#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pvt n HIS 1 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -2.61 115.22 112.96 1pvt n HIS 1 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1pvt n HIS 1 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1pvt n HIS 1 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1pvt n ARG 2 N 0.00 0.00 0.06 1.57 1.74 -1.26 -2.25 116.66 116.53 1pvt n ARG 2 Ca 0.00 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.86 1pvt n ARG 2 Cb 0.00 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.29 1pvt n ARG 2 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1pvt h GLU 3 N 0.00 0.36 -1.01 5.56 4.81 -1.95 -3.28 114.58 119.07 1pvt h GLU 3 Ca 0.00 -0.61 0.23 0.00 -0.13 0.00 0.00 59.36 58.85 1pvt h GLU 3 Cb 0.00 0.23 -0.12 0.00 0.63 0.00 0.00 28.75 29.49 1pvt h GLU 3 CO 0.00 1.29 0.61 1.15 -0.73 0.00 0.00 179.01 181.33 1pvt h THR 4 N -0.13 0.60 -0.27 0.32 2.02 -1.72 0.23 112.91 113.96 1pvt h THR 4 Ca -0.27 -0.22 0.05 0.00 0.77 0.00 0.00 66.41 66.74 1pvt h THR 4 Cb 1.90 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 1pvt h THR 4 CO 0.15 0.12 -0.01 0.40 0.37 0.00 0.00 175.52 176.55 1pvt h ILE 5 N 0.64 0.79 -0.78 3.11 1.08 -1.85 0.16 117.51 120.65 1pvt h ILE 5 Ca 0.62 -0.02 0.01 0.00 -0.39 0.00 0.00 64.86 65.07 1pvt h ILE 5 Cb 1.12 0.72 -0.04 0.00 -3.07 0.00 0.00 36.82 35.55 1pvt h ILE 5 CO -0.43 0.01 0.52 0.03 -0.69 0.00 0.00 178.15 177.59 1pvt h ARG 6 N 0.06 1.03 -0.24 2.37 3.08 -0.68 0.32 114.38 120.32 1pvt h ARG 6 Ca 0.13 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 1pvt h ARG 6 Cb 0.17 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1pvt h ARG 6 CO -0.23 0.68 -0.14 1.49 -1.07 0.00 0.00 179.97 180.70 1pvt h GLU 7 N 1.06 0.40 -0.01 0.04 4.81 0.37 0.11 114.58 121.37 1pvt h GLU 7 Ca 0.29 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1pvt h GLU 7 Cb -0.12 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.22 1pvt h GLU 7 CO -0.06 0.54 -0.29 0.82 -0.73 0.00 0.00 179.01 179.29 1pvt h ILE 8 N 0.37 1.51 -0.79 2.32 2.04 0.40 -3.01 117.51 120.36 1pvt h ILE 8 Ca 0.07 -1.91 0.04 0.00 1.00 0.00 0.00 64.86 64.06 1pvt h ILE 8 Cb 0.47 2.67 -0.05 0.00 -0.74 0.00 0.00 36.82 39.17 1pvt h ILE 8 CO 0.03 0.53 0.50 1.56 0.00 0.00 0.00 178.15 180.77 1pvt h GLN 9 N -0.41 0.93 -0.59 2.37 4.20 -0.08 -0.53 115.11 121.00 1pvt h GLN 9 Ca -0.03 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.65 1pvt h GLN 9 Cb 1.02 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.55 1pvt h GLN 9 CO 0.06 0.62 0.36 -0.22 -0.67 0.00 0.00 178.83 178.97 1pvt h LYS 10 N 0.96 0.68 -0.62 1.46 3.64 -0.86 -1.12 116.57 120.71 1pvt h LYS 10 Ca 