#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3niw s TYR 3 N 0.00 3.84 0.00 5.64 1.51 -1.26 -4.64 117.35 122.44 3niw s TYR 3 Ca 0.00 1.63 0.00 0.00 -1.01 0.00 0.00 57.07 57.69 3niw s TYR 3 Cb 0.00 -2.85 0.00 0.00 -0.11 0.00 0.00 41.96 39.00 3niw s TYR 3 CO 0.00 0.38 0.01 1.63 -1.11 0.00 0.00 175.55 176.46 3niw n LYS 4 N 2.19 6.58 -3.79 -0.62 5.02 0.22 -4.96 118.16 122.81 3niw n LYS 4 Ca -0.03 -0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 56.12 3niw n LYS 4 Cb 0.49 -0.49 -0.13 0.00 -0.02 0.00 0.00 35.03 34.88 3niw n LYS 4 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3niw s LEU 5 N -1.89 1.07 -0.13 -0.35 2.96 -1.17 -1.87 118.68 117.30 3niw s LEU 5 Ca 0.00 0.36 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 3niw s LEU 5 Cb 0.00 0.55 0.01 0.00 0.50 0.00 0.00 46.19 47.25 3niw s LEU 5 CO 0.00 -0.10 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.08 3niw s ILE 6 N 0.51 2.11 -0.16 6.68 1.01 -0.33 -1.55 121.20 129.47 3niw s ILE 6 Ca -0.03 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.62 3niw s ILE 6 Cb -0.05 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.57 3niw s ILE 6 CO -0.02 0.55 -0.08 -0.69 0.00 0.00 0.00 174.94 174.70 3niw s VAL 7 N 0.68 3.44 -0.06 2.92 1.01 0.78 -0.45 120.40 128.72 3niw s VAL 7 Ca -0.10 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.41 3niw s VAL 7 Cb -0.16 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.72 3niw s VAL 7 CO 0.01 0.49 -0.19 -0.76 0.00 0.00 0.00 175.10 174.65 3niw s LEU 8 N 0.58 1.94 0.83 3.92 1.43 -0.03 -0.16 118.68 127.19 3niw s LEU 8 Ca -0.05 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.52 3niw s LEU 8 Cb -0.15 -1.12 0.09 0.00 0.03 0.00 0.00 46.19 45.04 3niw s LEU 8 CO 0.03 0.15 1.09 -0.62 0.23 0.00 0.00 176.35 177.23 3niw s ASP 9 N 0.18 4.08 0.00 2.29 2.15 -0.91 -0.92 116.67 123.54 3niw s ASP 9 Ca -0.09 1.60 0.00 0.00 0.43 0.00 0.00 52.55 54.49 3niw s ASP 9 Cb -0.14 -2.30 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 3niw s ASP 9 CO 0.04 -2.27 0.00 0.18 -0.17 0.00 0.00 175.17 172.95 3niw n LEU 10 N -3.66 0.43 -4.71 -1.34 4.77 -1.26 -2.49 117.00 108.74 3niw n LEU 10 Ca 0.08 0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.68 3niw n LEU 10 Cb 0.54 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 3niw n LEU 10 CO 0.55 -0.20 1.16 -1.81 -1.33 0.00 0.00 177.39 175.76 3niw s ASP 11 N -2.10 6.71 0.00 -1.43 1.11 -1.26 -1.31 116.67 118.40 3niw s ASP 11 Ca 0.00 2.44 0.00 0.00 0.18 0.00 0.00 52.55 55.17 3niw s ASP 11 Cb 0.00 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.41 3niw s ASP 11 CO 0.00 -0.75 0.00 0.61 1.18 0.00 0.00 175.17 176.21 3niw n GLY 12 N 3.66 0.93 0.00 0.21 0.00 -1.26 -4.81 105.19 103.92 3niw n GLY 12 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3niw n GLY 12 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3niw n THR 13 N -2.08 0.00 -0.16 2.61 -1.04 -0.72 -4.49 114.28 108.40 3niw n THR 13 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 3niw n THR 13 Cb 0.00 -0.11 -0.00 0.00 -1.82 0.00 0.00 70.33 68.39 3niw n THR 13 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3niw h LEU 14 N 0.00 0.95-10.05 -4.42 5.85 -0.88 -3.42 115.31 103.33 3niw h LEU 14 Ca 0.00 -0.37 -0.53 0.00 0.84 0.00 0.00 57.88 57.82 3niw h LEU 14 Cb 0.00 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3niw h LEU 14 CO 0.00 1.11 -0.14 0.42 -0.34 0.00 0.00 178.44 179.49 3niw s THR 15 N -4.75 5.00 0.00 1.05 -4.23 -0.88 -4.57 115.64 107.25 3niw s THR 15 Ca -0.12 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 3niw s THR 15 Cb 0.12 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.27 3niw s THR 15 CO 0.85 -0.23 0.00 -0.46 -0.54 0.00 0.00 174.62 174.25 3niw n ASN 16 N -0.63 0.00 0.26 3.99 0.23 -0.41 -4.08 115.26 114.62 3niw n ASN 16 Ca -0.01 -0.95 0.13 0.00 -0.53 0.00 0.00 54.58 53.21 3niw n ASN 16 Cb 0.53 0.00 0.71 0.00 -2.08 0.00 0.00 39.78 38.94 3niw n ASN 16 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3niw h SER 17 N 0.00 0.00 -0.41 0.53 0.02 -1.89 -0.58 113.55 111.23 3niw h SER 17 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3niw h SER 17 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3niw h SER 17 CO 0.00 0.13 0.00 0.29 -1.14 0.00 0.00 176.83 176.11 3niw n LYS 18 N -3.60 2.78 -2.33 3.45 5.02 -1.26 -4.93 118.16 117.30 3niw n LYS 18 Ca -0.02 -1.82 -0.19 0.00 -2.02 0.00 0.00 58.31 54.26 3niw n LYS 18 Cb 0.25 -1.68 -0.01 0.00 -0.02 0.00 0.00 35.03 33.57 3niw n LYS 18 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3niw n LYS 19 N 0.61 -1.54 -4.21 1.97 4.76 -0.22 -5.01 118.16 114.53 3niw n LYS 19 Ca 0.16 0.95 -0.28 0.00 -2.87 0.00 0.00 58.31 56.27 3niw n LYS 19 Cb 0.62 -5.51 -0.09 0.00 -1.84 0.00 0.00 35.03 28.21 3niw n LYS 19 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3niw s GLU 20 N -4.91 2.30 -0.24 1.97 2.02 -1.26 -4.82 118.70 113.75 3niw s GLU 20 Ca 0.00 -1.06 -0.22 0.00 0.02 0.00 0.00 54.97 53.71 3niw s GLU 20 Cb 0.00 -2.35 -0.01 0.00 0.10 0.00 0.00 34.13 31.87 3niw s GLU 20 CO 0.00 0.48 0.73 0.42 0.02 0.00 0.00 175.26 176.91 3niw s ILE 21 N -1.50 4.91 0.76 -1.63 1.01 -1.26 -1.29 121.20 122.21 3niw s ILE 21 Ca 0.25 1.35 -0.14 0.00 0.00 0.00 0.00 60.65 62.11 3niw s ILE 21 Cb -0.10 -4.03 0.06 0.00 0.01 0.00 0.00 42.46 38.40 3niw s ILE 21 CO 0.17 -0.02 1.22 -0.94 0.00 0.00 0.00 174.94 175.37 3niw s SER 22 N 1.39 3.90 0.39 3.58 1.04 -1.26 -4.80 113.70 117.94 3niw s SER 22 Ca 0.31 2.40 0.10 0.00 0.48 0.00 0.00 55.95 59.24 3niw s SER 22 Cb -0.15 -2.59 0.79 0.00 0.10 0.00 0.00 66.02 64.16 3niw s SER 22 CO 0.08 -2.46 1.90 0.77 0.98 0.00 0.00 173.24 174.51 3niw h SER 23 N -0.53 0.17 -0.49 7.02 4.64 -1.99 -1.15 113.55 121.22 3niw h SER 23 Ca -0.47 -0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 60.73 3niw h SER 23 Cb 1.30 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 3niw h SER 23 CO 0.48 0.37 -0.02 -0.09 -0.87 0.00 0.00 176.83 176.70 3niw h ARG 24 N 0.17 0.87 -0.34 4.77 2.43 -1.99 -0.67 114.38 119.61 3niw h ARG 24 Ca 0.03 -0.29 -0.03 0.00 -0.81 0.00 0.00 59.98 58.88 3niw h ARG 24 Cb 0.42 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 3niw h ARG 24 CO 0.03 0.92 0.08 -0.91 -1.51 0.00 0.00 179.97 178.58 3niw h ASN 25 N 0.73 0.52 -0.11 -3.80 2.35 -1.85 -1.17 115.58 112.25 3niw h ASN 25 Ca 0.14 -0.23 0.02 0.00 -0.55 0.00 0.00 56.30 55.67 3niw h ASN 25 Cb 0.53 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 3niw h ASN 25 CO 0.03 0.62 0.00 -0.09 -1.65 0.00 0.00 177.43 176.34 3niw h ARG 26 N 0.40 0.04 -0.37 0.81 2.43 -1.04 -1.58 114.38 115.08 3niw h ARG 26 Ca 0.11 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.14 3niw h ARG 26 Cb 0.30 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3niw h ARG 26 CO 0.00 0.03 -0.30 0.93 -1.51 0.00 0.00 179.97 179.12 3niw h GLU 27 N 0.04 0.81 -0.65 0.20 4.39 -1.04 -0.99 114.58 117.35 3niw h GLU 27 Ca 0.05 -0.37 -0.04 0.00 0.34 0.00 0.00 59.36 59.34 3niw h GLU 27 Cb 0.06 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 3niw h GLU 27 CO -0.08 1.00 0.26 1.15 -1.16 0.00 0.00 179.01 180.18 3niw h THR 28 N 0.68 1.24 -0.21 1.13 2.02 -1.11 -1.00 112.91 115.66 3niw h THR 28 Ca 0.08 -0.73 -0.18 0.00 0.77 0.00 0.00 66.41 66.34 3niw h THR 28 Cb 0.84 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3niw h THR 28 CO 0.07 0.29 -0.60 -0.07 0.37 0.00 0.00 175.52 175.58 3niw h LEU 29 N 0.91 0.78 -0.15 2.58 3.38 -1.13 -0.98 115.31 120.69 3niw h LEU 29 Ca 0.22 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3niw h LEU 29 Cb 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3niw h LEU 29 CO -0.02 1.20 0.08 0.40 0.09 0.00 0.00 178.44 180.19 3niw h ILE 30 N 0.51 1.10 -0.73 1.22 2.04 -1.10 -2.18 117.51 118.37 3niw h ILE 30 Ca -0.00 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.58 3niw h ILE 30 Cb 1.18 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 3niw h ILE 30 CO 0.12 0.10 0.49 0.03 0.00 0.00 0.00 178.15 178.88 3niw h ARG 31 N 0.14 0.96 -0.13 2.37 3.08 -1.08 0.77 114.38 120.50 3niw h ARG 31 Ca 0.05 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 3niw h ARG 31 Cb 0.08 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3niw h ARG 31 CO -0.01 0.64 -0.27 0.97 -1.07 0.00 0.00 179.97 180.23 3niw h ILE 32 N 0.99 1.24 -0.45 2.04 6.09 -1.05 -0.33 117.51 126.05 3niw h ILE 32 Ca 0.27 -1.14 -0.14 0.00 -1.37 0.00 0.00 64.86 62.47 3niw h ILE 32 Cb -0.11 1.45 -0.01 0.00 0.47 0.00 0.00 36.82 38.61 3niw h ILE 32 CO -0.06 0.35 -0.28 1.56 -3.07 0.00 0.00 178.15 176.65 3niw h GLN 33 N 0.20 0.98 -0.25 2.19 4.20 -0.72 -2.36 115.11 119.35 3niw h GLN 33 Ca 0.03 -0.46 0.02 0.00 0.06 0.00 0.00 58.65 58.31 3niw h GLN 33 Cb 0.59 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 3niw h GLN 33 CO 0.04 1.13 0.17 0.93 -0.67 0.00 0.00 178.83 180.43 3niw h GLU 34 N 0.83 0.23 0.00 1.46 5.08 0.03 0.15 114.58 122.37 3niw h GLU 34 Ca 0.09 