#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 0.97 -1.03 4.31 7.64 -1.26 -3.52 113.62 120.73 2rej n SER 32 Ca 0.00 -1.78 0.11 0.00 1.01 0.00 0.00 58.87 58.22 2rej n SER 32 Cb 0.00 -0.09 0.16 0.00 -1.01 0.00 0.00 64.21 63.27 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 4.31 0.00 -5.42 0.00 0.00 -2.00 -3.43 103.07 96.53 2rej h GLY 34 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.94 2rej h GLY 34 CO 0.00 0.00 -0.78 -1.59 0.00 0.00 0.00 176.54 174.17 2rej s THR 35 N -4.16 0.65 0.00 4.70 2.01 -1.26 -3.81 115.64 113.78 2rej s THR 35 Ca -0.02 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.68 2rej s THR 35 Cb 0.13 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 2rej s THR 35 CO 0.62 0.20 -0.02 -0.69 -0.69 0.00 0.00 174.62 174.04 2rej s VAL 36 N 0.00 3.97 -0.03 3.82 1.01 -1.22 -5.05 120.40 122.90 2rej s VAL 36 Ca 0.00 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.37 2rej s VAL 36 Cb -0.05 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 2rej s VAL 36 CO -0.00 0.37 -0.25 -0.13 0.00 0.00 0.00 175.10 175.09 2rej s ARG 37 N -1.54 2.20 0.42 2.72 0.52 -1.26 -2.50 118.95 119.50 2rej s ARG 37 Ca 0.19 -0.89 0.04 0.00 -0.52 0.00 0.00 55.73 54.55 2rej s ARG 37 Cb -0.11 -2.01 -0.05 0.00 0.52 0.00 0.00 34.95 33.29 2rej s ARG 37 CO 0.10 0.47 0.04 -0.06 0.02 0.00 0.00 175.30 175.86 2rej s PHE 38 N -0.41 2.11 -0.06 -0.53 0.08 -0.44 -2.74 117.98 115.99 2rej s PHE 38 Ca 0.04 -0.90 -0.01 0.00 0.12 0.00 0.00 56.93 56.19 2rej s PHE 38 Cb -0.11 -1.53 0.03 0.00 -0.57 0.00 0.00 43.02 40.84 2rej s PHE 38 CO 0.01 0.18 -0.01 0.45 -0.10 0.00 0.00 175.22 175.75 2rej s SER 39 N -3.69 1.25 -0.14 1.36 0.15 -1.25 -2.71 113.70 108.68 2rej s SER 39 Ca 0.26 -0.08 -0.00 0.00 0.70 0.00 0.00 55.95 56.82 2rej s SER 39 Cb 0.06 -0.40 0.03 0.00 -1.71 0.00 0.00 66.02 64.00 2rej s SER 39 CO 0.13 -0.15 -0.08 -0.62 1.20 0.00 0.00 173.24 173.72 2rej s ASP 40 N 1.58 2.54 -0.14 5.45 -1.08 -1.14 -4.79 116.67 119.08 2rej s ASP 40 Ca -0.01 -0.48 -0.28 0.00 -0.52 0.00 0.00 52.55 51.27 2rej s ASP 40 Cb -0.13 -0.95 -0.25 0.00 -1.46 0.00 0.00 42.92 40.13 2rej s ASP 40 CO -0.03 -0.13 0.71 0.58 0.52 0.00 0.00 175.17 176.82 2rej h VAL 41 N 6.23 1.69 0.00 1.11 2.07 -1.89 -3.24 116.25 122.22 2rej h VAL 41 Ca -0.30 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 64.93 2rej h VAL 41 Cb 1.12 3.21 0.00 0.00 -1.52 0.00 0.00 31.29 34.10 2rej h VAL 41 CO 0.43 0.57 0.00 0.61 0.02 0.00 0.00 177.57 179.20 2rej n GLY 42 N 1.61 0.30 3.72 2.17 0.00 -1.26 -4.74 105.19 106.98 2rej n GLY 42 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 1.73 0.23 1.61 8.01 -1.26 -4.93 117.44 122.83 2rej n TRP 43 Ca 0.00 0.42 0.11 0.00 -1.31 0.00 0.00 57.50 56.72 2rej n TRP 43 Cb 0.00 -2.22 0.45 0.00 -2.01 0.00 0.00 31.31 27.52 2rej n TRP 43 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.69 177.83 2rej h THR 44 N 0.14 0.38 0.18 -0.99 2.02 -2.01 -3.02 112.91 109.62 2rej h THR 44 Ca -0.50 -1.05 -0.31 0.00 0.77 0.00 0.00 66.41 65.32 2rej h THR 44 Cb 1.33 1.79 0.02 0.00 -1.74 0.00 0.00 68.15 69.54 2rej h THR 44 CO 0.51 0.16 -1.45 -2.24 0.37 0.00 0.00 175.52 172.88 2rej h ASP 45 N 0.00 0.61 0.82 4.18 2.03 -1.97 -3.14 116.42 118.95 2rej h ASP 45 Ca -0.00 -0.71 -0.04 0.00 -0.73 0.00 0.00 57.03 55.55 2rej h ASP 45 Cb 0.77 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 39.07 2rej h ASP 45 CO 0.02 1.56 -0.20 -0.29 -1.03 0.00 0.00 179.24 179.31 2rej h ILE 46 N 0.11 0.53 -0.09 4.15 6.09 -1.96 -2.90 117.51 123.44 2rej h ILE 46 Ca -0.23 -0.99 -0.13 0.00 -1.37 0.00 0.00 64.86 62.14 2rej h ILE 46 Cb 2.08 1.68 -0.01 0.00 0.47 0.00 0.00 36.82 41.03 2rej h ILE 46 CO 0.22 0.19 -0.53 0.74 -3.07 0.00 0.00 178.15 175.71 2rej h THR 47 N 0.00 1.36 -0.04 2.19 2.02 -1.57 -2.78 112.91 114.08 2rej h THR 47 Ca -0.00 -1.81 -0.16 0.00 0.77 0.00 0.00 66.41 65.21 2rej h THR 47 Cb 0.66 1.88 0.01 0.00 -1.74 0.00 0.00 68.15 68.96 2rej h THR 47 CO 0.03 0.54 -0.59 0.00 0.37 0.00 0.00 175.52 175.87 2rej h ALA 48 N 1.25 0.13 -0.38 6.16 0.00 -1.46 -2.88 119.26 122.08 2rej h ALA 48 Ca 0.00 -0.55 -0.12 0.00 0.00 0.00 0.00 54.91 54.24 2rej h ALA 48 Cb 1.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2rej h ALA 48 CO 0.08 0.38 -0.25 1.79 0.00 0.00 0.00 179.25 181.26 2rej h THR 49 N 0.02 1.27 -0.26 0.00 1.35 -1.60 -3.22 112.91 110.49 2rej h THR 49 Ca -0.06 -1.38 -0.09 0.00 -0.55 0.00 0.00 66.41 64.33 2rej h THR 49 Cb 1.26 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 68.93 2rej h THR 49 CO 0.12 0.46 -0.18 0.74 -0.25 0.00 0.00 175.52 176.41 2rej h THR 50 N 0.67 1.31 0.00 6.82 2.02 -1.60 -3.12 112.91 119.01 2rej h THR 50 Ca 0.09 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 65.96 2rej h THR 50 Cb 0.77 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 2rej h THR 50 CO 0.06 0.41 0.00 0.00 0.37 0.00 0.00 175.52 176.36 2rej n ALA 51 N -2.45 1.44 0.02 6.16 0.00 -1.09 -3.07 120.51 121.53 2rej n ALA 51 Ca -0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.31 2rej n ALA 51 Cb 0.39 -1.16 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 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 0.41 -0.32 0.00 2.02 -1.55 -3.34 112.91 110.14 2rej h THR 52 Ca 0.00 -1.11 0.02 0.00 0.77 0.00 0.00 66.41 66.09 2rej h THR 52 Cb 0.17 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 2rej h THR 52 CO 0.00 0.13 0.21 0.00 0.37 0.00 0.00 175.52 176.23 2rej h ALA 53 N -0.76 1.87 -0.57 6.16 0.00 -1.65 -2.43 119.26 121.88 2rej h ALA 53 Ca -0.02 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2rej h ALA 53 Cb 0.34 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2rej h ALA 53 CO 0.03 0.09 0.31 1.15 0.00 0.00 0.00 179.25 180.84 2rej h THR 54 N 0.34 0.98 -0.06 0.00 2.02 -1.70 -3.06 112.91 111.43 2rej h THR 54 Ca 0.13 -0.21 -0.15 0.00 0.77 0.00 0.00 66.41 66.95 2rej h THR 54 Cb 0.08 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 2rej h THR 54 CO -0.03 0.11 -0.64 0.00 0.37 0.00 0.00 175.52 175.33 2rej h THR 55 N 0.60 1.40 0.10 3.16 1.03 -1.55 -2.74 112.91 114.92 2rej h THR 55 Ca 0.25 -2.07 -0.01 0.00 -0.01 0.00 0.00 66.41 64.58 2rej h THR 55 Cb 0.13 2.06 0.00 0.00 -1.07 0.00 0.00 68.15 69.27 2rej h THR 55 CO -0.15 0.61 -0.05 0.40 -0.01 0.00 0.00 175.52 176.32 2rej h ILE 56 N 0.16 1.02 0.00 0.00 2.04 -1.62 -3.26 117.51 115.86 2rej h ILE 56 Ca -0.01 -1.34 -0.01 0.00 1.00 0.00 0.00 64.86 64.50 2rej h ILE 56 Cb 1.16 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 39.00 2rej h ILE 56 CO 0.10 0.28 -0.06 0.25 0.00 0.00 0.00 178.15 178.72 2rej h LEU 57 N -0.85 0.00 -1.04 1.44 6.46 -1.59 -0.46 115.31 119.27 2rej h LEU 57 Ca -0.01 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 2rej h LEU 57 Cb 0.57 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 2rej h LEU 57 CO 0.02 0.06 0.30 -0.08 -0.62 0.00 0.00 178.44 178.13 2rej h GLU 58 N 0.00 0.99 0.00 1.25 4.81 -1.59 -2.74 114.58 117.30 2rej h GLU 58 Ca -0.00 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 2rej h GLU 58 Cb 0.11 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2rej h GLU 58 CO 0.01 0.78 -0.17 0.00 -0.73 0.00 0.00 179.01 178.90 2rej h ALA 59 N 1.36 0.96 -0.00 2.92 0.00 -1.12 -2.94 119.26 120.44 2rej h ALA 59 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2rej h ALA 59 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2rej h ALA 59 CO -0.03 0.21 -0.12 1.28 0.00 0.00 0.00 179.25 180.59 2rej n LEU 60 N -3.24 0.57 -0.06 0.00 4.77 -1.04 -4.89 117.00 113.10 2rej n LEU 60 Ca 0.01 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2rej n LEU 60 Cb 0.46 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2rej n LEU 60 CO 0.33 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 2rej n GLY 61 N 1.28 1.08 0.00 -0.72 0.00 -1.11 -3.25 105.19 102.48 2rej n GLY 61 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.45 -0.02 -4.19 1.61 4.01 -1.17 -4.86 117.16 112.10 2rej n TYR 62 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 2rej n TYR 62 Cb 0.07 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.00 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 0.88 1.10 0.02 -0.72 2.02 -1.25 -4.78 118.70 115.97 2rej s GLU 63 Ca 0.00 -1.56 0.00 0.00 0.02 0.00 0.00 54.97 53.44 2rej s GLU 63 Cb 0.00 0.18 -0.02 0.00 0.10 0.00 0.00 34.13 34.39 2rej s GLU 63 CO 0.00 -0.31 -0.04 0.99 0.02 0.00 0.00 175.26 175.92 2rej s THR 64 N -4.05 0.17 -0.16 3.63 2.01 -1.26 -3.39 115.64 112.59 2rej s THR 64 Ca 0.32 -0.94 -0.08 0.00 0.31 0.00 0.00 61.69 61.30 2rej s THR 64 Cb 0.07 -0.31 0.06 0.00 0.01 0.00 0.00 72.50 72.33 2rej s THR 64 CO 0.07 -0.49 0.37 -0.62 -0.69 0.00 0.00 174.62 173.26 2rej s ASP 65 N -1.48 -0.38 -0.14 3.53 2.15 -1.04 -4.97 116.67 114.33 2rej s ASP 65 Ca -0.15 0.81 0.01 0.00 0.43 0.00 0.00 52.55 53.65 2rej s ASP 65 Cb -0.10 0.75 0.02 0.00 -0.30 0.00 0.00 42.92 43.29 2rej s ASP 65 CO -0.01 -0.19 -0.17 -0.69 -0.17 0.00 0.00 175.17 173.94 2rej s VAL 66 N 1.57 1.71 -0.19 1.11 1.01 -1.26 -1.33 120.40 123.02 2rej s VAL 66 Ca -0.08 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 2rej s VAL 66 Cb -0.09 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 2rej s VAL 66 CO -0.12 0.48 -0.08 -0.54 0.00 0.00 0.00 175.10 174.85 2rej s LYS 67 N 1.22 3.34 -0.33 2.72 -0.14 -1.10 -4.99 119.74 120.47 2rej s LYS 67 Ca 0.00 -0.66 -0.24 0.00 -1.36 0.00 0.00 55.97 53.72 2rej s LYS 67 Cb -0.14 -2.87 0.00 0.00 -1.68 0.00 0.00 37.83 33.14 2rej s LYS 67 CO -0.07 -0.10 0.81 0.54 -0.76 0.00 0.00 175.35 175.77 2rej s VAL 68 N 1.17 4.75 0.29 3.17 0.11 -1.26 -2.90 120.40 125.74 2rej s VAL 68 Ca 0.02 1.13 0.02 0.00 -2.93 0.00 0.00 61.98 60.22 2rej s VAL 68 Cb -0.14 -4.19 -0.01 