0.32 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.59 1pvt h LYS 10 Cb 0.03 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 1pvt h LYS 10 CO -0.12 0.45 0.13 0.28 -2.27 0.00 0.00 179.45 177.91 1pvt h VAL 11 N 0.70 1.25 -0.80 2.00 2.07 -1.22 -2.15 116.25 118.10 1pvt h VAL 11 Ca 0.24 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.84 1pvt h VAL 11 Cb 0.04 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1pvt h VAL 11 CO -0.11 0.35 0.52 0.00 0.02 0.00 0.00 177.57 178.35 1pvt h ALA 12 N 1.19 1.03 0.74 1.67 0.00 -0.46 -0.57 119.26 122.85 1pvt h ALA 12 Ca 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1pvt h ALA 12 Cb 0.37 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1pvt h ALA 12 CO 0.00 0.38 -0.35 -0.92 0.00 0.00 0.00 179.25 178.36 1pvt h TYR 13 N 1.04 -0.92 -0.55 0.00 3.20 -0.74 -2.06 116.97 116.94 1pvt h TYR 13 Ca 0.30 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.23 1pvt h TYR 13 Cb -0.06 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 1pvt h TYR 13 CO -0.02 -0.56 0.37 -1.49 -1.64 0.00 0.00 178.16 174.82 1pvt h TRP 14 N -1.02 0.43 -0.31 -3.82 4.06 -1.20 0.63 115.95 114.71 1pvt h TRP 14 Ca -0.10 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.85 1pvt h TRP 14 Cb 0.77 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.77 1pvt h TRP 14 CO -0.02 0.22 0.17 1.25 -3.56 0.00 0.00 178.44 176.50 1pvt h LEU 15 N 0.42 0.39 -0.07 -4.49 5.85 -0.90 -1.67 115.31 114.83 1pvt h LEU 15 Ca 0.25 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1pvt h LEU 15 Cb 0.44 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1pvt h LEU 15 CO -0.07 0.36 -0.16 0.00 -0.34 0.00 0.00 178.44 178.23 1pvt h ALA 16 N 1.05 0.11 -0.30 1.25 0.00 -0.51 0.50 119.26 121.36 1pvt h ALA 16 Ca 0.11 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1pvt h ALA 16 Cb 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1pvt h ALA 16 CO -0.02 0.03 0.07 0.97 0.00 0.00 0.00 179.25 180.30 1pvt h ILE 17 N -0.28 1.15 -0.50 0.00 6.09 -0.93 -1.25 117.51 121.78 1pvt h ILE 17 Ca -0.00 -0.52 0.00 0.00 -1.37 0.00 0.00 64.86 62.97 1pvt h ILE 17 Cb 0.76 0.85 0.00 0.00 0.47 0.00 0.00 36.82 38.91 1pvt h ILE 17 CO 0.04 0.19 0.00 0.29 -3.07 0.00 0.00 178.15 175.59 1pvt n LYS 18 N -4.36 2.19 -0.83 2.19 5.02 -0.63 -4.91 118.16 116.83 1pvt n LYS 18 Ca 0.01 -1.85 0.00 0.00 -2.02 0.00 0.00 58.31 54.45 1pvt n LYS 18 Cb 0.17 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 1pvt n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pvt n GLY 19 N 1.32 0.36 0.31 0.72 0.00 -0.47 -4.84 105.19 102.59 1pvt n GLY 19 Ca 0.17 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.34 1pvt n GLY 19 