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3niw h GLU 34 Cb 0.87 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3niw h GLU 34 CO 0.08 0.15 0.00 1.04 -1.00 0.00 0.00 179.01 179.28 3niw n GLN 35 N -4.50 0.73 -0.10 2.33 6.02 -0.22 -4.90 117.38 116.74 3niw n GLN 35 Ca 0.02 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3niw n GLN 35 Cb 0.15 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.91 3niw n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3niw n GLY 36 N 0.58 0.78 3.77 1.08 0.00 0.53 -5.08 105.19 106.85 3niw n GLY 36 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3niw n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3niw s ILE 37 N -2.09 4.78 -0.03 -0.61 -1.09 -0.92 -5.00 121.20 116.24 3niw s ILE 37 Ca 0.00 1.37 -0.03 0.00 -2.23 0.00 0.00 60.65 59.77 3niw s ILE 37 Cb 0.00 -3.99 -0.04 0.00 -1.58 0.00 0.00 42.46 36.85 3niw s ILE 37 CO 0.00 0.44 0.14 -0.13 -1.23 0.00 0.00 174.94 174.16 3niw s ARG 38 N -0.45 3.30 0.06 2.79 0.52 -0.78 -3.81 118.95 120.58 3niw s ARG 38 Ca 0.33 -0.34 0.04 0.00 -0.52 0.00 0.00 55.73 55.24 3niw s ARG 38 Cb -0.19 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.21 3niw s ARG 38 CO 0.20 0.69 -0.04 -0.51 0.02 0.00 0.00 175.30 175.66 3niw s LEU 39 N -1.67 3.31 -0.07 2.53 1.43 -1.26 -1.19 118.68 121.76 3niw s LEU 39 Ca 0.23 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 3niw s LEU 39 Cb -0.12 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.11 3niw s LEU 39 CO 0.14 0.22 -0.13 -0.69 0.23 0.00 0.00 176.35 176.12 3niw s VAL 40 N -1.18 1.18 -0.28 -1.59 1.01 0.41 -1.28 120.40 118.67 3niw s VAL 40 Ca 0.22 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 3niw s VAL 40 Cb -0.11 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 3niw s VAL 40 CO 0.13 0.37 0.21 -0.76 0.00 0.00 0.00 175.10 175.05 3niw s LEU 41 N 0.69 4.03 -0.16 3.92 1.43 -0.24 -0.85 118.68 127.50 3niw s LEU 41 Ca -0.14 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 3niw s LEU 41 Cb -0.16 -2.16 0.03 0.00 0.03 0.00 0.00 46.19 43.93 3niw s LEU 41 CO 0.03 -0.07 -0.13 0.00 0.23 0.00 0.00 176.35 176.42 3niw s ALA 42 N 1.80 1.86 0.08 4.21 0.00 -0.10 0.05 121.76 129.66 3niw s ALA 42 Ca 0.08 -0.94 -0.22 0.00 0.00 0.00 0.00 51.96 50.87 3niw s ALA 42 Cb -0.16 -1.09 0.05 0.00 0.00 0.00 0.00 23.12 21.92 3niw s ALA 42 CO 0.11 -0.47 0.53 0.45 0.00 0.00 0.00 175.76 176.38 3niw s SER 43 N 1.48 -0.45 0.52 0.00 0.15 -0.80 -3.87 113.70 110.73 3niw s SER 43 Ca 0.04 0.09 0.34 0.00 0.70 0.00 0.00 55.95 57.12 3niw s SER 43 Cb -0.13 0.52 1.49 0.00 -1.71 0.00 0.00 66.02 66.18 3niw s SER 43 CO -0.10 -0.79 2.00 1.23 1.20 0.00 0.00 173.24 176.78 3niw h GLY 44 N 2.55 0.00 -2.26 9.45 0.00 -1.90 0.21 103.07 111.12 3niw h GLY 44 Ca -0.32 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.45 3niw h GLY 44 CO 0.41 0.00 0.33 0.54 0.00 0.00 0.00 176.54 177.82 3niw n ARG 45 N -2.93 0.93 -1.05 4.80 1.74 -1.26 -3.71 116.66 115.18 3niw n ARG 45 Ca 0.00 0.37 -0.32 0.00 -0.77 0.00 0.00 57.85 57.13 3niw n ARG 45 Cb 0.24 -2.37 0.13 0.00 -1.02 0.00 0.00 32.46 29.44 3niw n ARG 45 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3niw s PRO 46 N -3.20 1.59 0.25 5.56 0.04 -1.26 -1.17 135.00 136.80 3niw s PRO 46 Ca 0.79 1.61 -0.10 0.00 0.04 0.00 0.00 61.00 63.34 3niw s PRO 46 Cb -0.38 -1.79 0.37 0.00 0.04 0.00 0.00 34.50 32.74 3niw s PRO 46 CO 0.44 -2.22 1.60 1.15 0.04 0.00 0.00 177.00 178.00 3niw h THR 47 N -1.16 0.19 0.00 1.26 2.02 -1.93 -0.67 112.91 112.62 3niw h THR 47 Ca -0.45 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3niw h THR 47 Cb 1.28 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 3niw h THR 47 CO 0.46 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 175.13 3niw n TYR 48 N -5.51 0.00 0.60 3.16 4.01 -1.26 -1.00 117.16 117.16 3niw n TYR 48 Ca 0.12 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.99 3niw n TYR 48 Cb 0.43 -0.39 0.38 0.00 -0.31 0.00 0.00 39.34 39.46 3niw n TYR 48 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3niw h GLY 49 N 4.45 0.00 0.00 2.72 0.00 -1.27 -3.35 103.07 105.62 3niw h GLY 49 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 3niw h GLY 49 CO 0.00 0.00 -2.32 1.39 0.00 0.00 0.00 176.54 175.61 3niw n ILE 50 N -2.30 1.32 -0.31 2.60 5.41 -0.17 -4.63 119.36 121.28 3niw n ILE 50 Ca 0.05 -0.69 0.15 0.00 1.00 0.00 0.00 62.75 63.27 3niw n ILE 50 Cb 0.44 -0.84 0.33 0.00 -0.71 0.00 0.00 39.64 38.86 3niw n ILE 50 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3niw h VAL 51 N 0.00 0.34 -0.58 1.39 2.07 -1.37 -1.36 116.25 116.74 3niw h VAL 51 Ca -0.52 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 3niw h VAL 51 Cb 2.03 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 3niw h VAL 51 CO -0.02 0.05 0.08 -0.65 0.02 0.00 0.00 177.57 177.05 3niw h PRO 52 N 0.27 0.94 -0.45 1.57 0.11 -1.82 -0.37 132.00 132.25 3niw h PRO 52 Ca 0.59 -0.24 -0.13 0.00 0.11 0.00 0.00 66.00 66.34 3niw h PRO 52 Cb 1.23 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3niw h PRO 52 CO -0.62 0.88 -0.22 -0.07 -0.21 0.00 0.00 178.00 177.75 3niw h LEU 53 N 0.88 0.97 -1.33 2.35 3.38 -1.57 -1.17 115.31 118.82 3niw h LEU 53 Ca 0.18 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 3niw h LEU 53 Cb 0.41 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3niw h LEU 53 CO 0.01 1.16 0.26 0.00 0.09 0.00 0.00 178.44 179.95 3niw h ALA 54 N 0.84 1.48 -0.23 1.53 0.00 -0.97 -1.52 119.26 120.39 3niw h ALA 54 Ca 0.10 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3niw h ALA 54 Cb 0.80 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3niw h ALA 54 CO 0.07 0.42 -0.23 -0.91 0.00 0.00 0.00 179.25 178.60 3niw h ASN 55 N 0.72 0.60 -0.60 0.00 2.35 -0.94 -2.79 115.58 114.93 3niw h ASN 55 Ca 0.18 -0.47 0.03 0.00 -0.55 0.00 0.00 56.30 55.49 3niw h ASN 55 Cb 0.06 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 3niw h ASN 55 CO -0.03 0.95 0.39 -0.08 -1.65 0.00 0.00 177.43 177.02 3niw h GLU 56 N 0.26 0.67 -0.15 0.81 4.81 -0.79 -1.67 114.58 118.51 3niw h GLU 56 Ca 0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3niw h GLU 56 Cb 0.78 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.01 3niw h GLU 56 CO 0.06 0.44 0.00 1.28 -0.73 0.00 0.00 179.01 180.06 3niw n LEU 57 N -4.47 1.21 -2.62 1.64 4.77 -0.61 -5.03 117.00 111.89 3niw n LEU 57 Ca 0.07 -0.53 -0.04 0.00 -0.03 0.00 0.00 56.01 55.48 3niw n LEU 57 Cb 0.14 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3niw n LEU 57 CO 0.35 0.27 -0.54 0.54 -1.33 0.00 0.00 177.39 176.67 3niw n ARG 58 N 0.05 -4.14 0.00 3.23 1.74 -0.63 -4.67 116.66 112.24 3niw n ARG 58 Ca 0.14 3.12 0.00 0.00 -0.77 0.00 0.00 57.85 60.34 3niw n ARG 58 Cb 0.24 -4.31 0.00 0.00 -1.02 0.00 0.00 32.46 27.37 3niw n ARG 58 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3niw n ASN 60 N 1.87 0.00 -0.00 0.55 6.94 -1.26 -3.43 115.26 119.93 3niw n ASN 60 Ca -0.30 0.00 0.10 0.00 -0.02 0.00 0.00 54.58 54.36 3niw n ASN 60 Cb 0.46 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.76 3niw n ASN 60 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3niw n GLU 61 N 0.00 0.30 -0.88 -3.83 1.02 -1.26 -4.26 120.64 111.73 3niw n GLU 61 Ca 0.00 -0.03 0.05 0.00 -0.02 0.00 0.00 57.16 57.16 3niw n GLU 61 Cb 0.00 -1.47 0.11 0.00 -0.02 0.00 0.00 31.44 30.06 3niw n GLU 61 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3niw n PHE 62 N -1.61 0.00 -2.88 -0.32 3.72 -1.22 -5.00 117.46 110.15 3niw n PHE 62 Ca 0.03 -0.95 -0.18 0.00 -0.05 0.00 0.00 57.45 56.29 3niw n PHE 62 Cb 0.36 -0.19 0.03 0.00 -0.94 0.00 0.00 39.48 38.74 3niw n PHE 62 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3niw n GLY 63 N -0.45 -0.30 3.84 1.37 0.00 -1.26 -4.73 105.19 103.67 3niw n GLY 63 Ca 0.12 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 3niw n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3niw s GLY 64 N -2.76 2.01 0.04 -0.02 0.00 -1.26 -4.75 107.32 100.57 3niw s GLY 64 Ca 0.25 0.16 0.07 0.00 0.00 0.00 0.00 44.72 45.19 3niw s GLY 64 CO 0.31 0.43 -0.16 -1.36 0.00 0.00 0.00 173.10 172.32 3niw s PHE 65 N -2.70 2.63 -0.23 1.90 0.08 -0.40 -0.03 117.98 119.23 3niw s PHE 65 Ca 0.59 -0.21 -0.05 0.00 0.12 0.00 0.00 56.93 57.37 3niw s PHE 65 Cb -0.10 -1.48 -0.02 0.00 -0.57 0.00 0.00 43.02 40.85 3niw s PHE 65 CO 0.35 0.29 0.00 0.42 -0.10 0.00 0.00 175.22 176.18 3niw s ILE 66 N -0.97 3.73 -0.96 0.64 1.01 -0.09 -1.08 121.20 123.48 3niw s ILE 66 Ca 0.16 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.32 3niw s ILE 66 Cb -0.11 -2.72 0.25 0.00 0.01 0.00 0.00 42.46 39.89 3niw s ILE 66 CO 0.06 0.39 0.93 -0.76 0.00 0.00 0.00 174.94 175.56 3niw s LEU 67 N 1.53 6.54 0.60 2.97 1.02 0.11 -1.24 118.68 130.21 3niw s LEU 67 Ca 0.06 -3.13 -0.07 0.00 0.02 0.00 0.00 54.13 51.01 3niw s LEU 67 Cb -0.15 -2.20 0.01 0.00 0.02 0.00 0.00 46.19 43.87 3niw s LEU 67 CO -0.01 -0.43 0.93 -0.94 0.02 0.00 0.00 176.35 175.92 3niw s SER 68 N 