0.00 -1.53 0.00 0.00 36.38 30.51 2rej s VAL 68 CO -0.02 -0.33 0.35 0.18 -3.33 0.00 0.00 175.10 171.94 2rej n LEU 69 N 6.33 0.00 -5.01 2.54 4.77 -1.22 -5.00 117.00 119.41 2rej n LEU 69 Ca 0.04 -2.56 -0.21 0.00 -0.03 0.00 0.00 56.01 53.25 2rej n LEU 69 Cb 0.48 1.87 0.07 0.00 -2.33 0.00 0.00 43.42 43.51 2rej n LEU 69 CO 0.52 -0.52 0.41 -0.55 -1.33 0.00 0.00 177.39 175.92 2rej s SER 70 N -2.92 4.88 -0.03 -1.43 0.15 -1.26 -4.37 113.70 108.72 2rej s SER 70 Ca 0.29 -0.49 -0.20 0.00 0.70 0.00 0.00 55.95 56.25 2rej s SER 70 Cb 0.00 -0.10 -0.13 0.00 -1.71 0.00 0.00 66.02 64.07 2rej s SER 70 CO 0.21 -1.46 0.88 0.58 1.20 0.00 0.00 173.24 174.64 2rej h VAL 71 N -0.07 0.51 0.00 4.45 2.07 -1.91 -2.65 116.25 118.64 2rej h VAL 71 Ca -0.35 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 2rej h VAL 71 Cb 1.28 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 2rej h VAL 71 CO 0.43 0.12 -0.18 -0.65 0.02 0.00 0.00 177.57 177.30 2rej h PRO 72 N -0.95 0.00 0.00 1.57 0.11 -1.98 -2.94 132.00 127.81 2rej h PRO 72 Ca -0.04 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.98 2rej h PRO 72 Cb 0.50 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 2rej h PRO 72 CO 0.07 0.18 -0.42 0.28 -0.21 0.00 0.00 178.00 177.90 2rej h VAL 73 N 0.00 0.94 0.08 3.15 2.07 -1.97 -3.25 116.25 117.27 2rej h VAL 73 Ca -0.00 -1.68 -0.00 0.00 0.82 0.00 0.00 66.70 65.84 2rej h VAL 73 Cb 0.40 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 2rej h VAL 73 CO 0.02 0.41 -0.04 0.74 0.02 0.00 0.00 177.57 178.73 2rej h THR 74 N 0.00 1.12 0.00 2.57 2.02 -1.28 -2.78 112.91 114.56 2rej h THR 74 Ca -0.00 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.47 2rej h THR 74 Cb 0.98 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 2rej h THR 74 CO 0.05 0.17 0.00 -1.22 0.37 0.00 0.00 175.52 174.90 2rej n TYR 75 N -4.99 0.69 0.03 3.16 4.01 -1.24 -2.12 117.16 116.71 2rej n TYR 75 Ca -0.08 0.26 -0.14 0.00 -0.16 0.00 0.00 57.90 57.77 2rej n TYR 75 Cb 0.20 -0.92 -0.14 0.00 -0.31 0.00 0.00 39.34 38.17 2rej n TYR 75 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2rej h THR 76 N 0.00 1.06 -0.29 -0.72 2.02 -1.59 -3.36 112.91 110.03 2rej h THR 76 Ca 0.00 -2.78 -0.08 0.00 0.77 0.00 0.00 66.41 64.32 2rej h THR 76 Cb 0.41 2.65 -0.02 0.00 -1.74 0.00 0.00 68.15 69.45 2rej h THR 76 CO 0.00 0.76 -0.18 -1.28 0.37 0.00 0.00 175.52 175.19 2rej h SER 77 N 0.04 0.51 0.94 4.18 0.87 -1.13 -2.67 113.55 116.29 2rej h SER 77 Ca -0.25 -0.15 -0.07 0.00 -1.23 0.00 0.00 61.79 60.08 2rej h SER 77 Cb 1.99 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.81 2rej h SER 77 CO 0.13 0.70 -0.36 -0.07 -0.53 0.00 0.00 176.83 176.71 2rej h LEU 78 N 0.47 0.00 -0.07 2.23 3.38 -1.69 -2.49 115.31 117.13 2rej h LEU 78 Ca 0.08 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 2rej h LEU 78 Cb 0.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2rej h LEU 78 CO 0.04 0.36 -0.65 0.50 0.09 0.00 0.00 178.44 178.78 2rej h LYS 79 N 0.00 0.00 0.05 1.13 3.64 -1.63 -3.29 116.57 116.47 2rej h LYS 79 Ca -0.00 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.12 2rej h LYS 79 Cb 0.92 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 2rej h LYS 79 CO 0.05 0.65 -1.26 -0.91 -2.27 0.00 0.00 179.45 175.70 2rej h ASN 80 N 0.00 0.16 0.00 4.20 2.35 -1.47 -3.49 115.58 117.34 2rej h ASN 80 Ca -0.01 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 2rej h ASN 80 Cb 1.47 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.78 2rej h ASN 80 CO 0.08 1.16 0.00 0.29 -1.65 0.00 0.00 177.43 177.32 2rej n LYS 81 N -3.36 0.00 -0.01 0.81 5.02 -1.05 -5.05 118.16 114.52 2rej n LYS 81 Ca -0.07 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.29 2rej n LYS 81 Cb 0.99 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.85 2rej n LYS 81 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2rej n ASP 82 N 0.00 0.09 -4.28 4.39 8.00 -0.97 -5.00 116.55 118.79 2rej n ASP 82 Ca 0.00 0.04 -0.29 0.00 0.71 0.00 0.00 54.79 55.25 2rej n ASP 82 Cb 0.00 1.67 -0.07 0.00 -0.02 0.00 0.00 41.12 42.70 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 -3.34 0.69 0.00 0.53 -4.36 -1.26 -5.03 121.20 108.43 2rej s ILE 83 Ca -0.08 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.31 2rej s ILE 83 Cb 0.12 -2.20 0.00 0.00 1.25 0.00 0.00 42.46 41.63 2rej s ILE 83 CO 0.89 0.00 0.00 0.47 0.24 0.00 0.00 174.94 176.54 2rej n ASP 84 N -1.40 0.99 -3.91 4.36 8.00 -1.21 -4.85 116.55 118.54 2rej n ASP 84 Ca -0.11 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.26 2rej n ASP 84 Cb 0.65 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.62 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 -1.98 0.12 0.05 2.53 1.01 -1.11 -3.32 120.40 117.70 2rej s VAL 85 Ca 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.86 2rej s VAL 85 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.23 2rej s VAL 85 CO 0.00 -0.02 -0.11 0.12 0.00 0.00 0.00 175.10 175.09 2rej s PHE 86 N -0.18 0.97 -0.10 5.22 5.36 -1.20 -3.78 117.98 124.27 2rej s PHE 86 Ca -0.01 -0.41 0.02 0.00 -0.96 0.00 0.00 56.93 55.57 2rej s PHE 86 Cb -0.02 -0.57 -0.03 0.00 -0.34 0.00 0.00 43.02 42.07 2rej s PHE 86 CO -0.00 -0.00 0.09 -0.11 -1.46 0.00 0.00 175.22 173.74 2rej n LEU 87 N 1.65 0.10 -3.82 6.12 7.94 -1.26 -3.05 117.00 124.67 2rej n LEU 87 Ca -0.20 -0.47 -0.30 0.00 -1.11 0.00 0.00 56.01 53.93 2rej n LEU 87 Cb 0.55 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.36 2rej n LEU 87 CO 0.22 0.02 -0.23 -0.83 -1.11 0.00 0.00 177.39 175.47 2rej s GLY 88 N -1.28 1.97 -0.87 -3.96 0.00 -1.26 -4.72 107.32 97.21 2rej s GLY 88 Ca 0.01 -2.83 -0.00 0.00 0.00 0.00 0.00 44.72 41.90 2rej s GLY 88 CO 0.09 1.30 0.87 -2.01 0.00 0.00 0.00 173.10 173.35 2rej n ASN 89 N 3.46 4.41 -4.71 1.64 5.15 -1.19 -4.96 115.26 119.06 2rej n ASN 89 Ca 0.06 -3.24 -0.42 0.00 -0.60 0.00 0.00 54.58 50.38 2rej n ASN 89 Cb 0.34 -1.00 -0.03 0.00 -0.53 0.00 0.00 39.78 38.57 2rej n ASN 89 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 2rej s TRP 90 N -1.83 3.18 0.34 1.20 0.52 -1.26 -3.17 118.94 117.92 2rej s TRP 90 Ca 0.31 0.94 0.05 0.00 0.02 0.00 0.00 56.10 57.41 2rej s TRP 90 Cb -0.01 -3.67 -0.07 0.00 -1.15 0.00 0.00 33.47 28.58 2rej s TRP 90 CO -0.07 -2.36 0.02 -1.64 0.02 0.00 0.00 176.95 172.92 2rej s MET 91 N 1.33 1.72 -0.26 4.98 -1.94 -1.22 -3.05 119.30 120.86 2rej s MET 91 Ca 0.64 -1.94 0.03 0.00 -1.71 0.00 0.00 55.69 52.71 2rej s MET 91 Cb -0.36 -1.13 0.40 0.00 2.01 0.00 0.00 34.83 35.75 2rej s MET 91 CO 0.30 -0.11 1.52 -0.35 -0.01 0.00 0.00 175.02 176.37 2rej n PRO 92 N -0.74 1.83 0.03 2.03 -0.04 -1.26 -4.27 135.00 132.57 2rej n PRO 92 Ca -0.04 -1.77 0.12 0.00 -0.04 0.00 0.00 63.50 61.77 2rej n PRO 92 Cb 0.66 -1.71 0.19 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.42 0.17 0.26 0.52 -2.24 -1.26 -3.81 114.28 107.50 2rej n THR 93 Ca 0.34 -0.15 0.04 0.00 -2.27 0.00 0.00 64.05 62.01 2rej n THR 93 Cb 1.17 0.08 0.19 0.00 -2.10 0.00 0.00 70.33 69.67 2rej n THR 93 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2rej n MET 94 N -1.82 2.67 -0.12 -0.78 0.00 -1.17 -4.50 117.12 111.39 2rej n MET 94 Ca 0.04 -1.53 -0.12 0.00 0.00 0.00 0.00 57.70 56.09 2rej n MET 94 Cb 0.39 -1.72 -0.02 0.00 0.00 0.00 0.00 33.22 31.87 2rej n MET 94 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 2rej h GLU 95 N 2.08 0.79 -0.00 2.12 4.57 -1.87 -3.14 114.58 119.13 2rej h GLU 95 Ca 0.00 -0.35 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 2rej h GLU 95 Cb 1.04 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 2rej h GLU 95 CO 0.18 0.97 -0.13 0.00 -1.18 0.00 0.00 179.01 178.85 2rej n ALA 96 N -2.48 2.81 0.17 2.92 0.00 -1.26 -2.75 120.51 119.92 2rej n ALA 96 Ca -0.02 -0.28 0.12 0.00 0.00 0.00 0.00 53.44 53.25 2rej n ALA 96 Cb 0.42 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.58 2rej n ALA 96 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2rej h ASP 97 N 0.63 0.00 -0.00 0.00 3.32 -1.86 -3.40 116.42 115.11 2rej h ASP 97 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2rej h ASP 97 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2rej h ASP 97 CO 0.00 0.02 -0.08 0.00 -1.72 0.00 0.00 179.24 177.46 2rej n ILE 98 N -2.59 0.00 0.07 0.35 3.06 -1.21 -4.81 119.36 114.23 2rej n ILE 98 Ca 0.00 -0.46 -0.12 0.00 -2.50 0.00 0.00 62.75 59.68 2rej n ILE 98 Cb 0.53 1.00 -0.05 0.00 0.54 0.00 0.00 39.64 41.67 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 0.28 -0.20 -0.84 1.51 0.00 -1.74 -2.89 119.26 115.38 2rej h ALA 99 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2rej h ALA 99 Cb 0.05 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2rej h ALA 99 CO 0.00 -0.65 0.40 -1.35 0.00 0.00 0.00 179.25 177.65 2rej h PRO 100 N -0.26 1.22 0.00 0.00 0.11 -1.88 -2.90 132.00 128.28 2rej h PRO 100 Ca 0.03 -0.18 -0.05 0.00 0.11 0.00 0.00 66.00 65.91 2rej h PRO 100 Cb 0.30 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 2rej h PRO 100 CO -0.11 0.94 -0.26 1.88 -0.21 0.00 0.00 178.00 180.24 2rej h TYR 101 N 1.20 0.00 0.00 0.65 0.05 -1.89 -2.64 116.97 114.34 2rej h TYR 101 Ca 0.29 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.98 2rej h TYR 101 Cb 0.13 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 2rej h TYR 101 CO 0.02 0.26 -0.42 -0.09 -1.05 0.00 0.00 178.16 176.87 2rej h ARG 102 N 0.00 0.00 0.21 4.88 2.43 -1.31 -1.72 114.38 118.87 2rej h ARG 102 Ca -0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.84 2rej h ARG 102 Cb 0.74 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.32 2rej h ARG 102 CO 0.03 0.42 -1.51 1.49 -1.51 0.00 0.00 179.97 178.90 2rej h GLU 103 N 0.00 0.44 -0.47 0.20 4.81 -1.37 -3.33 114.58 114.86 2rej h GLU 103 