237 Cb 0.01 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.51 2rej s THR 237 CO 0.13 0.34 -0.22 0.20 -0.69 0.00 0.00 174.62 174.38 2rej s ASN 238 N 0.75 3.48 0.10 3.53 0.01 -1.18 -1.96 114.94 119.68 2rej s ASN 238 Ca -0.13 -0.52 -0.03 0.00 -0.71 0.00 0.00 52.86 51.47 2rej s ASN 238 Cb -0.15 -0.44 -0.03 0.00 0.41 0.00 0.00 41.25 41.03 2rej s ASN 238 CO 0.03 0.25 0.06 0.68 -1.51 0.00 0.00 177.10 176.61 2rej s VAL 239 N -0.88 0.14 0.50 1.60 -7.23 -1.08 -3.14 120.40 110.32 2rej s VAL 239 Ca 0.13 -1.75 -0.13 0.00 -1.81 0.00 0.00 61.98 58.42 2rej s VAL 239 Cb -0.10 -1.77 -0.06 0.00 0.56 0.00 0.00 36.38 35.00 2rej s VAL 239 CO 0.04 -0.65 0.92 0.00 -0.31 0.00 0.00 175.10 175.10 2rej s ARG 240 N -3.98 3.81 0.20 4.82 1.70 -1.26 -2.00 118.95 122.25 2rej s ARG 240 Ca 0.16 0.74 -0.31 0.00 -0.47 0.00 0.00 55.73 55.85 2rej s ARG 240 Cb 0.07 -2.21 -0.10 0.00 -0.57 0.00 0.00 34.95 32.14 2rej s ARG 240 CO -0.04 -0.26 1.48 0.00 -1.08 0.00 0.00 175.30 175.40 2rej s ALA 241 N -2.67 3.68 0.00 7.88 0.00 -1.25 -3.04 121.76 126.36 2rej s ALA 241 Ca 0.55 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.83 2rej s ALA 241 Cb -0.10 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2rej s ALA 241 CO 0.37 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.80 2rej n GLY 242 N 2.91 1.43 0.24 0.00 0.00 -1.26 -4.93 105.19 103.59 2rej n GLY 242 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 2rej n GLY 242 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2rej h TYR 243 N 0.00 0.00 0.00 1.61 3.20 -1.95 -2.82 116.97 117.01 2rej h TYR 243 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2rej h TYR 243 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2rej h TYR 243 CO 0.00 0.15 0.00 -2.37 -1.64 0.00 0.00 178.16 174.30 2rej n THR 244 N -4.15 1.11 0.20 1.81 5.66 -1.26 -2.62 114.28 115.02 2rej n THR 244 Ca -0.02 0.36 0.05 0.00 -3.05 0.00 0.00 64.05 61.38 2rej n THR 244 Cb 0.23 -1.25 -0.06 0.00 -1.55 0.00 0.00 70.33 67.69 2rej n THR 244 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2rej n THR 245 N -1.88 0.00 -0.05 1.09 -2.24 -1.07 -4.53 114.28 105.60 2rej n THR 245 Ca 0.02 -0.25 -0.18 0.00 -2.27 0.00 0.00 64.05 61.37 2rej n THR 245 Cb 0.14 0.62 -0.13 0.00 -2.10 0.00 0.00 70.33 68.87 2rej n THR 245 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2rej h GLU 246 N 0.00 0.07 -3.02 -0.78 4.81 -1.53 -3.42 114.58 110.72 2rej h GLU 246 Ca 0.00 -0.12 -0.62 0.00 -0.13 0.00 0.00 59.36 58.49 2rej h GLU 246 Cb 0.33 0.05 -0.41 0.00 0.63 0.00 0.00 28.75 29.34 2rej h GLU 246 CO 0.00 1.06 -0.67 0.00 -0.73 0.00 0.00 179.01 178.67 2rej h PRO 248 N 5.90 0.06 -0.45 0.00 0.11 -1.82 -3.30 132.00 132.50 2rej h PRO 248 Ca 0.09 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.21 2rej h PRO 248 Cb 0.84 