1.72 5.61 -1.37 2.29 1.04 -0.80 -1.90 113.70 120.29 3niw s SER 68 Ca 0.24 0.81 -0.05 0.00 0.48 0.00 0.00 55.95 57.43 3niw s SER 68 Cb -0.10 -1.78 0.03 0.00 0.10 0.00 0.00 66.02 64.26 3niw s SER 68 CO -0.09 -1.08 0.86 -1.22 0.98 0.00 0.00 173.24 172.69 3niw n TYR 69 N -2.64 -2.15 -3.64 5.02 4.01 -0.32 -0.87 117.16 116.57 3niw n TYR 69 Ca 0.05 0.89 -0.27 0.00 -0.16 0.00 0.00 57.90 58.40 3niw n TYR 69 Cb 0.57 -4.40 0.03 0.00 -0.31 0.00 0.00 39.34 35.23 3niw n TYR 69 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3niw n ASN 70 N -2.99 -5.12 0.00 7.72 3.02 0.69 -1.43 115.26 117.15 3niw n ASN 70 Ca -0.17 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 3niw n ASN 70 Cb 0.62 -4.10 0.00 0.00 -0.61 0.00 0.00 39.78 35.69 3niw n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3niw n GLY 71 N -1.64 0.87 0.41 7.41 0.00 -0.05 -3.39 105.19 108.80 3niw n GLY 71 Ca 0.01 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.26 3niw n GLY 71 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3niw h GLY 72 N 0.00 1.25 -4.72 -0.02 0.00 -0.31 -3.40 103.07 95.87 3niw h GLY 72 Ca 0.00 -0.21 -0.53 0.00 0.00 0.00 0.00 47.33 46.59 3niw h GLY 72 CO 0.00 -0.15 -0.83 -0.54 0.00 0.00 0.00 176.54 175.02 3niw s GLU 73 N -5.49 1.28 -0.20 4.80 2.02 -0.96 0.06 118.70 120.21 3niw s GLU 73 Ca -0.09 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.15 3niw s GLU 73 Cb 0.26 -1.31 0.03 0.00 0.10 0.00 0.00 34.13 33.21 3niw s GLU 73 CO 0.80 0.34 -0.15 0.42 0.02 0.00 0.00 175.26 176.69 3niw s ILE 74 N -0.65 1.91 -0.08 -1.63 1.01 -0.89 -1.90 121.20 118.96 3niw s ILE 74 Ca 0.06 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 59.67 3niw s ILE 74 Cb -0.08 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.55 3niw s ILE 74 CO 0.01 0.32 -0.13 -0.63 0.00 0.00 0.00 174.94 174.50 3niw s ILE 75 N 1.31 1.26 -0.29 2.92 1.01 -0.37 -3.74 121.20 123.29 3niw s ILE 75 Ca 0.01 -0.52 -0.29 0.00 0.00 0.00 0.00 60.65 59.84 3niw s ILE 75 Cb -0.15 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 41.15 3niw s ILE 75 CO -0.10 0.39 1.38 0.21 0.00 0.00 0.00 174.94 176.82 3niw s ASN 76 N 0.85 6.57 0.20 3.58 3.84 -0.46 -0.91 114.94 128.62 3niw s ASN 76 Ca -0.10 1.26 0.26 0.00 0.21 0.00 0.00 52.86 54.49 3niw s ASN 76 Cb -0.15 -2.54 0.85 0.00 -0.55 0.00 0.00 41.25 38.86 3niw s ASN 76 CO 0.01 -1.16 1.78 1.87 -2.79 0.00 0.00 177.10 176.81 3niw n TRP 77 N 7.94 0.87 0.12 0.43 -0.00 0.96 0.20 117.44 127.95 3niw n TRP 77 Ca 0.16 0.26 -0.06 0.00 -0.00 0.00 0.00 57.50 57.86 3niw n TRP 77 Cb 0.46 -0.92 -0.03 0.00 -0.00 0.00 0.00 31.31 30.82 3niw n TRP 77 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 3niw h GLU 78 N 0.00 -0.37 0.00 5.87 4.81 -1.74 -3.40 114.58 119.75 3niw h GLU 78 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3niw h GLU 78 Cb 0.69 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.15 3niw h GLU 78 CO 0.00 -0.25 -0.04 0.66 -0.73 0.00 0.00 179.01 178.65 3niw h SER 79 N -1.02 0.00 -0.06 1.04 4.64 -1.87 -3.48 113.55 112.80 3niw h SER 79 Ca -0.04 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 3niw h SER 79 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 3niw h SER 79 CO 0.06 0.00 -0.02 0.29 -0.87 0.00 0.00 176.83 176.29 3niw n LYS 80 N -2.92 -0.82 -1.51 4.77 4.76 0.13 -5.04 118.16 117.53 3niw n LYS 80 Ca 0.04 0.30 -0.21 0.00 -2.87 0.00 0.00 58.31 55.56 3niw n LYS 80 Cb 0.51 -3.97 0.15 0.00 -1.84 0.00 0.00 35.03 29.88 3niw n LYS 80 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 3niw n GLU 81 N -1.50 -0.84 -0.35 1.97 2.13 -1.22 -4.81 120.64 116.03 3niw n GLU 81 Ca -0.01 -1.60 0.00 0.00 0.66 0.00 0.00 57.16 56.21 3niw n GLU 81 Cb 0.22 -0.95 0.00 0.00 0.27 0.00 0.00 31.44 30.98 3niw n GLU 81 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 3niw n TYR 84 N -3.26 0.00 -3.47 4.31 9.36 -1.25 -1.35 117.16 121.51 3niw n TYR 84 Ca 0.12 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 61.09 3niw n TYR 84 Cb 0.43 -0.12 -0.12 0.00 -0.63 0.00 0.00 39.34 38.90 3niw n TYR 84 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 3niw s GLU 85 N -0.16 0.37 -0.50 2.98 2.12 -1.25 -2.09 118.70 120.18 3niw s GLU 85 Ca 0.00 -0.74 -0.13 0.00 0.36 0.00 0.00 54.97 54.46 3niw s GLU 85 Cb 0.00 -1.06 0.12 0.00 0.26 0.00 0.00 34.13 33.45 3niw s GLU 85 CO 0.00 -1.10 0.41 1.21 -0.54 0.00 0.00 175.26 175.24 3niw s ASN 86 N 1.76 5.95 0.32 -1.70 2.47 0.11 -5.03 114.94 118.82 3niw s ASN 86 Ca 0.13 -1.78 0.10 0.00 0.42 0.00 0.00 52.86 51.72 3niw s ASN 86 Cb -0.18 -2.11 -0.05 0.00 -1.45 0.00 0.00 41.25 37.46 3niw s ASN 86 CO -0.21 -0.75 -0.07 0.68 -3.72 0.00 0.00 177.10 173.03 3niw s VAL 87 N 1.49 2.58 0.37 -5.21 -7.23 -1.26 -4.73 120.40 106.41 3niw s VAL 87 Ca 0.04 -2.13 -0.28 0.00 -1.81 0.00 0.00 61.98 57.80 3niw s VAL 87 Cb -0.27 -2.65 -0.11 0.00 0.56 0.00 0.00 36.38 33.91 3niw s VAL 87 CO 0.02 -0.27 1.47 -0.76 -0.31 0.00 0.00 175.10 175.25 3niw s LEU 88 N -3.64 4.32 0.23 1.32 1.43 -0.58 -4.72 118.68 117.04 3niw s LEU 88 Ca 0.33 3.02 -0.32 0.00 -1.03 0.00 0.00 54.13 56.13 3niw s LEU 88 Cb -0.01 -3.67 -0.12 0.00 0.03 0.00 0.00 46.19 42.42 3niw s LEU 88 CO 0.18 -0.85 1.70 -2.84 0.23 0.00 0.00 176.35 174.76 3niw s PRO 89 N -2.08 4.12 0.38 1.29 0.02 -1.26 -4.64 135.00 132.84 3niw s PRO 89 Ca 0.53 2.60 0.14 0.00 0.02 0.00 0.00 61.00 64.29 3niw s PRO 89 Cb -0.46 -3.06 0.98 0.00 0.02 0.00 0.00 34.50 31.98 3niw s PRO 89 CO 0.62 -0.73 1.82 -0.91 -0.33 0.00 0.00 177.00 177.47 3niw h ASN 90 N 6.40 0.53 0.45 2.53 2.35 -1.95 -2.03 115.58 123.85 3niw h ASN 90 Ca -0.44 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.36 3niw h ASN 90 Cb 1.20 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.54 3niw h ASN 90 CO 0.92 0.19 -0.08 1.05 -1.65 0.00 0.00 177.43 177.87 3niw h GLU 91 N 0.52 0.00 0.00 0.81 9.09 -2.04 -2.37 114.58 120.59 3niw h GLU 91 Ca 0.52 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.86 3niw h GLU 91 Cb 1.13 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.22 3niw h GLU 91 CO -0.25 0.08 -0.34 -0.39 0.05 0.00 0.00 179.01 178.16 3niw h VAL 92 N 0.00 0.60 -0.27 -1.06 -1.51 -1.75 -3.37 116.25 108.89 3niw h VAL 92 Ca -0.00 -1.78 0.02 0.00 -1.23 0.00 0.00 66.70 63.71 3niw h VAL 92 Cb 0.32 2.25 -0.02 0.00 -2.13 0.00 0.00 31.29 31.71 3niw h VAL 92 CO 0.01 0.33 0.12 0.58 -1.23 0.00 0.00 177.57 177.39 3niw h VAL 93 N 0.00 0.98 -0.07 7.19 2.07 -1.53 -1.33 116.25 123.55 3niw h VAL 93 Ca -0.00 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3niw h VAL 93 Cb 1.22 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3niw h VAL 93 CO 0.04 0.05 -0.00 -0.65 0.02 0.00 0.00 177.57 177.03 3niw h PRO 94 N 0.26 0.10 -0.43 1.57 0.11 -1.74 -1.26 132.00 130.61 3niw h PRO 94 Ca 0.11 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.16 3niw h PRO 94 Cb 0.05 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 3niw h PRO 94 CO -0.09 0.12 0.05 0.28 -0.21 0.00 0.00 178.00 178.15 3niw h VAL 95 N 0.10 1.25 -0.34 3.15 2.07 -1.50 -1.53 116.25 119.45 3niw h VAL 95 Ca 0.02 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 3niw h VAL 95 Cb 0.08 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3niw h VAL 95 CO 0.00 0.32 0.14 -0.07 0.02 0.00 0.00 177.57 177.98 3niw h LEU 96 N 0.57 0.45 -0.21 2.57 3.38 -0.69 -1.71 115.31 119.67 3niw h LEU 96 Ca 0.13 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.99 3niw h LEU 96 Cb 0.41 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3niw h LEU 96 CO 0.01 0.48 -0.11 0.22 0.09 0.00 0.00 178.44 179.14 3niw h TYR 97 N 0.40 -0.26 -0.27 1.13 3.20 -1.23 -1.75 116.97 118.18 3niw h TYR 97 Ca 0.11 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 3niw h TYR 97 Cb 0.16 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3niw h TYR 97 CO -0.01 -0.17 -0.08 0.93 -1.64 0.00 0.00 178.16 177.19 3niw h GLU 98 N -0.09 0.44 -0.34 1.82 4.39 -1.16 -0.69 114.58 118.96 3niw h GLU 98 Ca 0.12 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 3niw h GLU 98 Cb 0.26 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3niw h GLU 98 CO -0.27 0.54 -0.06 0.00 -1.16 0.00 0.00 179.01 178.05 3niw h ALA 100 N 0.82 0.22 -0.35 0.00 0.00 -0.95 -1.56 119.26 117.44 3niw h ALA 100 Ca 0.09 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3niw h ALA 100 Cb 0.56 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3niw h ALA 100 CO 0.03 -0.28 0.08 -0.09 0.00 0.00 0.00 179.25 179.00 3niw h ARG 101 N 0.21 0.20 -0.34 0.00 2.43 -1.07 0.14 114.38 115.95 3niw h ARG 101 Ca 0.06 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 3niw h ARG 101 Cb 0.01 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3niw h ARG 101 CO -0.01 0.13 -0.04 1.15 -1.51 0.00 0.00 179.97 179.69 3niw h THR 102 N 0.21 1.21 -0.41 0.20 2.02 -1.02 -2.32 112.91 112.80 3niw h THR 102 Ca 0.17 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.46 3niw h THR 102 Cb 0.18 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3niw