Ca -0.00 -0.75 0.00 0.00 -0.13 0.00 0.00 59.36 58.48 2rej h GLU 103 Cb 0.95 0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2rej h GLU 103 CO 0.06 1.35 0.00 -0.40 -0.73 0.00 0.00 179.01 179.28 2rej n ASP 104 N -3.63 2.74 -2.75 1.04 5.75 -1.21 -4.95 116.55 113.53 2rej n ASP 104 Ca -0.17 -1.97 -0.12 0.00 -0.01 0.00 0.00 54.79 52.52 2rej n ASP 104 Cb 1.08 -0.31 0.06 0.00 -1.03 0.00 0.00 41.12 40.92 2rej n ASP 104 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2rej n LYS 105 N 1.00 -4.52 -0.09 0.11 5.02 -1.24 -4.99 118.16 113.44 2rej n LYS 105 Ca 0.18 0.61 -0.13 0.00 -2.02 0.00 0.00 58.31 56.94 2rej n LYS 105 Cb 0.44 -4.90 -0.14 0.00 -0.02 0.00 0.00 35.03 30.41 2rej n LYS 105 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2rej n SER 106 N -2.55 0.93 -4.13 4.39 2.88 -0.65 -4.98 113.62 109.50 2rej n SER 106 Ca -0.20 0.01 -0.12 0.00 -1.33 0.00 0.00 58.87 57.23 2rej n SER 106 Cb 0.62 0.27 -0.11 0.00 -0.75 0.00 0.00 64.21 64.24 2rej n SER 106 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2rej s VAL 107 N -2.52 0.69 0.08 2.46 -7.23 -1.23 -4.06 120.40 108.59 2rej s VAL 107 Ca -0.19 -1.58 0.08 0.00 -1.81 0.00 0.00 61.98 58.47 2rej s VAL 107 Cb 0.07 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.73 2rej s VAL 107 CO 0.75 -0.65 -0.20 -1.61 -0.31 0.00 0.00 175.10 173.08 2rej s GLU 108 N -2.86 1.17 -0.04 4.82 2.02 -0.98 -4.84 118.70 117.98 2rej s GLU 108 Ca 0.03 -1.07 0.01 0.00 0.02 0.00 0.00 54.97 53.96 2rej s GLU 108 Cb -0.01 -1.37 -0.03 0.00 0.10 0.00 0.00 34.13 32.82 2rej s GLU 108 CO -0.02 0.33 -0.04 0.99 0.02 0.00 0.00 175.26 176.54 2rej s THR 109 N -1.06 3.91 -0.14 3.63 2.01 -1.26 -1.91 115.64 120.83 2rej s THR 109 Ca 0.06 -0.52 -0.12 0.00 0.31 0.00 0.00 61.69 61.42 2rej s THR 109 Cb -0.10 -2.66 -0.06 0.00 0.01 0.00 0.00 72.50 69.69 2rej s THR 109 CO 0.03 0.51 -0.26 0.52 -0.69 0.00 0.00 174.62 174.74 2rej n VAL 110 N 1.89 1.32 -3.83 3.82 0.31 -0.09 -4.99 118.33 116.75 2rej n VAL 110 Ca -0.17 0.04 -0.03 0.00 -0.01 0.00 0.00 64.34 64.16 2rej n VAL 110 Cb 0.53 -2.01 0.02 0.00 -0.91 0.00 0.00 33.84 31.47 2rej n VAL 110 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2rej n ARG 111 N -4.10 0.62 -4.29 5.55 0.63 -1.26 -5.02 116.66 108.80 2rej n ARG 111 Ca -0.21 -1.39 -0.34 0.00 -0.92 0.00 0.00 57.85 54.99 2rej n ARG 111 Cb 0.52 1.85 -0.11 0.00 0.45 0.00 0.00 32.46 35.18 2rej n ARG 111 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2rej s GLU 112 N -2.05 3.61 -0.00 -0.14 2.12 -1.26 -2.02 118.70 118.95 2rej s GLU 112 Ca 0.20 -0.45 0.10 0.00 0.36 0.00 0.00 54.97 55.18 2rej s GLU 112 Cb -0.03 -2.97 -0.13 0.00 0.26 0.00 0.00 34.13 31.27 2rej s GLU 112 CO 0.06 0.35 0.37 0.27 -0.54 0.00 0.00 175.26 175.77 2rej n ASN 113 N 3.22 1.14 -3.61 -1.70 6.94 -0.61 -5.00 115.26 115.64 2rej n ASN 113 Ca -0.17 -0.51 -0.14 0.00 -0.02 0.00 0.00 54.58 53.73 2rej n ASN 113 Cb 0.53 1.15 -0.06 0.00 -2.36 0.00 0.00 39.78 39.04 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 -2.87 0.05 0.02 -4.53 0.20 -1.25 -3.03 118.68 107.26 2rej s LEU 114 Ca 0.01 0.22 -0.03 0.00 0.69 0.00 0.00 54.13 55.02 2rej s LEU 114 Cb 0.07 2.01 -0.02 0.00 -0.43 0.00 0.00 46.19 47.82 2rej s LEU 114 CO 0.42 -0.66 0.03 0.00 -0.29 0.00 0.00 176.35 175.86 2rej s ALA 115 N -2.11 0.02 0.00 5.97 0.00 -1.26 -3.60 121.76 120.78 2rej s ALA 115 Ca -0.07 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.35 2rej s ALA 115 Cb -0.01 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.28 2rej s ALA 115 CO 0.01 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2rej n GLY 116 N 1.25 0.03 3.27 0.00 0.00 -1.25 -4.94 105.19 103.55 2rej n GLY 116 Ca -0.22 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.25 2rej n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rej s ALA 117 N -2.15 1.75 0.07 4.61 0.00 -1.25 -4.90 121.76 119.89 2rej s ALA 117 Ca 0.00 -2.00 -0.20 0.00 0.00 0.00 0.00 51.96 49.76 2rej s ALA 117 Cb 0.00 1.46 0.05 0.00 0.00 0.00 0.00 23.12 24.62 2rej s ALA 117 CO 0.00 -0.65 0.47 0.15 0.00 0.00 0.00 175.76 175.74 2rej s LYS 118 N -3.58 1.02 -0.30 0.00 1.02 -1.25 -3.26 119.74 113.40 2rej s LYS 118 Ca 0.40 -0.37 -0.06 0.00 0.02 0.00 0.00 55.97 55.96 2rej s LYS 118 Cb 0.03 0.46 0.18 0.00 -0.52 0.00 0.00 37.83 37.98 2rej s LYS 118 CO 0.25 -0.38 0.75 -0.47 -0.92 0.00 0.00 175.35 174.58 2rej s TYR 119 N -2.79 -1.23 0.00 3.18 5.04 -1.20 -2.33 117.35 118.02 2rej s TYR 119 Ca -0.03 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 56.07 2rej s TYR 119 Cb -0.00 0.50 0.00 0.00 0.35 0.00 0.00 41.96 42.80 2rej s TYR 119 CO -0.05 -0.66 0.00 -2.37 -1.34 0.00 0.00 175.55 171.13 2rej n THR 120 N 5.40 0.00 -3.59 4.34 5.66 -0.66 -4.82 114.28 120.61 2rej n THR 120 Ca -0.05 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.66 2rej n THR 120 Cb 0.52 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.26 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 4.20 0.00 1.09 1.43 -1.26 -0.39 118.68 123.74 2rej s LEU 121 Ca 0.00 0.56 -0.05 0.00 -1.03 0.00 0.00 54.13 53.61 2rej s LEU 121 Cb 0.00 -3.33 0.02 0.00 0.03 0.00 0.00 46.19 42.91 2rej s LEU 121 CO 0.00 -0.05 0.51 0.00 0.23 0.00 0.00 176.35 177.04 2rej n ALA 122 N -0.46 -0.68 -3.88 4.21 0.00 -1.01 -3.36 120.51 115.32 2rej n ALA 122 Ca -0.03 -1.33 -0.14 0.00 0.00 0.00 0.00 53.44 51.93 2rej n ALA 122 Cb 0.53 1.07 -0.04 0.00 0.00 0.00 0.00 19.45 21.01 2rej n ALA 122 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2rej n THR 123 N -0.50 0.00 -3.48 0.00 5.66 -0.96 -3.19 114.28 111.81 2rej n THR 123 Ca -0.02 -1.63 0.00 0.00 -3.05 0.00 0.00 64.05 59.35 2rej n THR 123 Cb 0.52 0.88 0.00 0.00 -1.55 0.00 0.00 70.33 70.18 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 -1.89 1.22 -0.03 1.09 6.94 -1.26 -3.24 115.26 118.09 2rej n ASN 124 Ca 0.03 -0.87 -0.12 0.00 -0.02 0.00 0.00 54.58 53.60 2rej n ASN 124 Cb 0.45 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.80 2rej n ASN 124 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2rej h ALA 125 N 0.73 0.13 0.00 -2.53 0.00 -1.97 -2.50 119.26 113.11 2rej h ALA 125 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2rej h ALA 125 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2rej h ALA 125 CO 0.00 -0.16 0.00 0.87 0.00 0.00 0.00 179.25 179.96 2rej h LYS 126 N -0.14 0.00 0.00 0.00 1.79 -1.97 -1.70 116.57 114.54 2rej h LYS 126 Ca 0.02 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.39 2rej h LYS 126 Cb 0.41 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 2rej h LYS 126 CO 0.01 0.00 -0.62 0.78 -1.08 0.00 0.00 179.45 178.53 2rej h GLY 127 N 1.89 0.00 1.85 3.86 0.00 -1.88 -3.16 103.07 105.63 2rej h GLY 127 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 2rej h GLY 127 CO 0.00 0.00 -0.85 0.00 0.00 0.00 0.00 176.54 175.69 2rej h ALA 128 N 1.52 0.57 -0.04 3.60 0.00 -0.87 -2.33 119.26 121.71 2rej h ALA 128 Ca -0.03 -0.73 -0.17 0.00 0.00 0.00 0.00 54.91 53.99 2rej h ALA 128 Cb 1.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2rej h ALA 128 CO 0.06 0.94 -0.72 0.93 0.00 0.00 0.00 179.25 180.47 2rej h GLU 129 N 0.07 0.22 0.00 0.00 5.08 -1.54 -3.34 114.58 115.07 2rej h GLU 129 Ca -0.03 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 2rej h GLU 129 Cb 1.48 0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.77 2rej h GLU 129 CO 0.12 0.84 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.62 2rej h LEU 130 N 0.15 0.25 0.00 1.33 4.07 -1.59 -3.48 115.31 116.03 2rej h LEU 130 Ca -0.02 -0.78 0.00 0.00 0.08 0.00 0.00 57.88 57.15 2rej h LEU 130 Cb 1.27 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.93 2rej h LEU 130 CO 0.11 1.00 0.00 0.61 -1.08 0.00 0.00 178.44 179.08 2rej n GLY 131 N 1.08 0.57 3.49 0.83 0.00 -1.15 -5.10 105.19 104.90 2rej n GLY 131 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.57 4.22 -0.03 -0.61 -1.09 -0.89 -4.80 121.20 117.43 2rej s ILE 132 Ca 0.00 -0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.34 2rej s ILE 132 Cb 0.00 -4.70 -0.02 0.00 -1.58 0.00 0.00 42.46 36.16 2rej s ILE 132 CO 0.00 -1.47 -0.02 0.29 -1.23 0.00 0.00 174.94 172.51 2rej n LYS 133 N 7.98 0.30 -4.55 2.79 4.76 -1.26 -4.69 118.16 123.49 2rej n LYS 133 Ca -0.01 0.02 -0.25 0.00 -2.87 0.00 0.00 58.31 55.19 2rej n LYS 133 Cb 0.46 -1.06 -0.10 0.00 -1.84 0.00 0.00 35.03 32.49 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 -4.23 3.16 0.64 4.39 2.15 -1.26 -3.95 116.67 117.57 2rej s ASP 134 Ca -0.04 -1.41 0.41 0.00 0.43 0.00 0.00 52.55 51.94 2rej s ASP 134 Cb 0.01 -0.14 2.24 0.00 -0.30 0.00 0.00 42.92 44.73 2rej s ASP 134 CO 0.07 -0.58 2.32 0.15 -0.17 0.00 0.00 175.17 176.96 2rej h PHE 135 N 1.89 0.00 -0.58 -5.34 3.57 -1.66 -2.98 116.94 111.85 2rej h PHE 135 Ca -0.42 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2rej h PHE 135 Cb 1.