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 2rej h PRO 248 CO 0.62 0.54 0.30 -0.97 -0.21 0.00 0.00 178.00 178.28 2rej h ASN 249 N -0.42 0.37 1.28 -2.05 -1.24 -1.95 -0.58 115.58 110.98 2rej h ASN 249 Ca 0.00 -0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 2rej h ASN 249 Cb 0.53 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 39.50 2rej h ASN 249 CO 0.01 0.25 -0.15 1.62 -1.29 0.00 0.00 177.43 177.86 2rej h VAL 250 N 0.43 0.33 0.00 2.57 3.04 -1.99 -3.15 116.25 117.48 2rej h VAL 250 Ca 0.19 -1.09 -0.00 0.00 -1.01 0.00 0.00 66.70 64.78 2rej h VAL 250 Cb 0.22 1.85 -0.00 0.00 -2.01 0.00 0.00 31.29 31.35 2rej h VAL 250 CO -0.05 0.15 -0.02 -2.24 -1.01 0.00 0.00 177.57 174.40 2rej h ASP 251 N 0.00 0.00 0.06 3.17 2.03 -1.18 -3.25 116.42 117.25 2rej h ASP 251 Ca -0.00 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.08 2rej h ASP 251 Cb 0.84 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.34 2rej h ASP 251 CO 0.02 0.02 -0.84 0.50 -1.03 0.00 0.00 179.24 177.91 2rej h LYS 252 N 0.00 0.62 -0.48 4.15 3.64 -1.52 -3.19 116.57 119.79 2rej h LYS 252 Ca -0.00 -0.56 -0.05 0.00 -1.27 0.00 0.00 60.65 58.77 2rej h LYS 252 Cb 0.68 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 2rej h LYS 252 CO 0.00 1.17 0.09 1.25 -2.27 0.00 0.00 179.45 179.70 2rej h LEU 253 N 0.40 0.68 -2.04 5.20 6.46 -1.72 -2.89 115.31 121.40 2rej h LEU 253 Ca -0.06 -0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.56 2rej h LEU 253 Cb 1.46 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 41.21 2rej h LEU 253 CO 0.16 0.69 -0.08 -0.07 -0.62 0.00 0.00 178.44 178.52 2rej h LEU 254 N 0.70 0.00 -0.48 2.25 3.38 -1.64 -1.71 115.31 117.82 2rej h LEU 254 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2rej h LEU 254 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2rej h LEU 254 CO 0.00 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.61 2rej n GLN 255 N -3.51 1.32 -0.04 1.13 6.02 -1.09 -4.13 117.38 117.08 2rej n GLN 255 Ca -0.02 -0.48 -0.03 0.00 -0.01 0.00 0.00 57.00 56.47 2rej n GLN 255 Cb 0.21 -1.40 -0.08 0.00 1.02 0.00 0.00 30.24 30.00 2rej n GLN 255 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2rej n ASN 256 N -0.35 2.53 -4.73 1.08 3.02 -0.64 -5.06 115.26 111.10 2rej n ASN 256 Ca 0.18 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.31 2rej n ASN 256 Cb 0.20 0.88 -0.03 0.00 -0.61 0.00 0.00 39.78 40.21 2rej n ASN 256 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2rej s LEU 257 N -4.56 4.43 0.06 3.41 1.43 -1.22 -4.82 118.68 117.40 2rej s LEU 257 Ca -0.05 2.17 -0.09 0.00 -1.03 0.00 0.00 54.13 55.14 2rej s LEU 257 Cb 0.04 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.66 2rej s LEU 257 CO 0.42 -0.39 0.19 -0.44 0.23 0.00 0.00 176.35 176.35 2rej s SER 258 N 