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pvt h LEU 20 N 0.00 0.00 -7.95 0.99 3.38 -1.16 -3.41 115.31 107.16 1pvt h LEU 20 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 1pvt h LEU 20 Cb 0.21 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.66 1pvt h LEU 20 CO 0.00 0.00 -0.78 -0.55 0.09 0.00 0.00 178.44 177.20 1pvt s SER 21 N -6.26 1.08 0.11 -0.43 0.15 -0.86 -3.50 113.70 103.98 1pvt s SER 21 Ca -0.05 -0.16 0.05 0.00 0.70 0.00 0.00 55.95 56.49 1pvt s SER 21 Cb 0.16 -0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 64.16 1pvt s SER 21 CO 0.59 0.06 -0.13 -1.61 1.20 0.00 0.00 173.24 173.35 1pvt s GLU 22 N 0.17 0.95 7.23 5.44 2.02 -1.26 -4.50 118.70 128.75 1pvt s GLU 22 Ca -0.02 -1.17 0.00 0.00 0.02 0.00 0.00 54.97 53.80 1pvt s GLU 22 Cb -0.08 -0.81 0.00 0.00 0.10 0.00 0.00 34.13 33.35 1pvt s GLU 22 CO 0.00 0.15 0.00 0.00 0.02 0.00 0.00 175.26 175.44 1pvt n ALA 23 N 0.67 0.00 -0.53 5.21 0.00 -1.26 -1.49 120.51 123.11 1pvt n ALA 23 Ca -0.17 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.33 1pvt n ALA 23 Cb 0.57 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.16 1pvt n ALA 23 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1pvt n ASN 24 N 4.16 2.89 -4.57 0.00 0.23 -1.26 -4.53 115.26 112.17 1pvt n ASN 24 Ca 0.00 -2.48 -0.41 0.00 -0.53 0.00 0.00 54.58 51.15 1pvt n ASN 24 Cb 0.00 -0.31 -0.01 0.00 -2.08 0.00 0.00 39.78 37.38 1pvt n ASN 24 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1pvt s ALA 25 N -1.85 3.03 0.00 -2.53 0.00 -0.56 -4.78 121.76 115.07 1pvt s ALA 25 Ca 0.25 -2.66 0.00 0.00 0.00 0.00 0.00 51.96 49.55 1pvt s ALA 25 Cb 0.19 -4.62 0.00 0.00 0.00 0.00 0.00 23.12 18.69 1pvt s ALA 25 CO 0.08 -3.53 0.00 0.41 0.00 0.00 0.00 175.76 172.72 1pvt n GLY 26 N 5.87 3.64 3.13 0.00 0.00 -1.26 -4.24 105.19 112.33 1pvt n GLY 26 Ca 0.44 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 1pvt n GLY 26 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pvt s ASN 27 N 0.00 0.44 0.07 1.61 0.01 -0.51 -4.86 114.94 111.70 1pvt s ASN 27 Ca 0.00 -1.13 0.03 0.00 -0.71 0.00 0.00 52.86 51.05 1pvt s ASN 27 Cb 0.00 0.25 -0.03 0.00 0.41 0.00 0.00 41.25 41.88 1pvt s ASN 27 CO 0.00 -0.67 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.19 1pvt s ILE 28 N -3.97 0.83 -0.17 0.60 1.01 -1.26 -1.14 121.20 117.10 1pvt s ILE 28 Ca 0.18 -1.33 -0.09 0.00 0.00 0.00 0.00 60.65 59.41 1pvt s ILE 28 Cb 0.08 -0.99 0.06 0.00 0.01 0.00 0.00 42.46 41.62 1pvt s ILE 28 CO -0.02 -0.40 0.41 -0.94 0.00 0.00 0.00 174.94 173.99 1pvt s SER 29 N -1.91 -0.52 -0.04 3.58 1.04 0.15 -1.78 113.70 114.23 1pvt s SER 29 Ca -0.03 0.89 0.05 0.00 0.48 0.00 0.00 55.95 57.34 1pvt s SER 29 Cb -0.08 