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.99 2rej h PHE 135 CO 0.76 0.00 0.00 1.63 -2.23 0.00 0.00 178.31 178.48 2rej n LYS 136 N -3.21 2.85 -0.01 1.11 5.02 -1.26 -4.38 118.16 118.29 2rej n LYS 136 Ca -0.03 -2.45 0.10 0.00 -2.02 0.00 0.00 58.31 53.92 2rej n LYS 136 Cb 0.10 -1.48 -0.15 0.00 -0.02 0.00 0.00 35.03 33.48 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 1.15 0.41 -0.25 4.39 8.00 -1.13 -4.58 116.55 124.55 2rej n ASP 137 Ca 0.20 -0.38 -0.06 0.00 0.71 0.00 0.00 54.79 55.26 2rej n ASP 137 Cb 0.57 1.61 0.07 0.00 -0.02 0.00 0.00 41.12 43.36 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 0.00 1.26 -0.28 0.53 2.04 -1.76 -3.15 117.51 116.14 2rej h ILE 138 Ca 0.00 -0.91 0.08 0.00 1.00 0.00 0.00 64.86 65.03 2rej h ILE 138 Cb 0.80 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2rej h ILE 138 CO 0.00 0.36 0.29 0.00 0.00 0.00 0.00 178.15 178.79 2rej h ALA 139 N 1.15 1.98 -0.65 1.87 0.00 -1.83 -2.16 119.26 119.62 2rej h ALA 139 Ca 0.23 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.88 2rej h ALA 139 Cb 0.32 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.98 2rej h ALA 139 CO -0.01 -0.43 0.24 0.00 0.00 0.00 0.00 179.25 179.06 2rej n ALA 140 N -2.37 4.55 -2.45 0.00 0.00 -1.19 -4.23 120.51 114.81 2rej n ALA 140 Ca 0.04 -2.66 0.04 0.00 0.00 0.00 0.00 53.44 50.86 2rej n ALA 140 Cb 0.43 -1.11 0.02 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.66 0.00 -0.26 0.00 -0.00 -0.81 -4.92 115.22 108.57 2rej n HIS 141 Ca 0.41 -0.49 -0.05 0.00 -0.00 0.00 0.00 57.72 57.59 2rej n HIS 141 Cb 1.31 -0.15 0.06 0.00 -0.00 0.00 0.00 29.99 31.21 2rej n HIS 141 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 2rej h LYS 142 N 0.94 0.94 0.00 -0.41 3.64 -1.74 -3.10 116.57 116.85 2rej h LYS 142 Ca -0.21 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2rej h LYS 142 Cb 1.85 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.47 2rej h LYS 142 CO 0.09 0.64 0.00 -0.25 -2.27 0.00 0.00 179.45 177.66 2rej n ASP 143 N -4.57 0.00 -0.00 4.20 9.92 -1.26 -0.53 116.55 124.31 2rej n ASP 143 Ca 0.06 0.36 0.08 0.00 -0.53 0.00 0.00 54.79 54.77 2rej n ASP 143 Cb 0.03 -0.45 -0.12 0.00 -0.64 0.00 0.00 41.12 39.95 2rej n ASP 143 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2rej n GLU 144 N -1.45 0.97 -0.00 -1.24 1.02 -1.19 -4.47 120.64 114.28 2rej n GLU 144 Ca 0.07 -0.08 0.08 0.00 -0.02 0.00 0.00 57.16 57.20 2rej n GLU 144 Cb 0.25 -1.36 -0.10 0.00 -0.02 0.00 0.00 31.44 30.21 2rej n GLU 144 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2rej n LEU 145 N -1.76 0.38 -0.04 -4.62 0.00 -0.89 -4.84 117.00 105.23 2rej n LEU 145 Ca -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 56.01 55.74 2rej n LEU 145 Cb 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 43.78 2rej n LEU 145 CO 0.35 0.10 -0.01 0.47 0.00 0.00 0.00 177.39 178.30 2rej n ASP 146 N -1.69 -4.25 -2.70 1.96 8.00 0.32 -3.84 116.55 114.35 2rej n ASP 146 Ca 0.00 0.01 -0.11 0.00 0.71 0.00 0.00 54.79 55.41 2rej n ASP 146 Cb 0.32 -1.80 0.05 0.00 -0.02 0.00 0.00 41.12 39.67 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 -1.35 -0.40 2.74 0.44 0.00 -1.18 -4.96 105.19 100.48 2rej n GLY 147 Ca -0.01 0.20 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.24 -0.05 -0.06 1.61 1.02 -1.25 -2.35 119.74 114.42 2rej s LYS 148 Ca 0.23 0.25 0.03 0.00 0.02 0.00 0.00 55.97 56.50 2rej s LYS 148 Cb -0.03 -0.33 -0.02 0.00 -0.52 0.00 0.00 37.83 36.93 2rej s LYS 148 CO 0.51 -0.22 -0.16 0.42 -0.92 0.00 0.00 175.35 174.99 2rej s ILE 149 N 1.41 2.93 -0.23 2.17 1.09 -1.02 -4.81 121.20 122.73 2rej s ILE 149 Ca -0.05 -0.76 -0.07 0.00 -1.10 0.00 0.00 60.65 58.67 2rej s ILE 149 Cb -0.13 -2.15 -0.03 0.00 -1.06 0.00 0.00 42.46 39.10 2rej s ILE 149 CO -0.03 0.58 0.05 -0.31 -0.10 0.00 0.00 174.94 175.13 2rej s TYR 150 N -0.49 3.09 0.00 3.97 2.02 -1.23 -1.98 117.35 122.72 2rej s TYR 150 Ca 0.06 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.37 2rej s TYR 150 Cb -0.12 -2.19 0.00 0.00 -0.40 0.00 0.00 41.96 39.26 2rej s TYR 150 CO 0.02 -0.29 0.00 0.41 -1.57 0.00 0.00 175.55 174.12 2rej n GLY 151 N 4.63 4.09 0.00 0.71 0.00 -0.97 -4.07 105.19 109.58 2rej n GLY 151 Ca -0.16 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2rej n GLY 151 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2rej n ILE 152 N 0.00 0.00 -2.08 -0.61 -5.35 -1.26 -4.48 119.36 105.58 2rej n ILE 152 Ca 0.00 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.12 2rej n ILE 152 Cb 0.00 0.00 0.02 0.00 -1.74 0.00 0.00 39.64 37.92 2rej n ILE 152 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 2rej s GLU 153 N 1.77 3.12 0.25 6.28 1.03 -1.17 -3.13 118.70 126.84 2rej s GLU 153 Ca 0.00 1.79 -0.30 0.00 0.03 0.00 0.00 54.97 56.49 2rej s GLU 153 Cb 0.00 -1.99 -0.10 0.00 -0.80 0.00 0.00 34.13 31.24 2rej s GLU 153 CO 0.00 -1.08 1.49 -2.14 -1.33 0.00 0.00 175.26 172.20 2rej s PRO 154 N -3.26 4.23 0.00 -4.83 0.02 -1.26 -3.45 135.00 126.44 2rej s PRO 154 Ca 0.75 2.37 0.00 0.00 0.02 0.00 0.00 61.00 64.15 2rej s PRO 154 Cb -0.29 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.13 2rej s PRO 154 CO 0.32 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 176.91 2rej n GLY 155 N 2.42 0.77 3.58 0.52 0.00 -1.26 -4.91 105.19 106.30 2rej n GLY 155 Ca 0.08 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.63 4.51 0.37 1.61 3.84 -1.22 -4.42 114.94 116.99 2rej s ASN 156 Ca 0.00 -0.19 0.13 0.00 0.21 0.00 0.00 52.86 53.01 2rej s ASN 156 Cb 0.00 -1.01 0.71 0.00 -0.55 0.00 0.00 41.25 40.40 2rej s ASN 156 CO 0.00 0.27 1.81 -2.24 -2.79 0.00 0.00 177.10 174.15 2rej h ASP 157 N 4.47 0.00 -0.08 -4.21 2.03 -1.93 -1.82 116.42 114.88 2rej h ASP 157 Ca -0.48 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 55.74 2rej h ASP 157 Cb 1.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 2rej h ASP 157 CO 0.53 0.39 -0.26 1.23 -1.03 0.00 0.00 179.24 180.10 2rej h GLY 158 N 1.20 0.35 0.97 7.15 0.00 -1.95 -3.28 103.07 107.51 2rej h GLY 158 Ca -0.00 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 46.89 2rej h GLY 158 CO 0.05 0.41 0.63 3.43 0.00 0.00 0.00 176.54 181.06 2rej h ASN 159 N -0.16 1.08 -0.62 0.19 -0.26 -1.91 -3.15 115.58 110.75 2rej h ASN 159 Ca -0.01 -0.02 0.11 0.00 -0.56 0.00 0.00 56.30 55.82 2rej h ASN 159 Cb 0.88 -0.26 -0.04 0.00 -1.06 0.00 0.00 38.32 37.84 2rej h ASN 159 CO 0.06 0.77 0.42 -0.09 -1.06 0.00 0.00 177.43 177.52 2rej h ARG 160 N 1.27 0.38 0.00 0.81 2.43 -1.39 -3.02 114.38 114.86 2rej h ARG 160 Ca 0.36 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.35 2rej h ARG 160 Cb -0.11 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 2rej h ARG 160 CO -0.09 0.25 -0.76 -0.07 -1.51 0.00 0.00 179.97 177.79 2rej h LEU 161 N 0.39 0.00 0.13 3.80 3.38 -1.63 -3.21 115.31 118.17 2rej h LEU 161 Ca 0.29 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.05 2rej h LEU 161 Cb 0.61 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.38 2rej h LEU 161 CO -0.08 0.75 -0.97 0.40 0.09 0.00 0.00 178.44 178.63 2rej h ILE 162 N 0.00 1.37 -0.11 1.22 2.04 -1.67 -3.24 117.51 117.13 2rej h ILE 162 Ca -0.01 -2.49 0.03 0.00 1.00 0.00 0.00 64.86 63.39 2rej h ILE 162 Cb 1.58 3.05 -0.00 0.00 -0.74 0.00 0.00 36.82 40.71 2rej h ILE 162 CO 0.10 0.70 0.14 0.40 0.00 0.00 0.00 178.15 179.49 2rej h ILE 163 N -0.39 0.40 -0.38 -0.67 2.04 -1.67 0.25 117.51 117.11 2rej h ILE 163 Ca -0.19 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.51 2rej h ILE 163 Cb 1.65 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 2rej h ILE 163 CO 0.11 0.00 -0.41 -0.78 0.00 0.00 0.00 178.15 177.08 2rej h ASP 164 N 0.00 1.01 0.37 1.72 1.82 -1.61 -3.35 116.42 116.38 2rej h ASP 164 Ca 0.05 -0.47 -0.02 0.00 -0.39 0.00 0.00 57.03 56.20 2rej h ASP 164 Cb 0.34 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.07 2rej h ASP 164 CO -0.00 1.28 -0.18 0.24 -1.61 0.00 0.00 179.24 178.97 2rej h MET 165 N 0.76 -0.47 0.00 0.28 2.86 -0.52 -3.03 114.93 114.81 2rej h MET 165 Ca 0.06 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2rej h MET 165 Cb 1.01 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.77 2rej h MET 165 CO 0.10 -0.20 0.00 1.33 1.06 0.00 0.00 176.91 179.20 2rej n VAL 166 N -5.22 1.57 1.01 -2.22 0.24 -1.14 -1.99 118.33 110.58 2rej n VAL 166 Ca -0.10 0.45 0.11 0.00 -2.04 0.00 0.00 64.34 62.75 2rej n VAL 166 Cb 0.26 -1.38 -0.03 0.00 -1.47 0.00 0.00 33.84 31.22 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 -1.62 0.38 0.00 7.34 2.13 -1.15 -4.25 120.64 123.47 2rej n GLU 167 Ca 0.01 -0.31 0.02 0.00 0.66 0.00 0.00 57.16 57.54 2rej n GLU 167 Cb 0.06 -1.49 -0.02 0.00 0.27 0.00 0.00 31.44 30.25 2rej n GLU 167 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2rej n LYS 168 N -1.04 5.59 -2.42 5.31 3.00 -0.84 -5.02 118.16 122.73 2rej n LYS 168 Ca 0.06 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.31 58.34 2rej n LYS 168 Cb 0.37 -0.70 0.01 0.00 0.00 0.00 0.00 35.03 34.71 2rej n LYS 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2rej n GLY 169 N 1.09 0.60 3.69 3.14 0.00 -1.11 -5.02 105.19 107.57 2rej n GLY 169 Ca 0.01 -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 -2.70 4.67 -1.51 2.61 2.01 -1.18 -3.73 115.64 115.81 2rej s THR 170 Ca 0.04 1.94 -0.05 0.00 0.31 0.00 0.00 61.69 63.94 2rej s THR 170 Cb -0.02 -4.25 0.02 0.00 0.01 0.00 0.00 72.50 68.26 2rej s THR 170 CO 0.05 0.02 0.52 0.49 -0.69 0.00 0.00 174.62 175.01 2rej n PHE 171 N 4.94 -1.84 -3.71 4.92 3.72 -1.26 -2.92 117.46 121.30 2rej n PHE 171 Ca 0.09 0.45 -0.24 0.00 -0.05 0.00 0.00 57.45 57.70 2rej n PHE 171 Cb 0.48 -4.12 0.05 0.00 -0.94 0.00 0.00 39.48 34.95 2rej n PHE 171 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2rej n ASP 172 N -2.42 -3.52 -1.37 4.37 8.00 -1.24 -4.67 116.55 115.69 2rej n ASP 172 Ca -0.11 -0.72 0.10 0.00 0.71 0.00 0.00 54.79 54.77 2rej n ASP 172 Cb 0.61 -4.36 0.32 0.00 -0.02 0.00 0.00 41.12 37.67 2rej n ASP 172 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2rej n LEU 173 N -4.54 4.25 -4.59 0.64 4.32 -1.15 -4.78 117.00 111.17 2rej n LEU 173 Ca -0.13 -2.27 -0.42 0.00 -0.02 0.00 0.00 56.01 53.18 2rej n LEU 173 Cb 0.60 -0.51 -0.03 0.00 -1.62 0.00 0.00 43.42 41.87 2rej n LEU 173 CO 0.69 0.86 1.44 -0.75 -1.22 0.00 0.00 177.39 178.41 2rej s LYS 174 N -1.50 3.27 0.00 3.23 2.20 -1.26 -3.25 119.74 122.43 2rej s LYS 174 Ca 0.47 1.05 0.00 0.00 -0.36 0.00 0.00 55.97 57.14 2rej s LYS 174 Cb 0.28 -4.