0.36 0.06 0.38 2.29 0.01 -1.26 -4.89 113.70 110.66 2rej s SER 258 Ca 0.54 -0.46 0.04 0.00 1.31 0.00 0.00 55.95 57.38 2rej s SER 258 Cb -0.32 0.30 -0.03 0.00 0.21 0.00 0.00 66.02 66.18 2rej s SER 258 CO 0.34 -0.61 0.12 -0.36 0.41 0.00 0.00 173.24 173.14 2rej s PHE 259 N -2.99 1.79 0.11 2.43 0.08 -1.18 -5.12 117.98 113.10 2rej s PHE 259 Ca -0.02 -1.24 -0.09 0.00 0.12 0.00 0.00 56.93 55.71 2rej s PHE 259 Cb 0.01 -1.13 -0.00 0.00 -0.57 0.00 0.00 43.02 41.32 2rej s PHE 259 CO -0.06 -0.28 0.22 0.45 -0.10 0.00 0.00 175.22 175.45 2rej s SER 260 N -3.55 0.10 0.11 1.36 0.15 -1.26 -4.83 113.70 105.78 2rej s SER 260 Ca 0.28 -0.72 -0.14 0.00 0.70 0.00 0.00 55.95 56.07 2rej s SER 260 Cb 0.04 0.37 -0.07 0.00 -1.71 0.00 0.00 66.02 64.65 2rej s SER 260 CO 0.15 -0.78 1.45 -0.07 1.20 0.00 0.00 173.24 175.19 2rej h LEU 261 N 2.69 0.81 -1.02 3.45 4.07 -1.96 -2.57 115.31 120.78 2rej h LEU 261 Ca -0.33 -0.46 -0.03 0.00 0.08 0.00 0.00 57.88 57.14 2rej h LEU 261 Cb 1.21 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 42.69 2rej h LEU 261 CO 0.54 1.10 0.33 -0.61 -1.08 0.00 0.00 178.44 178.72 2rej h GLN 262 N 0.54 1.03 -0.39 1.13 4.15 -2.01 -2.66 115.11 116.90 2rej h GLN 262 Ca 0.06 -0.15 -0.15 0.00 0.77 0.00 0.00 58.65 59.18 2rej h GLN 262 Cb 0.86 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 2rej h GLN 262 CO 0.07 0.80 -0.36 1.98 -1.93 0.00 0.00 178.83 179.40 2rej h MET 263 N 1.02 0.92 -0.23 1.69 4.05 -1.98 -3.23 114.93 117.17 2rej h MET 263 Ca 0.25 -0.47 -0.18 0.00 -0.28 0.00 0.00 59.70 59.02 2rej h MET 263 Cb 0.12 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 30.93 2rej h MET 263 CO -0.03 1.12 -0.57 0.93 0.23 0.00 0.00 176.91 178.59 2rej h GLU 264 N 0.76 0.73 -0.07 0.39 5.08 -1.29 -3.15 114.58 117.03 2rej h GLU 264 Ca 0.07 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 2rej h GLU 264 Cb 0.94 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 2rej h GLU 264 CO 0.09 1.10 0.02 -0.91 -1.00 0.00 0.00 179.01 178.30 2rej h ASN 265 N 0.55 0.10 0.07 1.42 2.35 -1.57 -1.80 115.58 116.71 2rej h ASN 265 Ca 0.01 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 2rej h ASN 265 Cb 1.15 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.49 2rej h ASN 265 CO 0.12 0.30 -0.07 -0.33 -1.65 0.00 0.00 177.43 175.80 2rej h GLU 266 N -0.10 0.00 0.03 0.81 5.08 -1.63 -1.37 114.58 117.40 2rej h GLU 266 Ca 0.02 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.08 2rej h GLU 266 Cb 0.23 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 2rej h GLU 266 CO -0.00 0.07 -1.75 0.97 -1.00 0.00 0.00 179.01 177.29 2rej h ILE 267 N 0.00 0.82 0.00 3.13 6.09 -1.51 -3.22 117.51 122.82 2rej h ILE 267 Ca -0.00 -2.64 0.00 0.00 -1.37 0.00 0.00 64.86 60.85 2rej h ILE 267 Cb 0.12 2.45 0.00 0.00 0.47 0.00 0.00 36.82 39.86 2rej h ILE 267 CO 0.01 0.58 0.00 0.24 -3.07 0.00 0.00 178.15 175.91 2rej h MET 268 N 0.02 0.00 0.00 2.19 2.86 -1.14 -3.39 114.93 115.47 2rej h MET 268 Ca -0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 2rej h MET 268 Cb 2.