0.77 -0.01 0.00 0.10 0.00 0.00 66.02 66.81 1pvt s SER 29 CO 0.01 -0.19 -0.18 -0.69 0.98 0.00 0.00 173.24 173.17 1pvt s VAL 30 N 1.40 1.45 -0.28 5.02 1.01 0.10 -0.14 120.40 128.97 1pvt s VAL 30 Ca -0.10 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 60.97 1pvt s VAL 30 Cb -0.08 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 1pvt s VAL 30 CO -0.13 0.42 0.45 -0.60 0.00 0.00 0.00 175.10 175.24 1pvt s ARG 31 N -0.08 3.97 0.14 2.72 3.52 0.79 -0.21 118.95 129.80 1pvt s ARG 31 Ca -0.01 0.12 -0.28 0.00 -0.13 0.00 0.00 55.73 55.43 1pvt s ARG 31 Cb -0.10 -3.68 -0.07 0.00 -1.56 0.00 0.00 34.95 29.54 1pvt s ARG 31 CO 0.01 -0.37 0.88 -0.51 -0.81 0.00 0.00 175.30 174.51 1pvt s LEU 32 N 2.22 4.55 -0.05 -0.88 1.02 0.20 -4.90 118.68 120.84 1pvt s LEU 32 Ca 0.18 1.74 -0.01 0.00 0.02 0.00 0.00 54.13 56.05 1pvt s LEU 32 Cb -0.16 -3.47 -0.01 0.00 0.02 0.00 0.00 46.19 42.58 1pvt s LEU 32 CO 0.10 0.06 0.08 -2.24 0.02 0.00 0.00 176.35 174.37 1pvt h ASP 33 N 4.99 -0.04 0.00 2.29 2.03 -1.97 -3.36 116.42 120.37 1pvt h ASP 33 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 1pvt h ASP 33 Cb 1.21 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 1pvt h ASP 33 CO 0.70 0.22 0.00 -0.62 -1.03 0.00 0.00 179.24 178.50 1pvt n GLU 34 N -3.47 0.26 -3.81 4.15 1.02 -1.26 -4.92 120.64 112.62 1pvt n GLU 34 Ca -0.01 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.01 1pvt n GLU 34 Cb 0.02 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.34 1pvt n GLU 34 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1pvt s ARG 35 N 0.00 0.48 -0.02 3.49 0.52 -1.26 -4.81 118.95 117.35 1pvt s ARG 35 Ca 0.00 -0.10 -0.33 0.00 -0.52 0.00 0.00 55.73 54.78 1pvt s ARG 35 Cb 0.00 0.21 -0.11 0.00 0.52 0.00 0.00 34.95 35.57 1pvt s ARG 35 CO 0.00 -0.11 1.90 -2.30 0.02 0.00 0.00 175.30 174.81 1pvt n PRO 36 N 1.87 2.45 0.14 3.54 -0.02 -1.26 -4.94 135.00 136.79 1pvt n PRO 36 Ca -0.19 0.90 -0.14 0.00 -2.02 0.00 0.00 63.50 62.05 1pvt n PRO 36 Cb 0.57 -2.78 -0.08 0.00 -0.02 0.00 0.00 33.50 31.18 1pvt n PRO 36 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1pvt h GLU 37 N 9.52 -0.35 -3.82 -0.52 4.81 -2.00 -3.21 114.58 119.01 1pvt h GLU 37 Ca -0.49 0.02 -0.53 0.00 -0.13 0.00 0.00 59.36 58.23 1pvt h GLU 37 Cb 1.26 0.08 0.02 0.00 0.63 0.00 0.00 28.75 30.74 1pvt h GLU 37 CO 0.94 -0.06 2.67 0.41 -0.73 0.00 0.00 179.01 182.24 1pvt n GLY 38 N -0.49 3.16 3.66 1.92 0.00 -1.26 -4.88 105.19 107.30 1pvt n GLY 38 Ca -0.09 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 1pvt n GLY 38 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pvt s TYR 39 N 3.83 1.53 -0.45 1.61 5.04 -1.21 -4.92 117.35 122.78 1pvt s TYR 39 Ca 0.49 -0.25 