h THR 102 CO -0.21 0.30 0.00 0.59 0.37 0.00 0.00 175.52 176.57 3niw n ASN 103 N -4.25 2.70 -3.66 4.18 3.02 -0.60 -4.94 115.26 111.71 3niw n ASN 103 Ca 0.01 -1.93 -0.25 0.00 -0.03 0.00 0.00 54.58 52.38 3niw n ASN 103 Cb 0.28 -0.27 0.07 0.00 -0.61 0.00 0.00 39.78 39.24 3niw n ASN 103 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3niw n HIS 104 N 0.98 -2.68 -4.37 3.10 8.25 -0.32 -5.00 115.22 115.18 3niw n HIS 104 Ca 0.18 0.98 -0.28 0.00 -0.26 0.00 0.00 57.72 58.34 3niw n HIS 104 Cb 0.45 -4.79 -0.13 0.00 1.12 0.00 0.00 29.99 26.64 3niw n HIS 104 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3niw s LEU 105 N -7.21 2.33 0.21 2.41 1.43 -0.11 -5.04 118.68 112.70 3niw s LEU 105 Ca 0.54 -0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 3niw s LEU 105 Cb -0.25 -1.14 -0.08 0.00 0.03 0.00 0.00 46.19 44.75 3niw s LEU 105 CO 0.76 0.15 1.02 -0.44 0.23 0.00 0.00 176.35 178.07 3niw s SER 106 N -2.09 7.44 0.06 2.29 0.01 -1.24 -4.21 113.70 115.94 3niw s SER 106 Ca 0.13 2.04 0.06 0.00 1.31 0.00 0.00 55.95 59.49 3niw s SER 106 Cb -0.10 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 3niw s SER 106 CO 0.06 -0.05 -0.11 -0.51 0.41 0.00 0.00 173.24 173.04 3niw s ILE 107 N -0.74 3.28 0.04 1.44 2.07 -1.26 -1.64 121.20 124.39 3niw s ILE 107 Ca 0.45 -1.10 -0.01 0.00 -1.41 0.00 0.00 60.65 58.58 3niw s ILE 107 Cb -0.28 -2.46 -0.03 0.00 0.13 0.00 0.00 42.46 39.82 3niw s ILE 107 CO 0.35 0.26 -0.03 -1.48 -1.91 0.00 0.00 174.94 172.13 3niw s LEU 108 N -1.75 2.42 0.00 8.50 0.05 -0.22 -4.20 118.68 123.49 3niw s LEU 108 Ca 0.18 -0.87 0.00 0.00 0.05 0.00 0.00 54.13 53.49 3niw s LEU 108 Cb -0.11 0.18 0.00 0.00 -2.05 0.00 0.00 46.19 44.21 3niw s LEU 108 CO 0.09 -0.52 0.00 1.07 -0.55 0.00 0.00 176.35 176.44 3niw n THR 109 N 0.50 0.00 -4.61 5.48 5.66 -0.80 -1.21 114.28 119.30 3niw n THR 109 Ca -0.17 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.61 3niw n THR 109 Cb 0.59 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.23 3niw n THR 109 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 3niw s TYR 110 N -4.71 1.39 -0.33 1.09 2.02 -1.26 -0.99 117.35 114.56 3niw s TYR 110 Ca 0.00 -0.30 -0.02 0.00 -0.37 0.00 0.00 57.07 56.38 3niw s TYR 110 Cb 0.00 -0.87 0.12 0.00 -0.40 0.00 0.00 41.96 40.82 3niw s TYR 110 CO 0.00 0.01 0.18 0.34 -1.57 0.00 0.00 175.55 174.51 3niw s ASP 111 N -0.68 3.19 1.99 2.29 2.15 0.67 -4.86 116.67 121.40 3niw s ASP 111 Ca 0.05 -1.83 0.00 0.00 0.43 0.00 0.00 52.55 51.19 3niw s ASP 111 Cb -0.07 -0.38 0.00 0.00 -0.30 0.00 0.00 42.92 42.18 3niw s ASP 111 CO 0.00 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.25 3niw n GLY 112 N 4.52 4.28 0.00 2.66 0.00 -1.26 -1.68 105.19 113.71 3niw n GLY 112 Ca 0.05 0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.33 3niw n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3niw n ALA 113 N 12.82 2.41 -2.52 4.61 0.00 -1.26 -4.54 120.51 132.04 3niw n ALA 113 Ca 0.00 -0.14 -0.32 0.00 0.00 0.00 0.00 53.44 52.98 3niw n ALA 113 Cb 0.00 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 17.87 3niw n ALA 113 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3niw s GLU 114 N -2.50 2.36 -0.07 0.00 2.02 -0.67 -3.83 118.70 116.00 3niw s GLU 114 Ca 0.29 -0.81 -0.23 0.00 0.02 0.00 0.00 54.97 54.24 3niw s GLU 114 Cb 0.19 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 32.02 3niw s GLU 114 CO 0.42 0.58 0.67 0.42 0.02 0.00 0.00 175.26 177.37 3niw s ILE 115 N -0.92 5.06 -0.15 -1.63 1.01 -0.15 -0.24 121.20 124.18 3niw s ILE 115 Ca 0.15 1.37 -0.03 0.00 0.00 0.00 0.00 60.65 62.15 3niw s ILE 115 Cb -0.11 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 3niw s ILE 115 CO 0.05 0.27 -0.07 -0.69 0.00 0.00 0.00 174.94 174.50 3niw s VAL 116 N 0.75 3.55 0.18 2.92 1.01 -0.16 0.18 120.40 128.83 3niw s VAL 116 Ca 0.36 -0.48 -0.20 0.00 0.00 0.00 0.00 61.98 61.66 3niw s VAL 116 Cb -0.17 -2.54 0.04 0.00 0.00 0.00 0.00 36.38 33.71 3niw s VAL 116 CO 0.17 0.49 0.56 0.28 0.00 0.00 0.00 175.10 176.60 3niw s THR 117 N 0.50 0.02 -1.75 3.92 -1.32 -1.15 -1.90 115.64 113.96 3niw s THR 117 Ca -0.05 -0.50 0.25 0.00 -1.21 0.00 0.00 61.69 60.17 3niw s THR 117 Cb -0.15 -1.37 0.13 0.00 -1.51 0.00 0.00 72.50 69.61 3niw s THR 117 CO 0.03 -0.09 1.37 -0.62 -2.21 0.00 0.00 174.62 173.10 3niw n GLU 118 N -0.35 0.85 -3.52 7.08 1.02 -1.26 -1.54 120.64 122.92 3niw n GLU 118 Ca -0.13 -0.59 -0.28 0.00 -0.02 0.00 0.00 57.16 56.15 3niw n GLU 118 Cb 0.63 -1.49 -0.11 0.00 -0.02 0.00 0.00 31.44 30.45 3niw n GLU 118 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3niw s ASN 119 N -2.56 2.41 0.19 1.62 2.47 -1.26 -4.74 114.94 113.06 3niw s ASN 119 Ca 0.21 -3.04 0.21 0.00 0.42 0.00 0.00 52.86 50.65 3niw s ASN 119 Cb 0.19 -0.69 0.88 0.00 -1.45 0.00 0.00 41.25 40.18 3niw s ASN 119 CO 0.57 -0.18 1.64 -1.54 -3.72 0.00 0.00 177.10 173.87 3niw n SER 120 N 2.92 0.48 -0.56 -4.21 3.41 -1.26 -2.22 113.62 112.19 3niw n SER 120 Ca 0.24 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.60 3niw n SER 120 Cb 0.43 -0.72 0.34 0.00 -0.26 0.00 0.00 64.21 64.00 3niw n SER 120 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3niw n LEU 121 N -2.03 1.83 -4.66 1.04 4.77 -1.26 -4.69 117.00 112.00 3niw n LEU 121 Ca 0.02 -0.60 -0.43 0.00 -0.03 0.00 0.00 56.01 54.98 3niw n LEU 121 Cb 0.21 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 3niw n LEU 121 CO 0.18 0.31 1.25 -0.62 -1.33 0.00 0.00 177.39 177.18 3niw s ASP 122 N -2.14 6.78 0.53 -1.43 -1.08 -0.94 -4.90 116.67 113.49 3niw s ASP 122 Ca 0.31 2.00 0.24 0.00 -0.52 0.00 0.00 52.55 54.58 3niw s ASP 122 Cb 0.20 -2.54 1.40 0.00 -1.46 0.00 0.00 42.92 40.52 3niw s ASP 122 CO 0.39 -0.86 2.03 -0.65 0.52 0.00 0.00 175.17 176.60 3niw h PRO 123 N 8.98 0.00 -0.04 4.34 0.11 -1.90 -1.39 132.00 142.09 3niw h PRO 123 Ca -0.34 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.58 3niw h PRO 123 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3niw h PRO 123 CO 0.96 0.00 -0.79 1.88 -0.21 0.00 0.00 178.00 179.84 3niw h TYR 124 N 0.00 0.44 -0.37 0.65 0.05 -1.96 -1.30 116.97 114.49 3niw h TYR 124 Ca 0.19 -0.21 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 3niw h TYR 124 Cb 0.78 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.45 3niw h TYR 124 CO 0.00 0.98 0.20 0.28 -1.05 0.00 0.00 178.16 178.57 3niw h VAL 125 N 0.20 1.14 -0.26 -2.88 2.07 -1.59 -2.92 116.25 112.01 3niw h VAL 125 Ca -0.04 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 3niw h VAL 125 Cb 1.38 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 3niw h VAL 125 CO 0.13 0.15 -0.01 1.56 0.02 0.00 0.00 177.57 179.41 3niw h GLN 126 N 0.46 0.39 -0.73 1.57 4.20 -1.18 -1.33 115.11 118.50 3niw h GLN 126 Ca 0.13 -0.07 0.08 0.00 0.06 0.00 0.00 58.65 58.84 3niw h GLN 126 Cb 0.06 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.71 3niw h GLN 126 CO -0.02 0.44 0.41 0.87 -0.67 0.00 0.00 178.83 179.85 3niw h LYS 127 N 0.38 0.69 -0.45 1.46 1.57 -1.05 0.12 116.57 119.29 3niw h LYS 127 Ca 0.09 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 3niw h LYS 127 Cb 0.28 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3niw h LYS 127 CO 0.01 0.46 -0.28 1.49 -0.57 0.00 0.00 179.45 180.56 3niw h GLU 128 N 0.72 0.98 -0.31 3.15 4.57 -1.14 -1.09 114.58 121.46 3niw h GLU 128 Ca 0.34 -0.45 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 3niw h GLU 128 Cb 0.27 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 3niw h GLU 128 CO -0.22 1.13 0.15 0.00 -1.18 0.00 0.00 179.01 178.89 3niw h ALA 129 N 0.84 0.40 -0.34 2.92 0.00 -0.82 -2.11 119.26 120.14 3niw h ALA 129 Ca 0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3niw h ALA 129 Cb 0.86 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3niw h ALA 129 CO 0.08 -0.05 0.10 0.74 0.00 0.00 0.00 179.25 180.12 3niw h PHE 130 N 0.36 0.55 -0.60 0.00 0.04 -0.72 0.77 116.94 117.34 3niw h PHE 130 Ca 0.11 -0.06 0.11 0.00 2.80 0.00 0.00 57.97 60.93 3niw h PHE 130 Cb 0.11 -0.16 -0.08 0.00 2.20 0.00 0.00 35.95 38.01 3niw h PHE 130 CO -0.02 0.55 0.14 1.25 -0.60 0.00 0.00 178.31 179.63 3niw h LEU 131 N 0.39 0.03 -0.47 1.54 5.85 -1.14 -2.50 115.31 119.01 3niw h LEU 131 Ca 0.11 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3niw h LEU 131 Cb 0.26 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3niw h LEU 131 CO -0.00 0.02 -0.19 0.59 -0.34 0.00 0.00 178.44 178.51 3niw n ASN 132 N -5.11 0.92 -2.85 1.25 3.02 -0.80 -5.03 115.26 106.65 3niw n ASN 132 Ca 0.09 -0.86 -0.02 0.00 -0.03 0.00 0.00 54.58 53.76 3niw n ASN 132 Cb 0.32 0.07 -0.02 0.00 -0.61 0.00 0.00 39.78 39.54 3niw n ASN 132 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3niw n LYS 133 N -0.66 -2.79 -4.53 3.52 5.02 0.25 -4.11 118.16 114.85 3niw n LYS 133 Ca 0.13 2.30 -0.30 0.00 -2.02 0.00 0.00 58.31 58.43 3niw n LYS 133 Cb 0.33 -3.44 -0.13 0.00 -0.02 0.00 0.00 35.03 31.77 3niw n LYS 133 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3niw