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.68 2rej h MET 268 CO 0.08 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.46 2rej n GLY 269 N -0.06 0.00 0.00 8.32 0.00 -0.53 -3.04 105.19 109.87 2rej n GLY 269 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2rej n GLY 269 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2rej n LYS 270 N 0.00 0.00 -0.05 1.61 4.81 -1.26 -3.57 118.16 119.70 2rej n LYS 270 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 2rej n LYS 270 Cb 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 34.90 2rej n LYS 270 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 2rej n ILE 271 N 0.00 1.22 -0.04 3.15 3.06 -1.17 -2.87 119.36 122.71 2rej n ILE 271 Ca 0.00 -0.78 -0.01 0.00 -2.50 0.00 0.00 62.75 59.46 2rej n ILE 271 Cb 0.00 -0.55 -0.09 0.00 0.54 0.00 0.00 39.64 39.53 2rej n ILE 271 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2rej n LEU 272 N -2.76 0.00 -0.08 9.51 4.77 -1.24 -3.67 117.00 123.52 2rej n LEU 272 Ca -0.23 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.59 2rej n LEU 272 Cb 1.02 0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 42.17 2rej n LEU 272 CO 0.44 0.17 -0.09 0.78 -1.33 0.00 0.00 177.39 177.36 2rej h ASN 273 N 0.00 0.00 0.17 -1.43 -0.26 -1.82 -3.42 115.58 108.83 2rej h ASN 273 Ca -0.19 -0.65 -0.35 0.00 -0.56 0.00 0.00 56.30 54.55 2rej h ASN 273 Cb 1.26 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.47 2rej h ASN 273 CO 0.01 1.17 -2.13 0.47 -1.06 0.00 0.00 177.43 175.89 2rej n ASP 274 N -4.54 1.11 -1.08 5.81 8.00 -1.26 -4.86 116.55 119.73 2rej n ASP 274 Ca -0.19 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.45 2rej n ASP 274 Cb 0.52 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 2rej n ASP 274 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2rej n GLY 275 N 1.85 -0.06 3.71 0.44 0.00 -1.17 -5.01 105.19 104.94 2rej n GLY 275 Ca -0.31 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 2rej n GLY 275 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rej s GLU 276 N -2.31 2.53 -0.09 1.61 2.02 -1.14 -5.01 118.70 116.32 2rej s GLU 276 Ca 0.00 -1.18 -0.30 0.00 0.02 0.00 0.00 54.97 53.52 2rej s GLU 276 Cb 0.00 -2.37 -0.03 0.00 0.10 0.00 0.00 34.13 31.83 2rej s GLU 276 CO 0.00 0.42 1.39 0.34 0.02 0.00 0.00 175.26 177.43 2rej s ASP 277 N -3.41 6.86 0.33 -0.19 2.15 -1.26 -4.79 116.67 116.36 2rej s ASP 277 Ca 0.30 1.93 0.12 0.00 0.43 0.00 0.00 52.55 55.34 2rej s ASP 277 Cb -0.08 -2.54 1.04 0.00 -0.30 0.00 0.00 42.92 41.03 2rej s ASP 277 CO 0.21 -0.78 1.62 -0.65 -0.17 0.00 0.00 175.17 175.40 2rej h PRO 278 N 8.42 0.16 0.00 4.34 0.11 -1.98 -1.69 132.00 141.35 2rej h PRO 278 Ca -0.33 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.66 2rej h PRO 278 Cb 1.14 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2rej h PRO 278 CO 0.94 0.11 -0.66 0.93 -0.21 0.00 0.00 178.00 179.11 2rej h GLU 279 N 0.17 0.00 -0.03 1.05 5.08 -1.92 -3.04 114.58 115.90 2rej h GLU 279 Ca 0.71 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.87 2rej h GLU 279 Cb 1.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.90 2rej h GLU 279 CO -0.70 0.42 -0.83 -0.22 -1.00 0.00 0.00 179.01 176.67 2rej h LYS 280 N 0.00 0.32 0.00 2.33 3.64 -1.72 -3.16 116.57 117.97 2rej h LYS 280 Ca -0.03 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2rej h LYS 280 Cb 1.39 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 2rej h LYS 280 CO 0.06 0.98 -0.02 0.00 -2.27 0.00 0.00 179.45 178.20 2rej h ALA 281 N 0.92 0.99 -0.32 5.00 0.00 -1.55 -3.18 119.26 121.10 2rej h ALA 281 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 2rej h ALA 281 Cb 1.44 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 2rej h ALA 281 CO 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 179.25 178.95 2rej h ALA 282 N 2.45 0.49 -0.35 0.00 0.00 -1.49 -3.24 119.26 117.11 2rej h ALA 282 Ca 0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 2rej h ALA 282 Cb 0.78 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2rej h ALA 282 CO 0.00 0.63 -0.23 0.00 0.00 0.00 0.00 179.25 179.65 2rej h ALA 283 N 0.71 0.50 0.00 0.00 0.00 -1.62 -3.37 119.26 115.49 2rej h ALA 283 Ca 0.04 -0.38 -0.52 0.00 0.00 0.00 0.00 54.91 54.05 2rej h ALA 283 Cb 1.04 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.74 2rej h ALA 283 CO 0.10 0.48 2.65 0.00 0.00 0.00 0.00 179.25 182.49 2rej n ALA 284 N -2.49 4.55 -0.22 0.00 0.00 -1.20 -1.15 120.51 120.00 2rej n ALA 284 Ca -0.02 -2.70 0.00 0.00 0.00 0.00 0.00 53.44 50.72 2rej n ALA 284 Cb 0.44 -3.28 0.00 0.00 0.00 0.00 0.00 19.45 16.61 2rej n ALA 284 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 2rej n TRP 285 N 5.38 0.00 -0.12 0.00 -0.00 -1.26 -4.87 117.44 116.57 2rej n TRP 285 Ca 0.50 0.00 -0.26 0.00 -0.00 0.00 0.00 57.50 57.74 2rej n TRP 285 Cb 0.25 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.46 2rej n TRP 285 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 2rej n LEU 286 N 0.00 1.92 0.00 5.87 7.94 -0.30 -2.53 117.00 129.91 2rej n LEU 286 Ca 0.00 0.37 0.00 0.00 -1.11 0.00 0.00 56.01 55.27 2rej n LEU 286 Cb 0.01 -0.87 0.00 0.00 0.53 0.00 0.00 43.42 43.09 2rej n LEU 286 CO 0.00 0.41 0.00 1.17 -1.11 0.00 0.00 177.39 177.86 2rej n LYS 287 N -4.33 0.00 -0.03 1.96 4.81 -1.26 -2.92 118.16 116.39 2rej n LYS 287 Ca -0.44 