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.42 2rej s LYS 174 CO 0.26 -1.95 0.00 0.41 -0.36 0.00 0.00 175.35 173.72 2rej n GLY 175 N 5.37 0.01 3.94 5.54 0.00 -1.26 -5.13 105.19 113.65 2rej n GLY 175 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.97 3.01 0.05 1.61 0.40 -1.20 -4.99 117.98 115.88 2rej s PHE 176 Ca 0.00 0.35 0.07 0.00 -0.60 0.00 0.00 56.93 56.75 2rej s PHE 176 Cb 0.00 -2.88 -0.03 0.00 0.51 0.00 0.00 43.02 40.63 2rej s PHE 176 CO 0.00 -1.02 -0.20 -2.00 0.70 0.00 0.00 175.22 172.70 2rej s GLU 177 N -4.98 1.34 -0.20 0.44 2.12 -0.99 -5.04 118.70 111.39 2rej s GLU 177 Ca 0.57 -0.95 -0.05 0.00 0.36 0.00 0.00 54.97 54.90 2rej s GLU 177 Cb -0.10 -1.46 -0.02 0.00 0.26 0.00 0.00 34.13 32.80 2rej s GLU 177 CO 0.42 0.37 0.00 0.08 -0.54 0.00 0.00 175.26 175.60 2rej s VAL 178 N -0.83 3.96 -0.26 3.70 1.01 -1.26 -2.43 120.40 124.29 2rej s VAL 178 Ca 0.07 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 2rej s VAL 178 Cb -0.09 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 2rej s VAL 178 CO 0.02 0.43 0.07 -0.69 0.00 0.00 0.00 175.10 174.93 2rej s VAL 179 N 1.01 4.23 -0.03 2.92 1.01 -0.84 -5.00 120.40 123.69 2rej s VAL 179 Ca 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 2rej s VAL 179 Cb -0.14 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 2rej s VAL 179 CO 0.02 0.28 0.08 -1.61 0.00 0.00 0.00 175.10 173.86 2rej s GLU 180 N 1.59 3.12 0.00 2.72 2.02 -1.26 -2.29 118.70 124.59 2rej s GLU 180 Ca 0.06 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.63 2rej s GLU 180 Cb -0.16 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.17 2rej s GLU 180 CO 0.03 0.68 0.00 0.45 0.02 0.00 0.00 175.26 176.44 2rej n SER 181 N 1.44 0.00 -2.92 -0.19 2.88 -1.18 -5.02 113.62 108.63 2rej n SER 181 Ca -0.15 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.28 2rej n SER 181 Cb 0.53 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.00 2rej n SER 181 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2rej s SER 182 N 2.00 0.36 0.09 -3.46 0.15 -1.26 -3.07 113.70 108.51 2rej s SER 182 Ca 0.00 -1.32 -0.30 0.00 0.70 0.00 0.00 55.95 55.04 2rej s SER 182 Cb 0.00 0.81 -0.15 0.00 -1.71 0.00 0.00 66.02 64.97 2rej s SER 182 CO 0.00 -1.60 1.65 -0.08 1.20 0.00 0.00 173.24 174.40 2rej h GLU 183 N 2.02 -0.62 0.00 5.44 4.81 -1.94 -1.32 114.58 122.96 2rej h GLU 183 Ca -0.32 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2rej h GLU 183 Cb 1.25 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.77 2rej h GLU 183 CO 0.41 -0.41 0.00 -0.56 -0.73 0.00 0.00 179.01 177.72 2rej h GLN 184 N -0.64 0.00 -0.20 1.92 3.07 -1.99 -2.94 115.11 114.32 2rej h GLN 184 Ca -0.04 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.50 2rej h GLN 184 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.10 2rej h GLN 184 CO 0.03 0.00 -0.67 0.78 0.09 0.00 0.00 178.83 179.06 2rej h GLY 185 N 2.83 0.86 0.78 0.06 0.00 -1.88 -3.19 103.07 102.51 2rej h GLY 185 Ca 0.00 -1.11 -0.01 0.00 0.00 0.00 0.00 47.33 46.22 2rej h GLY 185 CO 0.00 0.99 -0.07 1.98 0.00 0.00 0.00 176.54 179.44 2rej h MET 186 N 0.56 -0.20 0.00 4.80 1.85 -1.08 -3.29 114.93 117.58 2rej h MET 186 Ca -0.02 0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.06 2rej h MET 186 Cb 1.28 0.04 -0.00 0.00 0.43 0.00 0.00 31.60 33.35 2rej h MET 186 CO 0.14 0.05 -0.09 -0.07 -0.40 0.00 0.00 176.91 176.54 2rej h LEU 187 N -0.43 0.00 -0.66 3.39 3.38 -1.63 -2.49 115.31 116.87 2rej h LEU 187 Ca -0.02 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2rej h LEU 187 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2rej h LEU 187 CO 0.03 0.09 -0.16 0.00 0.09 0.00 0.00 178.44 178.49 2rej h ALA 188 N 1.91 0.86 0.00 1.53 0.00 -1.62 -3.10 119.26 118.84 2rej h ALA 188 Ca -0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2rej h ALA 188 Cb 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2rej h ALA 188 CO 0.01 0.64 -0.25 1.96 0.00 0.00 0.00 179.25 181.61 2rej h GLN 189 N 0.77 0.00 -0.06 0.00 1.08 -1.55 -2.37 115.11 112.98 2rej h GLN 189 Ca 0.12 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.19 2rej h GLN 189 Cb 0.69 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 2rej h GLN 189 CO 0.05 0.25 -0.53 0.28 -0.95 0.00 0.00 178.83 177.93 2rej h VAL 190 N 0.00 1.37 0.00 -0.54 2.07 -1.59 -2.98 116.25 114.58 2rej h VAL 190 Ca -0.00 -1.81 -0.09 0.00 0.82 0.00 0.00 66.70 65.63 2rej h VAL 190 Cb 0.53 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 2rej h VAL 190 CO 0.03 0.53 -0.41 0.00 0.02 0.00 0.00 177.57 177.74 2rej h ALA 191 N 1.34 0.90 -0.02 1.67 0.00 -1.45 -2.96 119.26 118.74 2rej h ALA 191 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2rej h ALA 191 Cb 0.97 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2rej h ALA 191 CO 0.08 0.52 0.00 0.54 0.00 0.00 0.00 179.25 180.38 2rej n ARG 192 N -3.44 1.12 -0.04 0.00 1.74 -1.10 -3.51 116.66 111.44 2rej n ARG 192 Ca 0.00 -0.18 0.01 0.00 -0.77 0.00 0.00 57.85 56.91 2rej n ARG 192 Cb 0.57 -1.39 -0.12 0.00 -1.02 0.00 0.00 32.46 30.50 2rej n ARG 192 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2rej n ALA 193 N -0.68 2.14 1.60 7.54 0.00 -1.12 -4.32 120.51 125.67 2rej n ALA 193 Ca 0.18 -0.64 0.15 0.00 0.00 0.00 0.00 53.44 53.13 2rej n ALA 193 Cb 0.13 -0.31 0.78 0.00 0.00 0.00 0.00 19.45 20.05 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 -2.27 0.69 -0.42 0.00 -0.58 -1.23 -1.08 120.64 115.74 2rej n GLU 194 Ca -0.13 -0.07 0.07 0.00 -0.42 0.00 0.00 57.16 56.61 2rej n GLU 194 Cb 0.67 -1.50 0.23 0.00 -0.57 0.00 0.00 31.44 30.27 2rej n GLU 194 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2rej n LYS 195 N -1.09 2.45 0.00 3.49 4.81 -1.25 -4.61 118.16 121.95 2rej n LYS 195 Ca 0.17 -2.84 0.00 0.00 -0.87 0.00 0.00 58.31 54.77 2rej n LYS 195 Cb 0.21 -1.78 0.00 0.00 0.02 0.00 0.00 35.03 33.49 2rej n LYS 195 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2rej n SER 196 N -0.78 0.00 -1.55 3.14 2.88 -1.22 -5.07 113.62 111.02 2rej n SER 196 Ca 0.22 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.76 2rej n SER 196 Cb 0.86 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.32 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 -0.31 0.69 3.26 0.46 0.00 -0.24 -5.09 105.19 103.96 2rej n GLY 197 Ca 0.00 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.87 3.03 0.28 1.61 1.01 -1.10 -5.07 116.67 113.57 2rej s ASP 198 Ca 0.01 -0.50 -0.29 0.00 0.71 0.00 0.00 52.55 52.47 2rej s ASP 198 Cb -0.00 -0.81 -0.10 0.00 1.01 0.00 0.00 42.92 43.02 2rej s ASP 198 CO 0.02 0.24 1.30 -2.16 0.21 0.00 0.00 175.17 174.78 2rej s PRO 199 N -0.17 4.39 0.13 8.23 0.04 -1.26 -4.86 135.00 141.50 2rej s PRO 199 Ca -0.03 2.13 -0.02 0.00 0.04 0.00 0.00 61.00 63.12 2rej s PRO 199 Cb -0.14 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 2rej s PRO 199 CO 0.03 -0.18 0.07 -1.50 0.04 0.00 0.00 177.00 175.47 2rej s ILE 200 N -0.68 0.10 -0.15 0.56 2.07 -1.26 -4.88 121.20 116.95 2rej s ILE 200 Ca 0.52 -1.88 -0.12 0.00 -1.41 0.00 0.00 60.65 57.76 2rej s ILE 200 Cb -0.38 -2.04 0.04 0.00 0.13 0.00 0.00 42.46 40.22 2rej s ILE 200 CO 0.46 -0.45 0.39 0.54 -1.91 0.00 0.00 174.94 173.98 2rej s VAL 201 N -4.04 -0.01 0.07 4.00 0.11 -1.26 -4.28 120.40 114.99 2rej s VAL 201 Ca 0.24 0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.29 2rej s VAL 201 Cb 0.07 -0.56 0.01 0.00 -1.53 0.00 0.00 36.38 34.37 2rej s VAL 201 CO 0.02 0.01 0.17 2.22 -3.33 0.00 0.00 175.10 174.19 2rej n PHE 202 N 3.34 -1.20 -3.71 1.54 -1.74 -1.19 -3.49 117.46 111.01 2rej n PHE 202 Ca -0.17 -0.36 -0.37 0.00 -0.56 0.00 0.00 57.45 56.00 2rej n PHE 202 Cb 0.56 0.18 -0.07 0.00 1.52 0.00 0.00 39.48 41.68 2rej n PHE 202 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2rej s LEU 203 N 0.00 4.34 0.08 5.98 1.43 -1.26 -2.41 118.68 126.84 2rej s LEU 203 Ca 0.03 0.51 0.06 0.00 -1.03 0.00 0.00 54.13 53.71 2rej s LEU 203 Cb -0.01 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 2rej s LEU 203 CO 0.02 0.28 -0.16 -0.83 0.23 0.00 0.00 176.35 175.89 2rej s GLY 204 N -0.42 0.97 0.22 -3.19 0.00 0.48 -4.93 107.32 100.45 2rej s GLY 204 Ca 0.15 -1.07 -0.12 0.00 0.00 0.00 0.00 44.72 43.68 2rej s GLY 204 CO 0.04 -1.09 0.42 0.66 0.00 0.00 0.00 173.10 173.13 2rej s TRP 205 N -1.23 0.34 0.02 1.90 -2.14 -1.26 -1.65 118.94 114.92 2rej s TRP 205 Ca 0.01 -0.69 0.03 0.00 2.66 0.00 0.00 56.10 58.10 2rej s TRP 205 Cb -0.10 0.12 -0.02 0.00 -3.10 0.00 0.00 33.47 30.38 2rej s TRP 205 CO 0.03 -0.90 -0.10 -1.21 -2.66 0.00 0.00 176.95 172.12 2rej s GLU 206 N -3.99 0.69 0.34 3.25 0.41 -0.98 -4.37 118.70 114.05 2rej s GLU 206 Ca 0.20 -0.55 -0.07 0.00 -0.41 0.00 0.00 54.97 54.14 2rej s GLU 206 Cb 0.01 -0.63 -0.06 0.00 -1.78 0.00 0.00 34.13 31.67 2rej s GLU 206 CO 0.05 0.16 0.65 -1.25 -0.49 0.00 0.00 175.26 174.38 2rej s PRO 207 N -0.83 3.69 -0.26 0.39 0.04 -1.26 -3.81 135.00 132.96 2rej s PRO 207 Ca -0.01 0.20 -0.26 0.00 0.04 0.00 0.00 61.00 60.98 2rej s PRO 207 Cb -0.06 -2.54 0.12 0.00 0.04 0.00 0.00 34.50 32.06 2rej s PRO 207 CO 0.00 0.10 1.00 -1.58 0.04 0.00 0.00 177.00 176.57 2rej s HIS 208 N -2.21 -0.48 -0.02 0.56 2.46 -1.26 -5.03 115.29 109.31 2rej s HIS 208 Ca 0.47 1.15 0.16 0.00 0.47 0.00 0.00 55.06 57.31 2rej s HIS 208 Cb -0.11 0.37 0.90 0.00 -0.13 0.00 0.00 32.58 33.61 2rej s HIS 208 CO 0.31 -0.26 1.44 -1.35 -2.47 0.00 0.00 174.74 172.41 2rej h PRO 209 N 4.05 0.00 -0.84 2.88 0.11 -1.95 -3.09 132.00 133.16 2rej h PRO 209 Ca -0.27 0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.02 2rej h PRO 209 Cb 1.17 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.12 2rej h PRO 209 CO 0.13 0.00 -0.17 -0.12 -0.21 0.00 0.00 178.00 177.63 2rej n MET 210 N -2.15 -0.07 0.05 1.05 1.56 -1.26 -2.02 117.12 114.28 2rej n MET 210 Ca -0.01 1.30 0.11 0.00 -0.27 0.00 0.00 57.70 