s ALA 135 N -0.82 2.49 -0.21 7.82 0.00 -1.25 -4.99 121.76 124.81 3niw s ALA 135 Ca -0.10 -1.33 -0.10 0.00 0.00 0.00 0.00 51.96 50.43 3niw s ALA 135 Cb 0.01 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.52 3niw s ALA 135 CO 0.47 0.56 0.12 0.42 0.00 0.00 0.00 175.76 177.33 3niw s ILE 136 N -1.00 5.25 -0.39 0.00 1.01 -1.26 -0.98 121.20 123.82 3niw s ILE 136 Ca 0.15 0.13 -0.13 0.00 0.00 0.00 0.00 60.65 60.80 3niw s ILE 136 Cb -0.10 -3.41 0.02 0.00 0.01 0.00 0.00 42.46 38.98 3niw s ILE 136 CO 0.06 0.41 0.26 -0.60 0.00 0.00 0.00 174.94 175.08 3niw s ARG 137 N 0.60 2.94 0.14 2.79 3.52 0.13 -4.93 118.95 124.14 3niw s ARG 137 Ca 0.07 -1.02 -0.20 0.00 -0.13 0.00 0.00 55.73 54.44 3niw s ARG 137 Cb -0.12 -3.88 -0.07 0.00 -1.56 0.00 0.00 34.95 29.31 3niw s ARG 137 CO 0.00 -0.72 0.65 -2.00 -0.81 0.00 0.00 175.30 172.43 3niw s GLU 138 N 1.64 4.27 0.12 5.12 2.12 -1.26 -2.91 118.70 127.79 3niw s GLU 138 Ca 0.04 0.83 0.04 0.00 0.36 0.00 0.00 54.97 56.24 3niw s GLU 138 Cb -0.19 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 3niw s GLU 138 CO 0.09 0.54 -0.11 -0.08 -0.54 0.00 0.00 175.26 175.17 3niw s THR 139 N -1.27 1.08 -2.94 -1.70 -1.32 -0.59 -4.96 115.64 103.95 3niw s THR 139 Ca 0.35 -1.80 0.24 0.00 -1.21 0.00 0.00 61.69 59.27 3niw s THR 139 Cb -0.19 -1.56 0.23 0.00 -1.51 0.00 0.00 72.50 69.47 3niw s THR 139 CO 0.21 -0.60 1.31 0.59 -2.21 0.00 0.00 174.62 173.92 3niw n ASN 140 N 0.29 2.84 -3.24 8.08 5.03 -1.26 -4.10 115.26 122.89 3niw n ASN 140 Ca -0.14 -1.94 -0.24 0.00 0.87 0.00 0.00 54.58 53.13 3niw n ASN 140 Cb 0.59 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 39.27 3niw n ASN 140 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3niw n ASP 141 N 1.22 -0.54 -0.21 6.41 8.00 -1.26 -5.03 116.55 125.14 3niw n ASP 141 Ca 0.14 -2.57 -0.03 0.00 0.71 0.00 0.00 54.79 53.04 3niw n ASP 141 Cb 0.57 -0.33 0.03 0.00 -0.02 0.00 0.00 41.12 41.37 3niw n ASP 141 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3niw h PHE 142 N 4.88 -0.73 0.00 1.24 3.57 -1.93 -1.28 116.94 122.68 3niw h PHE 142 Ca 0.16 0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 3niw h PHE 142 Cb 0.92 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 3niw h PHE 142 CO 0.28 -0.35 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.71 3niw h LEU 143 N -0.11 0.00 0.15 0.59 3.38 -1.96 -2.20 115.31 115.17 3niw h LEU 143 Ca 0.26 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.94 3niw h LEU 143 Cb 0.54 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.29 3niw h LEU 143 CO -0.69 0.22 -1.36 0.74 0.09 0.00 0.00 178.44 177.45 3niw h THR 144 N 0.00 1.37 -0.01 0.22 2.02 -1.78 -3.37 112.91 111.37 3niw h THR 144 Ca -0.00 -2.94 0.00 0.00 0.77 0.00 0.00 66.41 64.24 3niw h THR 144 Cb 0.56 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.89 3niw h THR 144 CO 0.03 0.86 -0.65 0.47 0.37 0.00 0.00 175.52 176.60 3niw n ASP 145 N -3.54 1.26 -4.87 4.18 8.00 -0.57 -4.90 116.55 116.12 3niw n ASP 145 Ca -0.12 -1.03 -0.31 0.00 0.71 0.00 0.00 54.79 54.04 3niw n ASP 145 Cb 1.04 0.59 -0.01 0.00 -0.02 0.00 0.00 41.12 42.72 3niw n ASP 145 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3niw s ILE 146 N -2.76 4.69 -0.29 0.53 -4.36 -0.86 -5.06 121.20 113.09 3niw s ILE 146 Ca 0.14 0.88 -0.10 0.00 -0.26 0.00 0.00 60.65 61.31 3niw s ILE 146 Cb 0.17 -3.81 -0.02 0.00 1.25 0.00 0.00 42.46 40.05 3niw s ILE 146 CO 0.70 -0.90 0.15 -0.89 0.24 0.00 0.00 174.94 174.23 3niw s THR 147 N -2.86 4.73 0.29 8.37 2.01 -1.26 -5.02 115.64 121.90 3niw s THR 147 Ca 0.55 -0.21 -0.11 0.00 0.31 0.00 0.00 61.69 62.23 3niw s THR 147 Cb -0.10 -3.33 -0.07 0.00 0.01 0.00 0.00 72.50 69.00 3niw s THR 147 CO 0.43 0.17 0.64 -0.76 -0.69 0.00 0.00 174.62 174.41 3niw s LEU 148 N 1.65 4.07 0.64 4.42 1.43 -1.26 -4.28 118.68 125.36 3niw s LEU 148 Ca 0.06 1.03 -0.11 0.00 -1.03 0.00 0.00 54.13 54.08 3niw s LEU 148 Cb -0.16 -3.83 -0.02 0.00 0.03 0.00 0.00 46.19 42.21 3niw s LEU 148 CO 0.07 -0.18 1.04 -2.16 0.23 0.00 0.00 176.35 175.35 3niw s PRO 149 N -3.11 3.37 0.09 1.29 0.04 -1.26 -5.18 135.00 130.23 3niw s PRO 149 Ca 0.49 0.63 0.08 0.00 0.04 0.00 0.00 61.00 62.24 3niw s PRO 149 Cb -0.11 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 3niw s PRO 149 CO 0.23 -0.70 -0.16 0.14 0.04 0.00 0.00 177.00 176.55 3niw s VAL 150 N -3.21 2.94 0.17 -0.36 -7.23 -1.26 -5.03 120.40 106.42 3niw s VAL 150 Ca 0.56 -1.34 -0.03 0.00 -1.81 0.00 0.00 61.98 59.35 3niw s VAL 150 Cb -0.11 -2.32 -0.10 0.00 0.56 0.00 0.00 36.38 34.42 3niw s VAL 150 CO 0.53 0.19 1.44 0.00 -0.31 0.00 0.00 175.10 176.94 3niw h ALA 151 N 4.00 0.59 -2.93 1.32 0.00 -1.91 -1.55 119.26 118.78 3niw h ALA 151 Ca -0.49 -0.58 0.03 0.00 0.00 0.00 0.00 54.91 53.88 3niw h ALA 151 Cb 1.16 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 3niw h ALA 151 CO 0.48 0.73 0.25 -1.59 0.00 0.00 0.00 179.25 179.11 3niw s LYS 152 N -3.75 1.47 0.19 0.00 -2.85 -1.26 -3.91 119.74 109.63 3niw s LYS 152 Ca -0.07 -0.70 0.10 0.00 -1.00 0.00 0.00 55.97 54.30 3niw s LYS 152 Cb 0.10 0.58 -0.04 0.00 -2.06 0.00 0.00 37.83 36.41 3niw s LYS 152 CO 0.85 -0.66 -0.20 0.00 0.10 0.00 0.00 175.35 175.44 3niw s LEU 154 N -2.82 2.10 -0.13 0.00 1.43 -0.35 -1.19 118.68 117.71 3niw s LEU 154 Ca 0.19 -0.49 -0.06 0.00 -1.03 0.00 0.00 54.13 52.74 3niw s LEU 154 Cb -0.06 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 3niw s LEU 154 CO 0.08 0.26 0.09 -0.63 0.23 0.00 0.00 176.35 176.39 3niw s ILE 155 N -0.26 5.09 0.11 -0.59 1.01 -0.37 -1.05 121.20 125.14 3niw s ILE 155 Ca -0.01 0.06 0.06 0.00 0.00 0.00 0.00 60.65 60.76 3niw s ILE 155 Cb -0.13 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 3niw s ILE 155 CO 0.03 0.56 -0.14 0.68 0.00 0.00 0.00 174.94 176.07 3niw s VAL 156 N -0.55 1.31 0.00 2.92 -7.23 -0.65 -0.53 120.40 115.67 3niw s VAL 156 Ca 0.11 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 3niw s VAL 156 Cb -0.12 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.35 3niw s VAL 156 CO 0.02 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 3niw n GLY 157 N 0.66 0.79 3.78 2.32 0.00 -0.72 -3.66 105.19 108.36 3niw n GLY 157 Ca -0.16 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 3niw n GLY 157 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3niw s ASP 158 N 0.00 6.16 0.27 1.61 2.15 -1.26 -4.24 116.67 121.36 3niw s ASP 158 Ca 0.00 3.03 -0.01 0.00 0.43 0.00 0.00 52.55 56.00 3niw s ASP 158 Cb 0.00 -2.66 0.60 0.00 -0.30 0.00 0.00 42.92 40.56 3niw s ASP 158 CO 0.00 -1.00 1.66 0.00 -0.17 0.00 0.00 175.17 175.66 3niw h ALA 159 N 2.75 1.13 -0.06 3.66 0.00 -1.92 -0.18 119.26 124.64 3niw h ALA 159 Ca -0.51 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3niw h ALA 159 Cb 1.25 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 3niw h ALA 159 CO 0.63 -0.41 -0.03 0.78 0.00 0.00 0.00 179.25 180.22 3niw h GLY 160 N 0.24 0.09 1.89 0.00 0.00 -1.89 -1.50 103.07 101.90 3niw h GLY 160 Ca 0.49 -0.04 -0.18 0.00 0.00 0.00 0.00 47.33 47.60 3niw h GLY 160 CO -0.60 0.04 -0.92 0.50 0.00 0.00 0.00 176.54 175.56 3niw h LYS 161 N 0.09 0.00 0.04 4.80 1.79 -1.40 -3.36 116.57 118.54 3niw h LYS 161 Ca 0.02 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.23 3niw h LYS 161 Cb 0.12 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.78 3niw h LYS 161 CO 0.00 0.79 -1.08 -0.07 -1.08 0.00 0.00 179.45 178.02 3niw h LEU 162 N 0.00 0.73 -0.44 2.94 3.38 -0.73 -3.35 115.31 117.84 3niw h LEU 162 Ca -0.03 -0.62 0.09 0.00 0.09 0.00 0.00 57.88 57.40 3niw h LEU 162 Cb 1.67 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 42.11 3niw h LEU 162 CO 0.10 1.43 -0.08 0.40 0.09 0.00 0.00 178.44 180.38 3niw h ILE 163 N 0.28 0.59 -0.25 1.22 2.04 -1.51 0.14 117.51 120.02 3niw h ILE 163 Ca -0.13 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 3niw h ILE 163 Cb 1.74 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 3niw h ILE 163 CO 0.20 0.00 -0.12 1.55 0.00 0.00 0.00 178.15 179.78 3niw h PRO 164 N 0.03 0.41 -0.19 2.37 0.13 -1.77 -0.97 132.00 132.00 3niw h PRO 164 Ca 0.21 -0.11 -0.02 0.00 -0.87 0.00 0.00 66.00 65.21 3niw h PRO 164 Cb 0.32 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 3niw h PRO 164 CO -0.43 0.53 0.03 0.28 -0.23 0.00 0.00 178.00 178.19 3niw h VAL 165 N 0.38 1.23 -0.49 1.56 2.07 -1.37 -0.61 116.25 119.02 3niw h VAL 165 Ca 0.07 -0.74 0.08 0.00 0.82 0.00 0.00 66.70 66.93 3niw h VAL 165 Cb 0.45 1.