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.13 2rej n LYS 287 Cb 0.79 0.00 0.37 0.00 0.02 0.00 0.00 35.03 36.21 2rej n LYS 287 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2rej n ASP 288 N 4.22 2.04 -2.74 3.14 2.03 -1.23 -4.64 116.55 119.36 2rej n ASP 288 Ca 0.00 -1.69 -0.07 0.00 0.52 0.00 0.00 54.79 53.55 2rej n ASP 288 Cb 0.00 -0.03 0.05 0.00 -0.72 0.00 0.00 41.12 40.41 2rej n ASP 288 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2rej n ASN 289 N 0.58 -2.72 -4.41 1.67 5.15 -1.05 -4.95 115.26 109.54 2rej n ASN 289 Ca 0.17 -2.96 -0.44 0.00 -0.60 0.00 0.00 54.58 50.75 2rej n ASN 289 Cb 0.43 1.63 -0.05 0.00 -0.53 0.00 0.00 39.78 41.26 2rej n ASN 289 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2rej s PRO 290 N 0.65 3.08 0.00 1.20 0.04 -1.15 -4.44 135.00 134.39 2rej s PRO 290 Ca 0.31 -1.11 0.00 0.00 0.04 0.00 0.00 61.00 60.23 2rej s PRO 290 Cb 0.19 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.55 2rej s PRO 290 CO -0.19 -1.38 0.00 0.94 0.04 0.00 0.00 177.00 176.41 2rej n GLN 291 N 6.24 0.00 0.00 4.56 7.27 -1.26 -4.97 117.38 129.22 2rej n GLN 291 Ca -0.08 0.00 0.08 0.00 0.07 0.00 0.00 57.00 57.07 2rej n GLN 291 Cb 0.44 0.00 0.38 0.00 2.41 0.00 0.00 30.24 33.47 2rej n GLN 291 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2rej n SER 292 N 0.00 0.00 0.14 1.69 7.64 -1.26 -3.38 113.62 118.46 2rej n SER 292 Ca 0.00 0.45 0.02 0.00 1.01 0.00 0.00 58.87 60.35 2rej n SER 292 Cb 0.00 -0.48 0.13 0.00 -1.01 0.00 0.00 64.21 62.85 2rej n SER 292 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2rej h ILE 293 N 0.00 1.08 0.14 0.44 6.09 -1.93 -3.37 117.51 119.96 2rej h ILE 293 Ca 0.00 -2.16 0.02 0.00 -1.37 0.00 0.00 64.86 61.34 2rej h ILE 293 Cb 0.29 2.29 -0.03 0.00 0.47 0.00 0.00 36.82 39.83 2rej h ILE 293 CO 0.00 0.54 -0.29 -0.33 -3.07 0.00 0.00 178.15 175.00 2rej h GLU 294 N 0.00 -0.50 0.00 2.19 3.07 -1.99 -2.66 114.58 114.69 2rej h GLU 294 Ca -0.01 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 2rej h GLU 294 Cb 1.24 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 2rej h GLU 294 CO 0.07 -0.33 0.00 -0.35 -1.40 0.00 0.00 179.01 177.00 2rej n PRO 295 N -5.40 0.07 0.03 2.33 -0.04 -1.26 -2.44 135.00 128.30 2rej n PRO 295 Ca -0.07 0.38 0.11 0.00 -0.04 0.00 0.00 63.50 63.89 2rej n PRO 295 Cb 0.31 -1.65 -0.10 0.00 -0.04 0.00 0.00 33.50 32.02 2rej n PRO 295 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2rej n TRP 296 N -1.79 0.36 -0.51 0.54 8.01 -1.03 -4.46 117.44 118.57 2rej n TRP 296 Ca 0.02 0.10 0.09 0.00 -1.31 0.00 0.00 57.50 56.40 2rej n TRP 296 Cb 0.14 -0.65 0.29 0.00 -2.01 0.00 0.00 31.31 29.08 2rej n TRP 296 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 2rej n LEU 297 N -2.38 4.03 -4.62 -0.99 4.77 -1.02 -4.84 117.00 111.95 2rej n LEU 297 Ca -0.02 -2.32 -0.43 0.00 -0.03 0.00 0.00 56.01 53.21 2rej n LEU 297 Cb 0.55 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 2rej n LEU 297 CO 0.44 0.81 1.55 -0.44 -1.33 0.00 0.00 177.39 178.41 2rej s SER 298 N -1.08 6.10 -0.68 -1.43 0.01 -1.25 -3.27 113.70 112.09 2rej s SER 298 Ca 0.42 1.81 -0.04 0.00 1.31 0.00 0.00 55.95 59.46 2rej s SER 298 Cb 0.26 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2rej s SER 298 CO 0.22 -1.46 0.60 0.61 0.41 0.00 0.00 173.24 173.62 2rej n GLY 299 N 5.01 0.18 3.14 3.44 0.00 -1.26 -5.01 105.19 110.68 2rej n GLY 299 Ca 0.22 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 2rej n GLY 299 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rej s VAL 300 N -3.17 1.53 0.53 1.61 1.01 -1.20 -5.03 120.40 115.68 2rej s VAL 300 Ca 0.27 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.55 2rej s VAL 300 Cb -0.12 -1.33 0.02 0.00 0.00 0.00 0.00 36.38 34.95 2rej s VAL 300 CO 0.37 0.44 0.30 0.00 0.00 0.00 0.00 175.10 176.21 2rej s ALA 301 N 0.21 4.31 0.62 5.51 0.00 -1.26 -3.77 121.76 127.39 2rej s ALA 301 Ca -0.09 -1.09 -0.02 0.00 0.00 0.00 0.00 51.96 50.76 2rej s ALA 301 Cb -0.14 -0.54 0.05 0.00 0.00 0.00 0.00 23.12 22.50 2rej s ALA 301 CO 0.04 -0.33 0.88 -0.08 0.00 0.00 0.00 175.76 176.27 2rej s THR 302 N -2.78 2.48 0.43 0.00 -1.32 -1.25 -4.87 115.64 108.33 2rej s THR 302 Ca 0.28 -0.51 0.27 0.00 -1.21 0.00 0.00 61.69 60.52 2rej s THR 302 Cb -0.01 -2.97 0.46 0.00 -1.51 0.00 0.00 72.50 68.47 2rej s THR 302 CO 0.17 0.00 1.68 0.50 -2.21 0.00 0.00 174.62 174.76 2rej h LYS 303 N -0.23 0.18 0.00 7.08 1.63 -1.88 -2.65 116.57 120.69 2rej h LYS 303 Ca -0.43 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 2rej h LYS 303 Cb 1.30 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 2rej h LYS 303 CO 0.54 0.12 -1.61 -0.40 -3.45 0.00 0.00 179.45 174.65 2rej n ASP 304 N -4.62 1.51 0.00 4.20 5.75 -1.26 -5.01 116.55 117.12 2rej n ASP 304 Ca 0.33 -0.07 0.00 0.00 -0.01 0.00 0.00 54.79 55.04 2rej n ASP 304 Cb 1.24 1.63 0.00 0.00 -1.03 0.00 0.00 41.12 42.96 2rej n ASP 304 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2rej n GLY 305 N 1.63 1.61 0.00 6.12 0.00 -1.00 -5.15 105.19 108.40 2rej n GLY 305 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2rej n GLY 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rej n GLY 306 N -0.01 2.73 3.84 -0.02 0.00 -1.26 -4.90 105.19 105.56 2rej n GLY 306 Ca 0.00 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 2rej n GLY 306 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2rej s ASP 307 N -0.57 6.73 -0.15 1.61 -1.08 -1.26 -3.86 116.67 118.10 2rej s ASP 307 Ca 0.00 1.59 -0.12 0.00 -0.52 0.00 0.00 52.55 53.51 2rej s ASP 307 Cb 0.00 -2.51 -0.04 0.00 -1.46 0.00 0.00 42.92 38.91 2rej s ASP 307 CO 0.00 -0.49 -0.22 