58.84 2rej n MET 210 Cb 0.24 -1.97 0.46 0.00 2.15 0.00 0.00 33.22 34.10 2rej n MET 210 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2rej n ASN 211 N -5.34 0.31 0.00 6.12 3.02 -1.17 -2.78 115.26 115.43 2rej n ASN 211 Ca 0.15 0.55 0.10 0.00 -0.03 0.00 0.00 54.58 55.35 2rej n ASN 211 Cb 0.46 -0.63 -0.09 0.00 -0.61 0.00 0.00 39.78 38.91 2rej n ASN 211 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rej n ALA 212 N -1.62 4.14 -0.09 5.41 0.00 -0.85 -4.47 120.51 123.04 2rej n ALA 212 Ca 0.05 -0.55 -0.13 0.00 0.00 0.00 0.00 53.44 52.81 2rej n ALA 212 Cb 0.29 -0.81 -0.15 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.71 0.79 -4.44 0.00 4.13 -1.12 -5.03 115.26 107.89 2rej n ASN 213 Ca 0.02 0.05 -0.25 0.00 1.68 0.00 0.00 54.58 56.08 2rej n ASN 213 Cb 0.39 0.34 -0.10 0.00 -1.54 0.00 0.00 39.78 38.88 2rej n ASN 213 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2rej s PHE 214 N -2.52 1.99 -0.34 3.10 0.08 -1.13 -5.13 117.98 114.03 2rej s PHE 214 Ca -0.16 -0.99 0.03 0.00 0.12 0.00 0.00 56.93 55.93 2rej s PHE 214 Cb 0.07 -1.37 0.10 0.00 -0.57 0.00 0.00 43.02 41.25 2rej s PHE 214 CO 0.77 0.03 0.06 0.15 -0.10 0.00 0.00 175.22 176.13 2rej s LYS 215 N -3.82 1.55 0.33 0.44 1.02 -1.26 -4.75 119.74 113.25 2rej s LYS 215 Ca 0.29 -1.86 0.08 0.00 0.02 0.00 0.00 55.97 54.50 2rej s LYS 215 Cb 0.07 -3.24 -0.03 0.00 -0.52 0.00 0.00 37.83 34.11 2rej s LYS 215 CO 0.14 -0.94 0.23 -0.51 -0.92 0.00 0.00 175.35 173.34 2rej s LEU 216 N 0.93 3.47 -0.07 3.17 1.43 -1.26 -4.44 118.68 121.90 2rej s LEU 216 Ca 0.10 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 2rej s LEU 216 Cb -0.19 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.02 2rej s LEU 216 CO -0.08 -0.32 -0.05 -0.89 0.23 0.00 0.00 176.35 175.25 2rej s THR 217 N -2.35 0.68 0.17 5.49 2.01 -1.20 -5.04 115.64 115.39 2rej s THR 217 Ca 0.39 -0.12 -0.19 0.00 0.31 0.00 0.00 61.69 62.08 2rej s THR 217 Cb -0.05 -0.73 -0.08 0.00 0.01 0.00 0.00 72.50 71.66 2rej s THR 217 CO 0.25 0.29 0.66 -0.31 -0.69 0.00 0.00 174.62 174.81 2rej s TYR 218 N 1.44 3.70 0.49 4.92 1.51 -1.26 -2.26 117.35 125.88 2rej s TYR 218 Ca -0.02 1.32 -0.08 0.00 -1.01 0.00 0.00 57.07 57.27 2rej s TYR 218 Cb -0.13 -2.55 -0.05 0.00 -0.11 0.00 0.00 41.96 39.12 2rej s TYR 218 CO -0.03 0.43 0.84 -0.51 -1.11 0.00 0.00 175.55 175.17 2rej s LEU 219 N -1.70 3.60 0.36 -1.29 1.43 -1.21 -5.00 118.68 114.86 2rej s LEU 219 Ca 0.38 1.12 0.09 0.00 -1.03 0.00 0.00 54.13 54.68 2rej s LEU 219 Cb -0.18 -4.07 -0.06 0.00 0.03 0.00 0.00 46.19 41.91 2rej s LEU 219 CO 0.21 -0.59 -0.00 -0.94 0.23 0.00 0.00 176.35 175.26 2rej s SER 220 N -3.81 4.02 0.00 2.29 1.04 -1.25 -4.86 113.70 111.12 2rej s SER 220 Ca 0.51 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.80 2rej s SER 220 Cb -0.10 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.57 2rej s SER 220 CO 0.42 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.95 2rej n GLY 221 N -0.94 1.99 2.34 7.32 0.00 -1.26 -1.58 105.19 113.07 2rej n GLY 221 Ca -0.04 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 2rej n GLY 221 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rej n GLY 222 N 0.00 3.71 0.16 -0.02 0.00 -1.26 -4.53 105.19 103.25 2rej n GLY 222 Ca 0.00 -1.26 -0.19 0.00 0.00 0.00 0.00 46.02 44.57 2rej n GLY 222 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2rej h ASP 223 N 5.06 0.72 -0.41 1.61 3.32 -1.95 -3.30 116.42 121.47 2rej h ASP 223 Ca 0.66 -0.66 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2rej h ASP 223 Cb 0.42 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2rej h ASP 223 CO 1.45 1.48 0.02 0.47 -1.72 0.00 0.00 179.24 180.93 2rej n ASP 224 N -3.74 4.29 0.10 6.45 9.92 -1.26 -3.33 116.55 128.99 2rej n ASP 224 Ca -0.11 -2.67 0.00 0.00 -0.53 0.00 0.00 54.79 51.48 2rej n ASP 224 Cb 0.95 -0.64 0.00 0.00 -0.64 0.00 0.00 41.12 40.80 2rej n ASP 224 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2rej n VAL 225 N 0.40 0.48 1.04 2.53 0.31 -1.26 -4.90 118.33 116.92 2rej n VAL 225 Ca 0.20 0.16 0.11 0.00 -0.01 0.00 0.00 64.34 64.80 2rej n VAL 225 Cb 0.93 -0.91 0.06 0.00 -0.91 0.00 0.00 33.84 33.01 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 -3.42 0.00 0.00 3.52 3.01 -1.24 -5.06 117.46 114.27 2rej n PHE 226 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2rej n PHE 226 Cb 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 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 1.45 2.47 3.10 1.37 0.00 -1.21 -4.72 105.19 107.67 2rej n GLY 227 Ca 0.07 -1.79 -0.22 0.00 0.00 0.00 0.00 46.02 44.07 2rej n GLY 227 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rej n PRO 228 N 1.29 -0.78 -1.32 1.61 -0.04 -1.24 -3.27 135.00 131.26 2rej n PRO 228 Ca 0.00 -1.79 -0.11 0.00 -0.04 0.00 0.00 63.50 61.56 2rej n PRO 228 Cb 0.00 -0.96 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 2rej n PRO 228 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2rej n ASN 229 N -3.50 -4.86 -0.00 3.54 2.85 -1.26 -1.02 115.26 111.01 2rej n ASN 229 Ca 0.13 0.27 -0.00 0.00 -0.11 0.00 0.00 54.58 54.87 2rej n ASN 229 Cb 0.47 -3.33 -0.00 0.00 1.24 0.00 0.00 39.78 38.16 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 -2.50 0.00 -1.44 1.20 4.01 -1.26 -4.62 117.16 112.55 2rej n TYR 230 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 2rej n TYR 230 Cb 0.45 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 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 -2.95 -0.47 3.84 2.72 0.00 -0.19 -4.46 105.19 103.69 2rej n GLY 231 Ca -0.00 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.41 2.23 0.04 -0.02 0.00 -1.25 -3.26 107.32 103.66 2rej s GLY 232 Ca 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 44.72 44.88 2rej s GLY 232 CO 0.00 0.44 0.04 0.00 0.00 0.00 0.00 173.10 173.58 2rej s ALA 233 N -2.28 0.15 -0.00 3.20 0.00 -1.20 -4.75 121.76 116.88 2rej s ALA 233 Ca 0.58 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2rej s ALA 233 Cb -0.10 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.29 2rej s ALA 233 CO 0.21 -0.33 -0.01 0.95 0.00 0.00 0.00 175.76 176.59 2rej s THR 234 N -3.01 0.06 0.05 0.00 -4.23 -1.26 -3.81 115.64 103.44 2rej s THR 234 Ca -0.02 -0.03 0.03 0.00 -1.18 0.00 0.00 61.69 60.50 2rej s THR 234 Cb 0.01 -0.06 -0.04 0.00 1.34 0.00 0.00 72.50 73.76 2rej s THR 234 CO -0.07 0.02 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.34 2rej s VAL 235 N 0.01 4.05 0.37 2.29 1.01 -1.24 -3.40 120.40 123.50 2rej s VAL 235 Ca 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.20 2rej s VAL 235 Cb -0.01 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 2rej s VAL 235 CO -0.00 0.23 0.17 -1.00 0.00 0.00 0.00 175.10 174.50 2rej s HIS 236 N -1.21 1.74 -0.04 5.22 3.76 -1.19 -1.57 115.29 122.01 2rej s HIS 236 Ca 0.23 -1.38 0.03 0.00 -0.15 0.00 0.00 55.06 53.79 2rej s HIS 236 Cb -0.12 -1.00 0.00 0.00 1.11 0.00 0.00 32.58 32.57 2rej s HIS 236 CO 0.15 -0.47 -0.14 0.99 -0.85 0.00 0.00 174.74 174.42 2rej s THR 237 N -3.34 1.18 0.18 1.30 2.01 -0.86 -3.19 115.64 112.91 2rej s THR 237 Ca 0.30 -0.57 0.10 0.00 0.31 0.00 0.00 61.69 61.82 2rej s THR 237 Cb 0.03 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 2rej s THR 237 CO 0.18 0.35 -0.20 0.20 -0.69 0.00 0.00 174.62 174.46 2rej s ASN 238 N 0.14 2.94 0.07 3.53 0.01 -1.17 -0.92 114.94 119.54 2rej s ASN 238 Ca -0.04 -0.87 -0.08 0.00 -0.71 0.00 0.00 52.86 51.16 2rej s ASN 238 Cb -0.11 -0.19 -0.01 0.00 0.41 0.00 0.00 41.25 41.35 2rej s ASN 238 CO 0.02 0.01 0.16 0.68 -1.51 0.00 0.00 177.10 176.46 2rej s VAL 239 N -1.96 0.15 0.75 1.60 -7.23 -0.80 -3.22 120.40 109.68 2rej s VAL 239 Ca 0.18 -1.20 -0.11 0.00 -1.81 0.00 0.00 61.98 59.04 2rej s VAL 239 Cb -0.06 -1.26 0.04 0.00 0.56 0.00 0.00 36.38 35.66 2rej s VAL 239 CO 0.08 -0.66 1.09 0.00 -0.31 0.00 0.00 175.10 175.29 2rej s ARG 240 N -3.58 2.42 0.07 4.82 1.70 -1.21 -2.32 118.95 120.85 2rej s ARG 240 Ca 0.03 1.15 -0.31 0.00 -0.47 0.00 0.00 55.73 56.14 2rej s ARG 240 Cb 0.04 -1.92 -0.09 0.00 -0.57 0.00 0.00 34.95 32.42 2rej s ARG 240 CO -0.09 -1.52 1.70 0.00 -1.08 0.00 0.00 175.30 174.31 2rej s ALA 241 N -2.87 3.69 0.00 7.88 0.00 -1.26 -3.22 121.76 125.98 2rej s ALA 241 Ca 0.61 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.81 2rej s ALA 241 Cb -0.17 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.23 2rej s ALA 241 CO 0.54 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 175.54 2rej n GLY 242 N 4.08 0.73 0.23 0.00 0.00 -1.26 -4.96 105.19 104.01 2rej n GLY 242 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.94 -3.07 116.97 116.77 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 0.17 0.00 0.00 -1.64 0.00 0.00 178.16 176.69 2rej h THR 244 N 0.00 0.00 -0.00 1.81 1.03 -1.88 -2.74 112.91 111.12 2rej h THR 244 Ca -0.00 -0.29 0.00 0.00 -0.01 0.00 0.00 66.41 66.11 2rej h THR 244 Cb 0.31 1.09 0.00 0.00 -1.07 0.00 0.00 68.15 68.48 2rej h THR 244 CO 0.02 0.00 -0.25 0.35 -0.01 0.00 0.00 175.52 175.63 2rej n THR 245 N -2.49 0.00 -0.06 0.00 -2.24 -1.16 -4.51 114.28 103.81 2rej n THR 245 Ca 0.01 -0.38 -0.21 0.00 -2.27 0.00 0.00 64.05 61.21 2rej n THR 245 Cb 0.24 1.08 -0.13 0.00 -2.10 0.00 0.00 70.33 69.42 2rej n THR 245 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2rej n GLU 246 N -0.52 0.69 -3.67 -0.78 2.13 -1.06 -4.71 120.64 112.72 2rej n GLU 246 Ca 0.03 0.26 -0.28 0.00 0.66 0.00 0.00 57.16 57.83 2rej n GLU 246 Cb 0.18 -1.64 -0.12 0.00 0.27 0.00 0.00 31.44 30.13 2rej n GLU 246 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2rej h PRO 248 N 6.05 0.25 -0.30 0.00 0.11 -1.83 -2.97 132.00 133.31 2rej h PRO 248 Ca 0.12 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.04 2rej h PRO 248 Cb 0.87 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 2rej h PRO 248 CO 0.51 0.29 -0.41 -0.97 -0.21 0.00 0.00 178.00 177.21 2rej h ASN 249 N 0.16 0.79 1.15 -2.05 -1.24 -1.95 -2.79 115.58 109.64 2rej h ASN 249 Ca 0.06 -0.36 0.00 0.00 0.71 0.00 0.00 56.30 56.71 2rej h ASN 249 Cb 0.12 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 38.95 2rej h ASN 249 CO -0.01 1.09 0.00 1.62 -1.29 0.00 0.00 177.43 178.85 2rej h VAL 250 N 0.60 0.00 -0.47 2.57 3.04 -1.99 -2.08 116.25 117.92 2rej h VAL 250 Ca 0.05 -0.55 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 2rej h VAL 250 Cb 0.96 1.