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.50 3niw h VAL 165 CO 0.03 0.23 0.08 -0.08 0.02 0.00 0.00 177.57 177.85 3niw h GLU 166 N 0.11 0.21 -0.20 1.57 4.81 -0.69 -0.54 114.58 119.85 3niw h GLU 166 Ca 0.06 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 3niw h GLU 166 Cb 0.32 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3niw h GLU 166 CO 0.00 0.14 -0.22 0.77 -0.73 0.00 0.00 179.01 178.98 3niw h SER 167 N 0.22 0.36 0.16 1.04 0.02 -0.87 -0.04 113.55 114.44 3niw h SER 167 Ca 0.25 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3niw h SER 167 Cb 0.33 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3niw h SER 167 CO -0.33 0.59 -0.08 -0.33 -1.14 0.00 0.00 176.83 175.54 3niw h GLU 168 N 0.33 -0.20 -0.79 3.45 5.08 -0.85 -3.34 114.58 118.26 3niw h GLU 168 Ca 0.05 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3niw h GLU 168 Cb 0.57 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 3niw h GLU 168 CO 0.04 0.23 0.52 -0.07 -1.00 0.00 0.00 179.01 178.73 3niw h LEU 169 N -0.82 0.87 -0.80 1.33 3.38 -1.02 -0.91 115.31 117.34 3niw h LEU 169 Ca -0.02 -0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.12 3niw h LEU 169 Cb 0.53 -0.21 -0.14 0.00 0.09 0.00 0.00 40.66 40.93 3niw h LEU 169 CO 0.04 0.61 -0.03 0.00 0.09 0.00 0.00 178.44 179.15 3niw n ILE 171 N -5.40 1.62 -0.26 0.00 0.13 -1.11 -2.98 119.36 111.37 3niw n ILE 171 Ca 0.15 -0.63 0.07 0.00 -1.10 0.00 0.00 62.75 61.24 3niw n ILE 171 Cb 0.51 -1.51 0.31 0.00 -0.84 0.00 0.00 39.64 38.11 3niw n ILE 171 CO 0.00 0.00 0.00 -0.09 2.80 0.00 0.00 176.55 179.26 3niw h ARG 172 N 0.03 0.83 -0.26 9.51 2.43 -1.06 -2.43 114.38 123.43 3niw h ARG 172 Ca -0.50 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 58.54 3niw h ARG 172 Cb 1.98 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 31.29 3niw h ARG 172 CO 0.00 0.55 -0.06 1.28 -1.51 0.00 0.00 179.97 180.23 3niw n LEU 173 N -4.51 3.76 -4.66 3.80 4.77 -0.30 -5.01 117.00 114.85 3niw n LEU 173 Ca 0.14 -3.43 -0.45 0.00 -0.03 0.00 0.00 56.01 52.24 3niw n LEU 173 Cb 0.28 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 3niw n LEU 173 CO 0.32 0.99 1.00 1.67 -1.33 0.00 0.00 177.39 180.04 3niw n GLN 174 N -0.95 1.96 0.00 3.23 7.27 -0.92 -0.95 117.38 127.02 3niw n GLN 174 Ca 0.26 0.70 0.00 0.00 0.07 0.00 0.00 57.00 58.03 3niw n GLN 174 Cb 0.92 -2.35 0.00 0.00 2.41 0.00 0.00 30.24 31.22 3niw n GLN 174 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3niw n GLY 175 N 2.25 3.23 0.07 1.69 0.00 -1.26 -4.79 105.19 106.38 3niw n GLY 175 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 3niw n GLY 175 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3niw n LYS 176 N -1.63 1.02 -4.17 1.61 4.76 -0.13 -4.95 118.16 114.67 3niw n LYS 176 Ca 0.00 0.05 -0.11 0.00 -2.87 0.00 0.00 58.31 55.39 3niw n LYS 176 Cb 0.00 -1.32 -0.10 0.00 -1.84 0.00 0.00 35.03 31.77 3niw n LYS 176 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3niw s ILE 177 N -2.32 0.23 0.15 -0.18 -4.36 -0.84 -4.11 121.20 109.78 3niw s ILE 177 Ca -0.16 -1.93 0.08 0.00 -0.26 0.00 0.00 60.65 58.39 3niw s ILE 177 Cb 0.05 -2.07 -0.04 0.00 1.25 0.00 0.00 42.46 41.65 3niw s ILE 177 CO 0.43 -0.46 -0.10 0.20 0.24 0.00 0.00 174.94 175.25 3niw s ASN 178 N -3.08 4.29 -0.01 4.36 0.02 -0.14 -4.64 114.94 115.74 3niw s ASN 178 Ca 0.24 -0.51 0.04 0.00 -1.02 0.00 0.00 52.86 51.60 3niw s ASN 178 Cb 0.07 -0.75 -0.01 0.00 0.02 0.00 0.00 41.25 40.58 3niw s ASN 178 CO 0.02 0.13 -0.12 0.68 0.02 0.00 0.00 177.10 177.83 3niw s VAL 179 N -1.52 0.96 0.18 1.60 -7.23 -1.26 -1.74 120.40 111.38 3niw s VAL 179 Ca 0.23 -0.51 -0.23 0.00 -1.81 0.00 0.00 61.98 59.66 3niw s VAL 179 Cb -0.10 -0.81 0.06 0.00 0.56 0.00 0.00 36.38 36.09 3niw s VAL 179 CO 0.15 0.27 0.70 0.72 -0.31 0.00 0.00 175.10 176.63 3niw s PHE 180 N -0.23 -0.36 -0.20 2.82 -0.12 -0.98 -5.01 117.98 113.90 3niw s PHE 180 Ca 0.04 0.07 -0.08 0.00 -0.05 0.00 0.00 56.93 56.91 3niw s PHE 180 Cb -0.05 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.92 3niw s PHE 180 CO -0.00 -0.95 0.07 1.03 -0.05 0.00 0.00 175.22 175.32 3niw s ARG 181 N -3.70 3.90 -0.09 1.99 0.52 -1.26 -0.16 118.95 120.14 3niw s ARG 181 Ca 0.06 -0.38 0.04 0.00 -0.52 0.00 0.00 55.73 54.93 3niw s ARG 181 Cb -0.03 -3.26 -0.24 0.00 0.52 0.00 0.00 34.95 31.94 3niw s ARG 181 CO -0.04 0.14 0.46 -1.13 0.02 0.00 0.00 175.30 174.75 3niw n SER 182 N 3.95 1.43 -4.41 0.23 3.41 -0.97 -4.87 113.62 112.39 3niw n SER 182 Ca -0.16 0.28 -0.21 0.00 -0.26 0.00 0.00 58.87 58.52 3niw n SER 182 Cb 0.52 -0.38 -0.10 0.00 -0.26 0.00 0.00 64.21 63.99 3niw n SER 182 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3niw s GLU 183 N -2.57 1.51 0.56 4.33 0.41 -1.26 -5.01 118.70 116.67 3niw s GLU 183 Ca -0.14 -1.72 0.26 0.00 -0.41 0.00 0.00 54.97 52.96 3niw s GLU 183 Cb 0.07 -1.27 1.50 0.00 -1.78 0.00 0.00 34.13 32.64 3niw s GLU 183 CO 0.79 0.14 2.04 -1.35 -0.49 0.00 0.00 175.26 176.40 3niw h PRO 184 N 2.36 0.00 -0.34 0.39 0.11 -1.96 -2.41 132.00 130.16 3niw h PRO 184 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3niw h PRO 184 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3niw h PRO 184 CO 0.64 0.00 0.00 2.48 -0.21 0.00 0.00 178.00 180.91 3niw n TYR 185 N -4.09 0.44 -3.98 0.65 0.18 -1.26 -3.92 117.16 105.18 3niw n TYR 185 Ca 0.05 -0.37 -0.34 0.00 1.88 0.00 0.00 57.90 59.11 3niw n TYR 185 Cb 0.45 -0.02 -0.14 0.00 -0.38 0.00 0.00 39.34 39.25 3niw n TYR 185 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 3niw s PHE 186 N -1.05 3.06 -0.37 -3.48 0.08 -0.91 -1.75 117.98 113.57 3niw s PHE 186 Ca 0.26 -1.61 -0.15 0.00 0.12 0.00 0.00 56.93 55.55 3niw s PHE 186 Cb 0.14 -2.04 -0.00 0.00 -0.57 0.00 0.00 43.02 40.55 3niw s PHE 186 CO 0.19 -0.74 0.36 -1.17 -0.10 0.00 0.00 175.22 173.76 3niw s LEU 187 N 1.31 4.63 -0.08 -0.37 2.96 0.31 -2.28 118.68 125.16 3niw s LEU 187 Ca -0.00 -0.44 -0.22 0.00 -0.22 0.00 0.00 54.13 53.25 3niw s LEU 187 Cb -0.17 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 3niw s LEU 187 CO -0.05 -0.40 0.63 -1.61 -1.32 0.00 0.00 176.35 173.60 3niw s GLU 188 N 1.97 4.40 -0.31 1.98 0.41 0.78 -1.24 118.70 126.69 3niw s GLU 188 Ca 0.10 0.74 0.03 0.00 -0.41 0.00 0.00 54.97 55.43 3niw s GLU 188 Cb -0.17 -3.44 0.09 0.00 -1.78 0.00 0.00 34.13 28.83 3niw s GLU 188 CO 0.12 0.12 0.01 -0.51 -0.49 0.00 0.00 175.26 174.50 3niw s LEU 189 N 0.67 3.92 0.16 1.80 1.43 -0.33 -2.32 118.68 124.01 3niw s LEU 189 Ca 0.34 -1.82 0.06 0.00 -1.03 0.00 0.00 54.13 51.67 3niw s LEU 189 Cb -0.17 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 3niw s LEU 189 CO 0.16 -0.33 -0.12 0.68 0.23 0.00 0.00 176.35 176.97 3niw s VAL 190 N 1.09 1.39 0.87 -1.59 -7.23 -0.71 -2.24 120.40 111.98 3niw s VAL 190 Ca 0.05 -2.05 -0.11 0.00 -1.81 0.00 0.00 61.98 58.05 3niw s VAL 190 Cb -0.19 -1.86 0.12 0.00 0.56 0.00 0.00 36.38 35.01 3niw s VAL 190 CO -0.09 -0.64 1.10 -2.16 -0.31 0.00 0.00 175.10 172.99 3niw s PRO 191 N -3.53 1.42 0.73 4.82 0.04 -1.26 -0.97 135.00 136.26 3niw s PRO 191 Ca 0.17 1.09 -0.13 0.00 0.04 0.00 0.00 61.00 62.16 3niw s PRO 191 Cb 0.00 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.77 3niw s PRO 191 CO 0.03 -2.20 1.14 -0.65 0.04 0.00 0.00 177.00 175.35 3niw s GLN 192 N -4.84 2.29 -0.09 4.56 -0.21 -1.26 -4.09 119.66 116.03 3niw s GLN 192 Ca 0.64 1.46 0.00 0.00 0.02 0.00 0.00 55.36 57.47 3niw s GLN 192 Cb -0.19 -1.88 0.00 0.00 1.00 0.00 0.00 33.01 31.94 3niw s GLN 192 CO 0.57 -1.66 0.00 0.41 -2.12 0.00 0.00 175.29 172.49 3niw n GLY 193 N -0.34 0.46 3.66 3.09 0.00 -1.26 -5.02 105.19 105.79 3niw n GLY 193 Ca 0.11 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 3niw n GLY 193 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3niw s ILE 194 N -2.02 4.63 -0.29 -0.61 -1.09 -1.26 -4.97 121.20 115.60 3niw s ILE 194 Ca 0.00 1.96 -0.14 0.00 -2.23 0.00 0.00 60.65 60.24 3niw s ILE 194 Cb 0.00 -4.31 0.10 0.00 -1.58 0.00 0.00 42.46 36.67 3niw s ILE 194 CO 0.00 -0.22 0.69 -0.62 -1.23 0.00 0.00 174.94 173.56 3niw s ASP 195 N 1.31 -0.99 0.27 3.58 -1.08 -1.25 -5.05 116.67 113.46 3niw s ASP 195 Ca 0.45 1.50 -0.01 0.00 -0.52 0.00 0.00 52.55 53.96 3niw s ASP 195 Cb -0.15 1.66 0.45 0.00 -1.46 0.00 0.00 42.92 43.42 3niw s ASP 195 CO 0.08 -0.23 1.87 0.11 0.52 0.00 0.00 175.17 177.52 3niw h LYS 196 N 7.27 1.10 -0.79 4.34 1.57 -1.84 -2.11 116.57 126.11 3niw h LYS 196 Ca -0.26 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 3niw h LYS 196 Cb 1.19 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 33.21 3niw h LYS 196 CO 0.14 0.73 0.40 0.00 -0.57 0.00 0.00 179.45 180.15 3niw h ALA 197 N 1.48 1.01 -0.22 3.86 0.00 -1.91 0.12 119.26 123.59 3niw h ALA 197 Ca 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3niw h ALA 197 Cb 0.24 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3niw h ALA 197 CO -0.19 0.55 0.08 1.25 0.00 0.00 0.00 179.25 180.94 3niw h LEU 198 N 1.10 0.31 -0.90 0.00 5.85 -1.80 -0.74 115.31 119.14 3niw h LEU 198 Ca 0.27 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 3niw h LEU 198 Cb 0.08 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3niw h LEU 198 CO -0.04 0.40 0.22 0.28 -0.34 0.00 0.00 178.44 178.97 3niw h SER 199 N 0.20 0.96 -0.64 1.25 0.02 -1.14 -1.91 113.55 112.27 3niw h SER 199 Ca 0.07 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3niw h SER 199 Cb 0.20 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 3niw h SER 199 CO -0.00 0.89 