0.61 0.52 0.00 0.00 175.17 175.58 2rej n GLY 308 N -1.22 -0.84 0.22 2.66 0.00 -1.25 -4.16 105.19 100.59 2rej n GLY 308 Ca 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 2rej n GLY 308 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2rej h LEU 309 N -1.00 0.31 -1.07 0.99 5.85 -1.88 -3.17 115.31 115.34 2rej h LEU 309 Ca -0.00 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 2rej h LEU 309 Cb 0.64 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2rej h LEU 309 CO -0.00 0.62 -0.24 0.00 -0.34 0.00 0.00 178.44 178.48 2rej h ALA 310 N 1.41 1.01 0.21 1.25 0.00 -2.00 -2.99 119.26 118.15 2rej h ALA 310 Ca 0.04 -0.22 -0.32 0.00 0.00 0.00 0.00 54.91 54.41 2rej h ALA 310 Cb 0.69 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.47 2rej h ALA 310 CO 0.05 0.30 -1.44 0.00 0.00 0.00 0.00 179.25 178.16 2rej h ALA 311 N 1.76 -0.05 -0.20 0.00 0.00 -1.77 -3.16 119.26 115.84 2rej h ALA 311 Ca -0.00 -0.90 -0.15 0.00 0.00 0.00 0.00 54.91 53.86 2rej h ALA 311 Cb 0.77 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2rej h ALA 311 CO 0.03 0.82 -0.49 0.28 0.00 0.00 0.00 179.25 179.89 2rej h VAL 312 N 0.12 1.31 -0.50 0.00 2.07 -1.64 -3.24 116.25 114.37 2rej h VAL 312 Ca -0.23 -1.70 -0.10 0.00 0.82 0.00 0.00 66.70 65.49 2rej h VAL 312 Cb 2.11 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 33.55 2rej h VAL 312 CO 0.25 0.53 -0.07 0.50 0.02 0.00 0.00 177.57 178.80 2rej h LYS 313 N 0.43 0.93 0.00 1.57 3.64 -1.63 -2.93 116.57 118.57 2rej h LYS 313 Ca 0.02 -0.33 -0.10 0.00 -1.27 0.00 0.00 60.65 58.97 2rej h LYS 313 Cb 1.01 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 2rej h LYS 313 CO 0.09 0.99 -0.50 0.00 -2.27 0.00 0.00 179.45 177.76 2rej h ALA 314 N 0.91 1.11 0.02 5.00 0.00 -1.57 -3.16 119.26 121.57 2rej h ALA 314 Ca 0.13 -0.45 -0.36 0.00 0.00 0.00 0.00 54.91 54.23 2rej h ALA 314 Cb 0.61 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 2rej h ALA 314 CO 0.04 0.62 -2.21 0.00 0.00 0.00 0.00 179.25 177.70 2rej n ALA 315 N -2.41 1.38 0.42 0.00 0.00 -1.23 -4.39 120.51 114.28 2rej n ALA 315 Ca -0.01 -1.03 0.12 0.00 0.00 0.00 0.00 53.44 52.52 2rej n ALA 315 Cb 0.53 -0.38 0.21 0.00 0.00 0.00 0.00 19.45 19.80 2rej n ALA 315 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2rej h LEU 316 N 0.01 0.00 0.00 0.00 6.46 -1.63 -3.50 115.31 116.66 2rej h LEU 316 Ca -0.48 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.21 2rej h LEU 316 Cb 2.07 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 42.00 2rej h LEU 316 CO 0.02 0.03 0.00 0.61 -0.62 0.00 0.00 178.44 178.48 2rej n GLY 317 N 1.25 1.57 2.82 3.75 0.00 -1.19 -4.96 105.19 108.42 2rej n GLY 317 Ca 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2rej n GLY 317 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36