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.75 2rej h VAL 250 CO 0.09 0.00 0.00 -0.90 -1.01 0.00 0.00 177.57 175.75 2rej n ASP 251 N -2.94 4.61 -0.11 3.17 5.68 -1.06 -4.17 116.55 121.73 2rej n ASP 251 Ca 0.02 -2.67 -0.12 0.00 -0.50 0.00 0.00 54.79 51.52 2rej n ASP 251 Cb 0.34 -0.62 -0.15 0.00 -1.14 0.00 0.00 41.12 39.54 2rej n ASP 251 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 2rej n LYS 252 N 0.57 0.69 0.19 0.11 3.00 -0.78 -4.30 118.16 117.63 2rej n LYS 252 Ca 0.22 0.04 0.06 0.00 -0.00 0.00 0.00 58.31 58.62 2rej n LYS 252 Cb 0.96 -1.52 0.31 0.00 0.00 0.00 0.00 35.03 34.78 2rej n LYS 252 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2rej h LEU 253 N 0.00 0.00 -1.59 3.14 6.46 -1.72 -3.23 115.31 118.36 2rej h LEU 253 Ca -0.56 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.18 2rej h LEU 253 Cb 2.14 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 42.07 2rej h LEU 253 CO -0.00 0.37 -0.10 -0.07 -0.62 0.00 0.00 178.44 178.02 2rej h LEU 254 N 0.00 0.00 -1.37 2.25 3.38 -1.76 -2.32 115.31 115.49 2rej h LEU 254 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2rej h LEU 254 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2rej h LEU 254 CO 0.05 0.10 0.00 0.00 0.09 0.00 0.00 178.44 178.67 2rej n GLN 255 N -3.30 1.93 -0.05 1.13 6.02 -1.22 -4.26 117.38 117.64 2rej n GLN 255 Ca -0.00 -1.23 -0.06 0.00 -0.01 0.00 0.00 57.00 55.69 2rej n GLN 255 Cb 0.31 -1.35 -0.05 0.00 1.02 0.00 0.00 30.24 30.17 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 0.44 3.25 -4.68 1.08 4.13 -0.87 -5.05 115.26 113.56 2rej n ASN 256 Ca 0.11 -0.04 -0.42 0.00 1.68 0.00 0.00 54.58 55.91 2rej n ASN 256 Cb 0.34 -0.05 -0.03 0.00 -1.54 0.00 0.00 39.78 38.51 2rej n ASN 256 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2rej s LEU 257 N -5.43 4.34 0.29 3.41 1.43 -1.24 -4.91 118.68 116.57 2rej s LEU 257 Ca -0.12 2.32 0.07 0.00 -1.03 0.00 0.00 54.13 55.37 2rej s LEU 257 Cb 0.03 -3.55 -0.06 0.00 0.03 0.00 0.00 46.19 42.64 2rej s LEU 257 CO 0.23 -0.86 -0.05 -0.44 0.23 0.00 0.00 176.35 175.46 2rej s SER 258 N 2.56 2.82 0.09 2.29 0.01 -1.26 -4.90 113.70 115.31 2rej s SER 258 Ca 0.71 -1.20 0.01 0.00 1.31 0.00 0.00 55.95 56.78 2rej s SER 258 Cb -0.36 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.65 2rej s SER 258 CO 0.30 -0.35 -0.06 -0.36 0.41 0.00 0.00 173.24 173.18 2rej s PHE 259 N -3.00 0.83 0.13 2.43 0.08 -1.17 -5.11 117.98 112.17 2rej s PHE 259 Ca 0.30 -0.95 0.08 0.00 0.12 0.00 0.00 56.93 56.48 2rej s PHE 259 Cb 0.04 -0.49 -0.04 0.00 -0.57 0.00 0.00 43.02 41.96 2rej s PHE 259 CO 0.12 -0.20 -0.19 0.45 -0.10 0.00 0.00 175.22 175.31 2rej s SER 260 N -3.02 2.54 0.27 1.36 0.15 -1.26 -4.79 113.70 108.95 2rej s SER 260 Ca 0.11 -0.77 -0.03 0.00 0.70 0.00 0.00 55.95 55.96 2rej s SER 260 Cb 0.06 -0.14 0.36 0.00 -1.71 0.00 0.00 66.02 64.58 2rej s SER 260 CO -0.06 -0.00 1.87 -0.07 1.20 0.00 0.00 173.24 176.18 2rej h LEU 261 N 3.68 0.92 -0.19 3.45 4.07 -1.97 -2.81 115.31 122.47 2rej h LEU 261 Ca -0.44 -0.11 -0.12 0.00 0.08 0.00 0.00 57.88 57.30 2rej h LEU 261 Cb 1.19 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.70 2rej h LEU 261 CO 0.45 0.79 -0.35 -0.61 -1.08 0.00 0.00 178.44 177.64 2rej h GLN 262 N 1.01 0.57 -0.04 1.13 4.15 -1.99 -3.12 115.11 116.82 2rej h GLN 262 Ca 0.25 -0.36 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 2rej h GLN 262 Cb 0.12 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 2rej h GLN 262 CO -0.03 0.97 0.02 1.98 -1.93 0.00 0.00 178.83 179.84 2rej h MET 263 N 0.23 0.05 -0.69 1.69 4.05 -1.98 -2.52 114.93 115.76 2rej h MET 263 Ca 0.01 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.44 2rej h MET 263 Cb 0.94 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.70 2rej h MET 263 CO 0.08 0.14 0.46 0.93 0.23 0.00 0.00 176.91 178.74 2rej h GLU 264 N -0.05 0.88 0.00 0.39 5.08 -1.60 -2.16 114.58 117.14 2rej h GLU 264 Ca 0.01 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 2rej h GLU 264 Cb 0.10 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2rej h GLU 264 CO -0.00 0.58 -0.24 -0.97 -1.00 0.00 0.00 179.01 177.38 2rej h ASN 265 N 0.91 0.00 -0.05 1.42 -0.73 -1.47 -3.14 115.58 112.51 2rej h ASN 265 Ca 0.26 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.41 2rej h ASN 265 Cb -0.05 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.53 2rej h ASN 265 CO -0.06 0.24 -0.05 -0.33 -0.37 0.00 0.00 177.43 176.85 2rej h GLU 266 N 0.00 0.12 0.00 6.67 5.08 -0.93 -3.25 114.58 122.27 2rej h GLU 266 Ca -0.00 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 2rej h GLU 266 Cb 1.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 2rej h GLU 266 CO 0.03 0.58 -0.54 0.82 -1.00 0.00 0.00 179.01 178.90 2rej h ILE 267 N -0.32 1.12 -0.75 3.13 2.04 -1.66 -3.24 117.51 117.82 2rej h ILE 267 Ca 0.01 -2.03 0.01 0.00 1.00 0.00 0.00 64.86 63.84 2rej h ILE 267 Cb 0.55 2.18 -0.04 0.00 -0.74 0.00 0.00 36.82 38.78 2rej h ILE 267 CO 0.01 0.52 0.49 -0.03 0.00 0.00 0.00 178.15 179.15 2rej h MET 268 N 0.00 1.00 -0.04 2.37 4.05 -1.60 -2.79 114.93 117.92 2rej h MET 268 Ca -0.01 -0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.25 2rej h MET 268 Cb 1.14 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.71 2rej h MET 268 CO 0.07 0.67 -0.42 0.78 0.23 0.00 0.00 176.91 178.24 2rej h GLY 269 N 1.03 0.10 2.00 1.39 0.00 -1.59 -3.14 103.07 102.86 2rej h GLY 269 Ca 0.28 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 2rej h GLY 269 CO -0.06 0.08 -0.21 0.50 0.00 0.00 0.00 176.54 176.85 2rej h LYS 270 N 0.08 0.00 0.00 4.80 1.57 -1.64 -2.22 116.57 119.15 2rej h LYS 270 Ca 0.00 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.62 2rej h LYS 270 Cb 0.78 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 2rej h LYS 270 CO 0.06 0.21 -0.94 0.82 -0.57 0.00 0.00 179.45 179.03 2rej h ILE 271 N 0.00 1.01 0.00 1.86 2.04 -1.64 -2.89 117.51 117.89 2rej h ILE 271 Ca -0.00 -2.11 -0.16 0.00 1.00 0.00 0.00 64.86 63.58 2rej h ILE 271 Cb 0.40 2.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 2rej h ILE 271 CO 0.03 0.34 -0.78 -0.07 0.00 0.00 0.00 178.15 177.67 2rej h LEU 272 N -1.00 0.00 0.06 1.44 3.38 -1.65 -2.75 115.31 114.79 2rej h LEU 272 Ca -0.25 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.39 2rej h LEU 272 Cb 1.17 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 2rej h LEU 272 CO -0.15 0.78 -1.87 0.59 0.09 0.00 0.00 178.44 177.88 2rej n ASN 273 N -3.55 1.45 0.00 -0.43 3.02 -0.84 -4.63 115.26 110.28 2rej n ASN 273 Ca -0.00 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 2rej n ASN 273 Cb 0.77 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 2rej n ASN 273 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2rej n ASP 274 N -3.24 0.26 -1.82 6.41 8.00 -1.22 -5.06 116.55 119.87 2rej n ASP 274 Ca -0.25 -0.59 -0.09 0.00 0.71 0.00 0.00 54.79 54.58 2rej n ASP 274 Cb 1.05 0.46 0.03 0.00 -0.02 0.00 0.00 41.12 42.64 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 0.46 0.28 3.83 0.44 0.00 -1.04 -5.01 105.19 104.15 2rej n GLY 275 Ca 0.00 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 2rej n GLY 275 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rej s GLU 276 N -5.23 3.96 0.15 1.61 2.12 -1.10 -5.02 118.70 115.18 2rej s GLU 276 Ca 0.17 0.44 -0.31 0.00 0.36 0.00 0.00 54.97 55.62 2rej s GLU 276 Cb -0.07 -3.23 -0.11 0.00 0.26 0.00 0.00 34.13 30.98 2rej s GLU 276 CO 0.30 0.66 1.78 0.34 -0.54 0.00 0.00 175.26 177.80 2rej s ASP 277 N -1.00 6.42 0.34 -1.70 2.15 -1.26 -4.55 116.67 117.07 2rej s ASP 277 Ca 0.24 2.78 0.10 0.00 0.43 0.00 0.00 52.55 56.10 2rej s ASP 277 Cb -0.17 -2.58 0.85 0.00 -0.30 0.00 0.00 42.92 40.72 2rej s ASP 277 CO 0.14 -0.98 1.80 -0.65 -0.17 0.00 0.00 175.17 175.30 2rej h PRO 278 N 7.93 0.64 0.00 4.34 0.11 -1.99 -1.55 132.00 141.49 2rej h PRO 278 Ca -0.45 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 2rej h PRO 278 Cb 1.21 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2rej h PRO 278 CO 0.95 0.42 -0.33 1.49 -0.21 0.00 0.00 178.00 180.32 2rej h GLU 279 N 0.66 0.00 0.02 1.05 4.81 -1.93 -3.22 114.58 115.97 2rej h GLU 279 Ca 0.55 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.56 2rej h GLU 279 Cb 1.