0.42 0.25 -1.14 0.00 0.00 176.83 177.24 3niw h LEU 200 N 1.00 0.75 -0.67 5.07 5.85 -0.60 -1.16 115.31 125.54 3niw h LEU 200 Ca 0.22 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.96 3niw h LEU 200 Cb 0.27 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 3niw h LEU 200 CO -0.01 0.55 0.38 -1.28 -0.34 0.00 0.00 178.44 177.75 3niw h SER 201 N 0.87 0.59 -0.49 1.25 0.87 -0.52 0.12 113.55 116.24 3niw h SER 201 Ca 0.23 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 3niw h SER 201 Cb -0.08 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 3niw h SER 201 CO -0.05 0.39 0.28 0.58 -0.53 0.00 0.00 176.83 177.49 3niw h VAL 202 N 0.72 1.17 -0.44 2.23 2.07 -0.99 -1.35 116.25 119.66 3niw h VAL 202 Ca 0.29 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.43 3niw h VAL 202 Cb 0.15 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3niw h VAL 202 CO -0.16 0.18 0.24 0.25 0.02 0.00 0.00 177.57 178.09 3niw h LEU 203 N 0.65 0.36 -0.58 2.57 5.85 -0.54 -1.57 115.31 122.06 3niw h LEU 203 Ca 0.17 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 3niw h LEU 203 Cb 0.04 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3niw h LEU 203 CO -0.03 0.26 0.09 -0.07 -0.34 0.00 0.00 178.44 178.35 3niw h LEU 204 N 0.47 0.93 -0.53 2.25 3.38 -0.47 -1.41 115.31 119.94 3niw h LEU 204 Ca 0.18 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.95 3niw h LEU 204 Cb 0.06 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3niw h LEU 204 CO -0.11 0.96 0.24 -0.08 0.09 0.00 0.00 178.44 179.54 3niw h GLU 205 N 0.87 0.44 -0.40 1.13 4.57 -1.11 0.12 114.58 120.19 3niw h GLU 205 Ca 0.18 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.26 3niw h GLU 205 Cb 0.43 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3niw h GLU 205 CO 0.01 0.29 -0.03 -0.97 -1.18 0.00 0.00 179.01 177.14 3niw h ASN 206 N 0.46 0.73 -0.11 1.04 -0.73 -0.85 -3.04 115.58 113.08 3niw h ASN 206 Ca 0.25 -0.33 0.00 0.00 1.87 0.00 0.00 56.30 58.09 3niw h ASN 206 Cb 0.21 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.60 3niw h ASN 206 CO -0.20 0.88 0.00 2.30 -0.37 0.00 0.00 177.43 180.03 3niw n ILE 207 N -4.40 0.12 -1.87 2.57 -5.35 -0.57 -5.11 119.36 104.75 3niw n ILE 207 Ca -0.01 -0.33 -0.02 0.00 -0.27 0.00 0.00 62.75 62.12 3niw n ILE 207 Cb 0.31 0.50 0.00 0.00 -1.74 0.00 0.00 39.64 38.71 3niw n ILE 207 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3niw n GLY 208 N 1.17 -1.10 3.12 3.28 0.00 0.02 -5.06 105.19 106.62 3niw n GLY 208 Ca 0.17 0.24 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 3niw n GLY 208 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3niw s THR 210 N -1.35 0.12 0.48 2.61 -1.32 -1.26 -5.02 115.64 109.90 3niw s THR 210 Ca 0.06 -0.96 0.19 0.00 -1.21 0.00 0.00 61.69 59.77 3niw s THR 210 Cb -0.02 -0.76 0.35 0.00 -1.51 0.00 0.00 72.50 70.56 3niw s THR 210 CO 0.21 -0.53 1.99 0.08 -2.21 0.00 0.00 174.62 174.17 3niw h ARG 211 N 3.81 0.20 0.00 7.08 0.11 -1.97 -1.57 114.38 122.04 3niw h ARG 211 Ca -0.32 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 59.75 3niw h ARG 211 Cb 1.19 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 32.22 3niw h ARG 211 CO 0.47 0.13 -0.01 0.93 0.10 0.00 0.00 179.97 181.60 3niw h GLU 212 N 0.21 0.00 -0.28 0.08 3.07 -1.93 0.07 114.58 115.80 3niw h GLU 212 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 3niw h GLU 212 Cb 0.71 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 3niw h GLU 212 CO -0.05 0.01 0.00 0.39 -1.40 0.00 0.00 179.01 177.96 3niw n GLU 213 N -3.20 2.01 -4.79 2.33 1.02 -0.59 -4.65 120.64 112.76 3niw n GLU 213 Ca -0.03 -1.52 -0.33 0.00 -0.02 0.00 0.00 57.16 55.26 3niw n GLU 213 Cb 0.10 -1.42 -0.13 0.00 -0.02 0.00 0.00 31.44 29.97 3niw n GLU 213 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3niw s VAL 214 N -1.64 3.20 -0.18 2.62 1.01 -0.68 -0.61 120.40 124.13 3niw s VAL 214 Ca 0.34 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 3niw s VAL 214 Cb 0.19 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 3niw s VAL 214 CO 0.27 0.57 0.04 -0.63 0.00 0.00 0.00 175.10 175.34 3niw s ILE 215 N -0.37 4.53 -0.06 2.22 1.01 -0.59 -2.45 121.20 125.48 3niw s ILE 215 Ca 0.04 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.60 3niw s ILE 215 Cb -0.12 -3.03 0.01 0.00 0.01 0.00 0.00 42.46 39.32 3niw s ILE 215 CO 0.02 0.46 -0.15 0.00 0.00 0.00 0.00 174.94 175.27 3niw s ALA 216 N 0.47 1.47 -0.09 9.38 0.00 -1.26 -0.15 121.76 131.57 3niw s ALA 216 Ca 0.01 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.42 3niw s ALA 216 Cb -0.13 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.43 3niw s ALA 216 CO 0.01 0.20 -0.20 0.42 0.00 0.00 0.00 175.76 176.19 3niw s ILE 217 N 0.38 1.74 0.37 0.00 1.01 0.77 0.12 121.20 125.59 3niw s ILE 217 Ca -0.11 -0.82 -0.16 0.00 0.00 0.00 0.00 60.65 59.56 3niw s ILE 217 Cb -0.14 -1.53 0.06 0.00 0.01 0.00 0.00 42.46 40.86 3niw s ILE 217 CO 0.04 0.49 0.82 -0.83 0.00 0.00 0.00 174.94 175.45 3niw s GLY 218 N 0.53 0.37 0.00 6.18 0.00 -0.67 -2.14 107.32 111.59 3niw s GLY 218 Ca -0.16 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 43.82 3niw s GLY 218 CO 0.06 -0.08 0.00 2.09 0.00 0.00 0.00 173.10 175.17 3niw n ASP 219 N -1.45 1.74 -4.90 1.64 3.85 -1.26 -4.35 116.55 111.82 3niw n ASP 219 Ca -0.08 0.00 -0.27 0.00 -0.71 0.00 0.00 54.79 53.72 3niw n ASP 219 Cb 0.60 0.21 -0.01 0.00 -1.35 0.00 0.00 41.12 40.57 3niw n ASP 219 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3niw s GLY 220 N -1.47 2.46 0.40 6.12 0.00 -1.26 -1.48 107.32 112.09 3niw s GLY 220 Ca 0.00 -1.08 0.08 0.00 0.00 0.00 0.00 44.72 43.72 3niw s GLY 220 CO 0.00 -1.98 2.00 -0.97 0.00 0.00 0.00 173.10 172.14 3niw h TYR 221 N 0.78 0.43 0.00 1.90 0.05 -2.00 -1.56 116.97 116.57 3niw h TYR 221 Ca -0.37 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.40 3niw h TYR 221 Cb 1.31 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.91 3niw h TYR 221 CO 1.08 0.36 0.00 0.27 -1.05 0.00 0.00 178.16 178.82 3niw n ASN 222 N -4.40 0.00 -0.49 3.88 6.94 -1.26 -1.63 115.26 118.30 3niw n ASN 222 Ca 0.01 -0.22 0.10 0.00 -0.02 0.00 0.00 54.58 54.46 3niw n ASN 222 Cb 0.14 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.38 3niw n ASN 222 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3niw n ASP 223 N -1.18 1.98 -0.13 0.53 8.00 -0.59 -4.65 116.55 120.51 3niw n ASP 223 Ca 0.11 -1.49 -0.08 0.00 0.71 0.00 0.00 54.79 54.05 3niw n ASP 223 Cb 0.13 0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 3niw n ASP 223 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3niw h LEU 224 N 2.39 0.47 -1.85 0.64 5.85 -1.32 -2.06 115.31 119.43 3niw h LEU 224 Ca 0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3niw h LEU 224 Cb 0.71 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3niw h LEU 224 CO 0.00 0.36 0.00 -1.54 -0.34 0.00 0.00 178.44 176.92 3niw n SER 225 N -4.79 0.76 0.00 1.25 3.41 -1.26 -1.80 113.62 111.18 3niw n SER 225 Ca 0.01 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 3niw n SER 225 Cb 0.03 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 3niw n SER 225 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3niw n ILE 227 N 0.79 0.00 -0.10 -1.33 5.41 -0.77 -1.29 119.36 122.05 3niw n ILE 227 Ca 0.00 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 3niw n ILE 227 Cb 0.13 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.03 3niw n ILE 227 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 3niw h LYS 228 N 0.00 0.80 -0.37 0.38 1.57 -1.61 -3.30 116.57 114.05 3niw h LYS 228 Ca 0.00 -0.42 -0.13 0.00 -1.87 0.00 0.00 60.65 58.23 3niw h LYS 228 Cb 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3niw h LYS 228 CO 0.00 1.06 -0.27 0.35 -0.57 0.00 0.00 179.45 180.01 3niw h PHE 229 N 0.58 0.98 -3.98 -1.35 3.04 -1.45 -3.44 116.94 111.32 3niw h PHE 229 Ca 0.05 -0.27 -0.54 0.00 3.98 0.00 0.00 57.97 61.19 3niw h PHE 229 Cb 0.91 -0.22 0.10 0.00 2.56 0.00 0.00 35.95 39.31 3niw h PHE 229 CO 0.07 1.05 0.65 0.00 -2.02 0.00 0.00 178.31 178.06 3niw s ALA 230 N -4.49 3.20 -0.93 2.41 0.00 -1.24 -4.82 121.76 115.89 3niw s ALA 230 Ca -0.12 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.18 3niw s ALA 230 Cb 0.10 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3niw s ALA 230 CO 0.85 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.98 3niw n GLY 231 N 0.62 0.00 0.00 0.00 0.00 -0.07 -4.96 105.19 100.78 3niw n GLY 231 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3niw n GLY 231 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3niw n GLY 233 N 0.54 0.94 3.26 -0.02 0.00 -1.25 -4.98 105.19 103.67 3niw n GLY 233 Ca 0.00 0.44 -0.33 0.00 0.00 0.00 0.00 46.02 46.12 3niw n GLY 233 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3niw s VAL 234 N 0.00 2.73 0.00 1.61 1.01 0.12 0.30 120.40 126.16 3niw s VAL 234 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3niw s VAL 234 