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 2rej h GLU 279 CO -0.32 0.33 -1.09 -0.22 -0.73 0.00 0.00 179.01 176.98 2rej h LYS 280 N 0.00 0.03 0.00 1.92 3.64 -1.67 -3.28 116.57 117.22 2rej h LYS 280 Ca -0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2rej h LYS 280 Cb 1.13 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2rej h LYS 280 CO 0.04 0.99 -0.20 0.00 -2.27 0.00 0.00 179.45 178.01 2rej n ALA 281 N -2.39 2.79 0.02 5.00 0.00 -1.13 -3.54 120.51 121.26 2rej n ALA 281 Ca -0.02 -0.19 -0.19 0.00 0.00 0.00 0.00 53.44 53.03 2rej n ALA 281 Cb 0.96 -1.33 -0.09 0.00 0.00 0.00 0.00 19.45 18.98 2rej n ALA 281 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rej h ALA 282 N 2.97 0.18 -0.11 0.00 0.00 -1.61 -3.18 119.26 117.51 2rej h ALA 282 Ca 0.00 -0.66 -0.23 0.00 0.00 0.00 0.00 54.91 54.02 2rej h ALA 282 Cb 0.52 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.35 2rej h ALA 282 CO 0.00 0.66 -0.85 0.00 0.00 0.00 0.00 179.25 179.06 2rej h ALA 283 N 0.44 0.28 -0.85 0.00 0.00 -1.71 -3.15 119.26 114.27 2rej h ALA 283 Ca -0.10 -0.63 0.04 0.00 0.00 0.00 0.00 54.91 54.22 2rej h ALA 283 Cb 1.58 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 2rej h ALA 283 CO 0.19 0.69 0.56 0.00 0.00 0.00 0.00 179.25 180.69 2rej h ALA 284 N 0.54 1.50 -0.05 0.00 0.00 -1.65 0.15 119.26 119.75 2rej h ALA 284 Ca -0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2rej h ALA 284 Cb 1.48 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2rej h ALA 284 CO 0.17 0.40 -0.06 2.35 0.00 0.00 0.00 179.25 182.11 2rej h TRP 285 N 1.02 0.17 -0.16 0.00 7.01 -1.62 -2.74 115.95 119.63 2rej h TRP 285 Ca 0.35 -0.05 -0.08 0.00 2.11 0.00 0.00 58.89 61.21 2rej h TRP 285 Cb 0.09 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 2rej h TRP 285 CO -0.00 0.61 -0.25 -0.07 -2.79 0.00 0.00 178.44 175.93 2rej h LEU 286 N -0.32 0.29 -1.20 0.65 3.38 -1.44 -1.74 115.31 114.93 2rej h LEU 286 Ca 0.01 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 2rej h LEU 286 Cb 0.58 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2rej h LEU 286 CO 0.02 0.55 -0.39 0.50 0.09 0.00 0.00 178.44 179.21 2rej h LYS 287 N 0.26 0.02 0.00 1.13 3.64 -0.76 -2.87 116.57 117.99 2rej h LYS 287 Ca 0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2rej h LYS 287 Cb 0.59 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2rej h LYS 287 CO 0.04 0.41 -0.47 -3.47 -2.27 0.00 0.00 179.45 173.69 2rej n ASP 288 N -4.07 0.73 -3.63 4.20 -0.08 -0.85 -4.46 116.55 108.38 2rej n ASP 288 Ca -0.02 0.23 -0.28 0.00 -1.51 0.00 0.00 54.79 53.21 2rej n ASP 288 Cb 0.42 -0.08 -0.12 0.00 2.34 0.00 0.00 41.12 43.69 2rej n ASP 288 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 2rej s ASN 289 N -4.28 3.15 0.00 1.67 -0.87 -0.71 -4.99 114.94 108.90 2rej s ASN 289 Ca 0.07 -3.07 0.00 0.00 -1.57 0.00 0.00 52.86 48.29 2rej s ASN 289 Cb 0.13 -0.94 0.00 0.00 -0.02 0.00 0.00 41.25 40.42 2rej s ASN 289 CO 0.69 -0.19 0.20 -2.65 -2.57 0.00 0.00 177.10 172.58 2rej n PRO 290 N 2.93 0.32 -3.61 -0.60 -0.02 -1.23 -4.46 135.00 128.33 2rej n PRO 290 Ca 0.19 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.52 2rej n PRO 290 Cb 0.39 -1.20 -0.06 0.00 -0.02 0.00 0.00 33.50 32.61 2rej n PRO 290 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2rej s GLN 291 N -0.63 0.96 -0.90 -0.52 0.74 -1.26 -4.53 119.66 113.53 2rej s GLN 291 Ca 0.00 -0.12 -0.05 0.00 0.05 0.00 0.00 55.36 55.24 2rej s GLN 291 Cb 0.00 0.44 0.23 0.00 1.10 0.00 0.00 33.01 34.77 2rej s GLN 291 CO 0.00 -0.32 0.81 -1.12 -0.55 0.00 0.00 175.29 174.11 2rej s SER 292 N -1.66 6.27 0.29 6.67 0.01 -1.26 -5.06 113.70 118.96 2rej s SER 292 Ca -0.08 -3.47 0.24 0.00 1.31 0.00 0.00 55.95 53.94 2rej s SER 292 Cb -0.01 -2.00 0.35 0.00 0.21 0.00 0.00 66.02 64.56 2rej s SER 292 CO 0.02 -0.27 1.46 -0.29 0.41 0.00 0.00 173.24 174.57 2rej h ILE 293 N 4.22 0.00 0.01 1.44 2.10 -1.89 -3.38 117.51 120.01 2rej h ILE 293 Ca 0.13 -0.83 -0.00 0.00 1.08 0.00 0.00 64.86 65.25 2rej h ILE 293 Cb 0.87 1.64 0.00 0.00 -1.09 0.00 0.00 36.82 38.24 2rej h ILE 293 CO 0.86 0.00 -0.00 -0.33 -1.08 0.00 0.00 178.15 177.60 2rej h GLU 294 N 0.00 -0.01 0.00 2.19 3.07 -1.97 -3.16 114.58 114.70 2rej h GLU 294 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2rej h GLU 294 Cb 0.91 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 2rej h GLU 294 CO 0.00 0.10 0.00 -1.00 -1.40 0.00 0.00 179.01 176.71 2rej h PRO 295 N -0.12 0.00 -0.00 2.33 0.13 -2.03 -3.00 132.00 129.31 2rej h PRO 295 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2rej h PRO 295 Cb 0.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.25 2rej h PRO 295 CO 0.00 0.00 -0.10 0.91 -0.23 0.00 0.00 178.00 178.59 2rej n TRP 296 N -2.39 0.00 -1.46 1.56 8.01 -1.19 -4.15 117.44 117.82 2rej n TRP 296 Ca 0.02 0.00 0.07 0.00 -1.31 0.00 0.00 57.50 56.28 2rej n TRP 296 Cb 0.27 -0.15 0.15 0.00 -2.01 0.00 0.00 31.31 29.57 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 -0.85 2.28 -4.33 -0.99 4.77 -1.13 -4.91 117.00 111.83 2rej n LEU 297 Ca 0.15 -3.26 -0.36 0.00 -0.03 0.00 0.00 56.01 52.51 2rej n LEU 297 Cb 0.27 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 2rej n LEU 297 CO 0.23 0.98 1.86 -1.20 -1.33 0.00 0.00 177.39 177.93 2rej n SER 298 N -1.08 3.60 0.00 -1.43 7.64 -1.26 -3.49 113.62 117.59 2rej n SER 298 Ca 0.16 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.26 2rej n SER 298 Cb 0.70 -1.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 2rej n SER 298 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rej n GLY 299 N 5.29 1.29 3.29 0.23 0.00 -1.26 -5.12 105.19 108.90 2rej n GLY 299 Ca 0.48 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.00 2.26 0.44 1.61 1.01 -1.23 -5.02 120.40 117.47 2rej s VAL 300 Ca 0.00 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.07 2rej s VAL 300 Cb 0.00 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 2rej s VAL 300 CO 0.00 0.56 0.25 0.00 0.00 0.00 0.00 175.10 175.91 2rej s ALA 301 N -0.06 3.84 1.09 5.51 0.00 -1.26 -3.55 121.76 127.33 2rej s ALA 301 Ca -0.06 -1.85 -0.18 0.00 0.00 0.00 0.00 51.96 49.86 2rej s ALA 301 Cb -0.15 -0.54 0.26 0.00 0.00 0.00 0.00 23.12 22.70 2rej s ALA 301 CO 0.05 -0.22 1.26 -0.08 0.00 0.00 0.00 175.76 176.77 2rej s THR 302 N -2.62 1.81 0.43 0.00 -1.32 -0.75 -4.87 115.64 108.33 2rej s THR 302 Ca 0.40 0.00 0.32 0.00 -1.21 0.00 0.00 61.69 61.19 2rej s THR 302 Cb 0.01 -2.80 0.34 0.00 -1.51 0.00 0.00 72.50 68.54 2rej s THR 302 CO 0.22 0.00 2.13 0.50 -2.21 0.00 0.00 174.62 175.27 2rej h LYS 303 N -2.15 0.00 -0.55 7.08 3.64 -1.88 -3.17 116.57 119.54 2rej h LYS 303 Ca -0.43 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 58.56 2rej h LYS 303 Cb 1.24 0.00 -0.38 0.00 -0.41 0.00 0.00 32.23 32.68 2rej h LYS 303 CO 0.30 0.07 -0.90 -0.40 -2.27 0.00 0.00 179.45 176.25 2rej n ASP 304 N -3.48 3.42 0.00 4.20 5.75 -1.26 -5.01 116.55 120.17 2rej n ASP 304 Ca -0.02 -3.13 0.00 0.00 -0.01 0.00 0.00 54.79 51.63 2rej n ASP 304 Cb 0.20 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 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 -0.65 0.56 3.99 6.12 0.00 -1.20 -5.07 105.19 108.95 2rej n GLY 305 Ca 0.28 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 2rej n GLY 305 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2rej s GLY 306 N -2.65 1.93 0.27 -0.02 0.00 -1.26 -4.89 107.32 100.70 2rej s GLY 306 Ca 0.00 -1.67 -0.30 0.00 0.00 0.00 0.00 44.72 42.75 2rej s GLY 306 CO 0.00 -1.50 1.58 1.34 0.00 0.00 0.00 173.10 174.52 2rej n ASP 307 N -1.79 3.68 0.00 1.64 -0.08 -1.26 -1.82 116.55 116.93 2rej n ASP 307 Ca 0.07 1.14 0.00 0.00 -1.51 0.00 0.00 54.79 54.48 2rej n ASP 307 Cb 0.59 -1.56 0.00 0.00 2.34 0.00 0.00 41.12 42.49 2rej n ASP 307 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2rej n GLY 308 N 2.35 0.79 0.31 0.27 0.00 -1.23 -3.96 105.19 103.71 2rej n GLY 308 Ca 0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.37 -0.74 0.99 5.85 -1.88 -2.34 115.31 117.57 2rej h LEU 309 Ca 0.00 0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.92 2rej h LEU 309 Cb 0.00 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 2rej h LEU 309 CO 0.00 0.07 0.42 0.00 -0.34 0.00 0.00 178.44 178.59 2rej h ALA 310 N 1.65 1.01 0.00 1.25 0.00 -1.99 -1.45 119.26 119.74 2rej h ALA 310 Ca 0.51 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.40 2rej h ALA 310 Cb 0.89 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2rej h ALA 310 CO -0.47 0.09 -0.19 0.00 0.00 0.00 0.00 179.25 178.68 2rej h ALA 311 N 1.39 0.99 0.01 0.00 0.00 -1.55 -3.11 119.26 116.99 2rej h ALA 311 Ca 0.34 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2rej h ALA 311 Cb 0.24 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2rej h ALA 311 CO -0.20 0.24 -0.37 0.28 0.00 0.00 0.00 179.25 179.19 2rej h VAL 312 N 0.00 1.52 -1.01 0.00 2.07 -1.23 -3.07 116.25 114.53 2rej h VAL 312 Ca -0.00 -2.03 0.11 0.00 0.82 0.00 0.00 66.70 65.60 2rej h VAL 312 Cb 0.77 2.77 -0.08 0.00 -1.52 0.00 0.00 31.29 33.23 2rej h VAL 312 CO 0.02 0.57 0.64 0.50 0.02 0.00 0.00 177.57 179.32 2rej h LYS 313 N -0.40 1.00 0.02 1.57 3.64 -1.29 -2.75 116.57 118.37 2rej h LYS 313 Ca -0.05 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 2rej h LYS 313 Cb 1.13 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 32.73 2rej h LYS 313 CO 0.07 0.66 -0.22 0.00 -2.27 0.00 0.00 179.45 177.69 2rej h ALA 314 N 1.53 -0.01 -0.24 5.00 0.00 -1.65 -3.08 119.26 120.80 2rej h ALA 314 Ca 0.49 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2rej h ALA 314 Cb 0.44 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2rej h ALA 314 CO -0.25 0.08 -0.08 0.00 0.00 0.00 0.00 179.25 179.00 2rej h ALA 315 N 0.12 1.43 0.00 0.00 0.00 -1.49 -2.81 119.26 116.50 2rej h ALA 315 Ca -0.03 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 2rej h ALA 315 Cb 1.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2rej h ALA 315 CO 0.04 0.40 -0.34 1.25 0.00 0.00 0.00 179.25 180.60 2rej h LEU 316 N 0.36 0.00 0.00 0.00 6.46 -1.63 -3.47 115.31 117.03 2rej h LEU 316 Ca 0.08 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 2rej h LEU 316 Cb 0.37 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 2rej h LEU 316 CO 0.02 0.34 0.00 0.61 -0.62 0.00 0.00 178.44 178.79 2rej n GLY 317 N 0.42 0.96 0.00 3.75 0.00 -1.06 -5.07 105.19 104.18 2rej n GLY 317 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2rej n GLY 317 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36