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.21 3niw s VAL 234 CO 0.00 0.50 0.00 0.00 0.00 0.00 0.00 175.10 175.60 3niw n ALA 235 N 4.25 0.00 -0.05 5.51 0.00 -0.14 -1.68 120.51 128.40 3niw n ALA 235 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 3niw n ALA 235 Cb 0.51 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.82 3niw n ALA 235 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3niw n GLY 237 N 5.00 -1.02 0.69 0.00 0.00 -0.35 -1.38 105.19 108.13 3niw n GLY 237 Ca 0.00 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.90 3niw n GLY 237 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3niw n ASN 238 N -2.88 2.02 -4.72 1.61 6.94 -1.26 -4.84 115.26 112.13 3niw n ASN 238 Ca -0.23 -1.93 -0.32 0.00 -0.02 0.00 0.00 54.58 52.08 3niw n ASN 238 Cb 1.06 -0.22 0.11 0.00 -2.36 0.00 0.00 39.78 38.37 3niw n ASN 238 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3niw s ALA 239 N -1.55 1.96 0.50 -2.53 0.00 -1.26 -4.97 121.76 113.90 3niw s ALA 239 Ca 0.28 0.60 -0.23 0.00 0.00 0.00 0.00 51.96 52.61 3niw s ALA 239 Cb 0.15 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.80 3niw s ALA 239 CO 0.20 -2.10 1.31 -0.65 0.00 0.00 0.00 175.76 174.52 3niw s GLN 240 N -4.42 3.46 0.25 0.00 -1.52 -0.55 -4.82 119.66 112.06 3niw s GLN 240 Ca 0.68 2.12 -0.05 0.00 -1.95 0.00 0.00 55.36 56.16 3niw s GLN 240 Cb -0.23 -2.40 0.47 0.00 -0.22 0.00 0.00 33.01 30.63 3niw s GLN 240 CO 0.52 -0.90 1.65 1.49 -0.25 0.00 0.00 175.29 177.80 3niw h GLU 241 N 1.85 0.16 0.00 2.91 4.57 -1.94 -0.91 114.58 121.23 3niw h GLU 241 Ca -0.50 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 57.63 3niw h GLU 241 Cb 1.28 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 3niw h GLU 241 CO 0.59 0.11 -0.20 -1.00 -1.18 0.00 0.00 179.01 177.33 3niw h PRO 242 N 0.17 0.00 -0.13 0.92 0.13 -1.98 -0.58 132.00 130.53 3niw h PRO 242 Ca 0.43 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.50 3niw h PRO 242 Cb 0.76 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 3niw h PRO 242 CO -0.60 0.20 -0.13 0.28 -0.23 0.00 0.00 178.00 177.51 3niw h VAL 243 N 0.00 1.35 -0.57 1.56 2.07 -1.54 -2.17 116.25 116.96 3niw h VAL 243 Ca -0.00 -1.30 0.05 0.00 0.82 0.00 0.00 66.70 66.27 3niw h VAL 243 Cb 0.38 1.92 -0.05 0.00 -1.52 0.00 0.00 31.29 32.02 3niw h VAL 243 CO 0.03 0.38 0.30 0.11 0.02 0.00 0.00 177.57 178.40 3niw h LYS 244 N -0.07 0.55 0.00 1.57 1.57 -0.95 -2.10 116.57 117.13 3niw h LYS 244 Ca 0.02 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3niw h LYS 244 Cb 0.66 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3niw h LYS 244 CO 0.03 0.36 -0.23 0.87 -0.57 0.00 0.00 179.45 179.91 3niw h LYS 245 N 0.56 0.00 0.00 3.15 1.57 -1.10 -2.80 116.57 117.96 3niw h LYS 245 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3niw h LYS 245 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3niw h LYS 245 CO -0.17 0.23 -0.35 0.00 -0.57 0.00 0.00 179.45 178.59 3niw n ALA 246 N -2.39 3.13 -1.84 3.86 0.00 -0.82 -4.94 120.51 117.50 3niw n ALA 246 Ca -0.02 -0.26 -0.29 0.00 0.00 0.00 0.00 53.44 52.87 3niw n ALA 246 Cb 0.31 -1.23 0.10 0.00 0.00 0.00 0.00 19.45 18.63 3niw n ALA 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3niw s ALA 247 N -3.01 2.48 -0.45 0.00 0.00 -0.84 -4.63 121.76 115.31 3niw s ALA 247 Ca 0.12 -0.66 0.18 0.00 0.00 0.00 0.00 51.96 51.60 3niw s ALA 247 Cb 0.18 -2.96 -0.23 0.00 0.00 0.00 0.00 23.12 20.10 3niw s ALA 247 CO 0.65 -1.82 0.58 -0.25 0.00 0.00 0.00 175.76 174.92 3niw n ASP 248 N -3.42 0.85 -3.67 0.00 8.00 0.15 -4.97 116.55 113.48 3niw n ASP 248 Ca 0.08 -0.48 -0.14 0.00 0.71 0.00 0.00 54.79 54.96 3niw n ASP 248 Cb 0.61 1.39 -0.08 0.00 -0.02 0.00 0.00 41.12 43.01 3niw n ASP 248 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3niw s TYR 249 N -2.93 -0.65 -0.19 1.24 5.04 -0.99 -4.97 117.35 113.89 3niw s TYR 249 Ca 0.00 1.58 0.01 0.00 -2.44 0.00 0.00 57.07 56.23 3niw s TYR 249 Cb 0.12 0.23 0.02 0.00 0.35 0.00 0.00 41.96 42.68 3niw s TYR 249 CO 0.73 -0.31 -0.18 0.42 -1.34 0.00 0.00 175.55 174.87 3niw s ILE 250 N 0.34 2.13 0.00 3.14 1.01 -1.26 -0.97 121.20 125.58 3niw s ILE 250 Ca -0.00 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.64 3niw s ILE 250 Cb -0.04 -1.94 0.00 0.00 0.01 0.00 0.00 42.46 40.49 3niw s ILE 250 CO 0.00 0.47 0.00 1.07 0.00 0.00 0.00 174.94 176.48 3niw n THR 251 N 4.60 0.00 -1.54 2.92 5.66 -0.48 -4.94 114.28 120.51 3niw n THR 251 Ca -0.20 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.50 3niw n THR 251 Cb 0.49 -1.06 0.20 0.00 -1.55 0.00 0.00 70.33 68.41 3niw n THR 251 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3niw s LEU 252 N 0.00 1.81 0.84 1.09 1.43 -1.26 -1.93 118.68 120.66 3niw s LEU 252 Ca 0.00 0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 53.48 3niw s LEU 252 Cb 0.00 -2.44 0.09 0.00 0.03 0.00 0.00 46.19 43.87 3niw s LEU 252 CO 0.00 -3.28 1.12 0.42 0.23 0.00 0.00 176.35 174.84 3niw s THR 253 N -3.46 2.60 0.55 5.49 -4.23 -1.26 -1.21 115.64 114.11 3niw s THR 253 Ca 0.72 0.19 0.24 0.00 -1.18 0.00 0.00 61.69 61.66 3niw s THR 253 Cb -0.07 -2.97 0.31 0.00 1.34 0.00 0.00 72.50 71.11 3niw s THR 253 CO 0.54 -0.25 2.20 -0.55 -0.54 0.00 0.00 174.62 176.01 3niw h ASN 254 N -1.23 0.00 0.14 3.99 -1.07 -1.83 -0.18 115.58 115.40 3niw h ASN 254 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.89 3niw h ASN 254 Cb 1.30 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.55 3niw h ASN 254 CO 0.61 0.02 -0.05 0.47 0.07 0.00 0.00 177.43 178.55 3niw n ASP 255 N -4.09 0.69 -0.73 6.14 8.00 -1.26 -3.34 116.55 121.95 3niw n ASP 255 Ca -0.03 -0.99 0.05 0.00 0.71 0.00 0.00 54.79 54.53 3niw n ASP 255 Cb 0.10 -0.02 0.21 0.00 -0.02 0.00 0.00 41.12 41.39 3niw n ASP 255 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3niw n GLU 256 N -0.60 2.01 -3.73 -1.24 1.02 -0.21 -4.97 120.64 112.92 3niw n GLU 256 Ca 0.18 -2.95 -0.25 0.00 -0.02 0.00 0.00 57.16 54.13 3niw n GLU 256 Cb 0.26 -1.72 0.05 0.00 -0.02 0.00 0.00 31.44 30.01 3niw n GLU 256 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3niw n ASP 257 N -1.01 -4.12 -0.33 1.62 8.00 -1.11 -4.73 116.55 114.88 3niw n ASP 257 Ca 0.23 -0.71 0.18 0.00 0.71 0.00 0.00 54.79 55.21 3niw n ASP 257 Cb 0.85 -4.36 0.39 0.00 -0.02 0.00 0.00 41.12 37.97 3niw n ASP 257 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3niw h GLY 258 N -2.19 1.81 0.70 0.44 0.00 -1.37 -0.23 103.07 102.24 3niw h GLY 258 Ca -0.59 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 3niw h GLY 258 CO 0.60 -0.36 -0.00 -2.08 0.00 0.00 0.00 176.54 174.70 3niw h VAL 259 N 0.39 1.27 -0.64 4.60 2.07 -1.84 -1.79 116.25 120.30 3niw h VAL 259 Ca 0.65 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 3niw h VAL 259 Cb 1.34 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.80 3niw h VAL 259 CO -0.56 0.22 0.40 0.00 0.02 0.00 0.00 177.57 177.65 3niw h ALA 260 N 0.69 0.82 -0.61 1.67 0.00 -1.78 -1.89 119.26 118.14 3niw h ALA 260 Ca 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3niw h ALA 260 Cb 0.35 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3niw h ALA 260 CO 0.00 0.28 0.34 1.49 0.00 0.00 0.00 179.25 181.36 3niw h GLU 261 N 0.87 0.85 -0.27 0.00 4.57 -0.95 -1.39 114.58 118.26 3niw h GLU 261 Ca 0.23 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.29 3niw h GLU 261 Cb -0.04 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 3niw h GLU 261 CO -0.05 0.64 0.09 0.00 -1.18 0.00 0.00 179.01 178.52 3niw h ALA 262 N 1.16 0.36 -0.40 2.92 0.00 -1.11 -1.78 119.26 120.41 3niw h ALA 262 Ca 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3niw h ALA 262 Cb 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3niw h ALA 262 CO -0.04 -0.01 0.19 0.82 0.00 0.00 0.00 179.25 180.21 3niw h ILE 263 N 0.28 1.18 -0.42 0.00 1.08 -1.08 0.03 117.51 118.58 3niw h ILE 263 Ca 0.09 -0.51 -0.03 0.00 -0.39 0.00 0.00 64.86 64.02 3niw h ILE 263 Cb 0.24 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 34.74 3niw h ILE 263 CO -0.00 0.19 0.12 -0.33 -0.69 0.00 0.00 178.15 177.44 3niw h GLU 264 N 0.51 0.61 -0.01 2.37 5.08 -1.18 -1.12 114.58 120.83 3niw h GLU 264 Ca 0.14 -0.10 -0.21 0.00 -1.00 0.00 0.00 59.36 58.20 3niw h GLU 264 Cb 0.13 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.29 3niw h GLU 264 CO -0.02 0.54 -0.80 0.00 -1.00 0.00 0.00 179.01 177.74 3niw h ARG 265 N 0.60 0.56 -0.32 2.33 2.47 -1.00 -3.31 114.38 115.70 3niw h ARG 265 Ca 0.14 -0.59 -0.14 0.00 -1.26 0.00 0.00 59.98 58.14 3niw h ARG 265 Cb 0.19 0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.67 3niw h ARG 265 CO -0.01 1.21 -0.34 0.82 0.56 0.00 0.00 179.97 182.21 3niw h ILE 266 N 0.15 1.29 -0.02 2.04 2.04 -0.90 -3.51 117.51 118.61 3niw h ILE 266 Ca -0.10 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.25 3niw h ILE 266 Cb 1.48 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 3niw h ILE 266 CO 0.16 0.49 0.00 0.49 0.00 0.00 0.00 178.15 179.29