0.06 0.00 -2.44 0.00 0.00 57.07 54.93 1pvt s TYR 39 Cb 0.13 -4.15 0.18 0.00 0.35 0.00 0.00 41.96 38.47 1pvt s TYR 39 CO 0.01 -5.04 0.57 -1.21 -1.34 0.00 0.00 175.55 168.55 1pvt s GLU 40 N 4.24 0.91 -0.22 4.97 2.02 -1.26 -5.11 118.70 124.25 1pvt s GLU 40 Ca 0.84 -1.03 -0.29 0.00 0.02 0.00 0.00 54.97 54.51 1pvt s GLU 40 Cb -0.40 -0.38 -0.03 0.00 0.10 0.00 0.00 34.13 33.42 1pvt s GLU 40 CO 0.38 -1.28 1.65 0.08 0.02 0.00 0.00 175.26 176.10 1pvt s VAL 41 N 1.06 3.65 -0.19 2.63 1.01 -1.26 -4.36 120.40 122.94 1pvt s VAL 41 Ca 0.25 0.73 0.15 0.00 0.00 0.00 0.00 61.98 63.11 1pvt s VAL 41 Cb -0.03 -3.67 -0.22 0.00 0.00 0.00 0.00 36.38 32.45 1pvt s VAL 41 CO -0.07 -0.29 0.04 1.17 0.00 0.00 0.00 175.10 175.95 1pvt n LYS 42 N 7.72 0.96 -3.63 2.72 0.00 0.00 -5.01 118.16 120.93 1pvt n LYS 42 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.38 1pvt n LYS 42 Cb 0.45 -1.47 -0.06 0.00 0.00 0.00 0.00 35.03 33.95 1pvt n LYS 42 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1pvt s SER 43 N -5.35 -0.33 -0.05 3.14 0.15 -0.89 -4.99 113.70 105.38 1pvt s SER 43 Ca -0.11 0.02 0.06 0.00 0.70 0.00 0.00 55.95 56.63 1pvt s SER 43 Cb 0.06 0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 64.81 1pvt s SER 43 CO 0.74 -0.71 -0.25 -0.69 1.20 0.00 0.00 173.24 173.53 1pvt s VAL 44 N -2.63 2.04 0.10 4.45 1.01 -1.26 0.18 120.40 124.29 1pvt s VAL 44 Ca -0.04 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 60.86 1pvt s VAL 44 Cb -0.00 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1pvt s VAL 44 CO -0.03 0.57 0.03 0.20 0.00 0.00 0.00 175.10 175.86 1pvt s ASN 45 N -0.23 0.37 -0.24 3.32 0.01 0.10 -4.96 114.94 113.32 1pvt s ASN 45 Ca -0.01 -1.12 -0.15 0.00 -0.71 0.00 0.00 52.86 50.86 1pvt s ASN 45 Cb -0.13 0.26 -0.04 0.00 0.41 0.00 0.00 41.25 41.75 1pvt s ASN 45 CO 0.03 -0.68 0.38 -1.61 -1.51 0.00 0.00 177.10 173.71 1pvt s GLU 46 N -4.00 4.09 0.56 -0.60 2.02 -1.26 -1.16 118.70 118.34 1pvt s GLU 46 Ca 0.17 0.11 0.34 0.00 0.02 0.00 0.00 54.97 55.61 1pvt s GLU 46 Cb 0.08 -3.60 1.48 0.00 0.10 0.00 0.00 34.13 32.19 1pvt s GLU 46 CO -0.03 -0.16 1.80 1.88 0.02 0.00 0.00 175.26 178.77 1pvt h TYR 47 N 7.78 0.00 0.00 1.61 0.99 -0.89 -3.44 116.97 123.03 1pvt h TYR 47 Ca -0.34 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.39 1pvt h TYR 47 Cb 1.16 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.89 1pvt h TYR 47 CO 0.72 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.29 1pvt n GLY 48 N -1.71 1.25 3.74 3.88 0.00 -1.26 -4.96 105.19 106.14 1pvt n GLY 48 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 1pvt n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pvt s PHE 49 N -3.01 0.02 -0.48 1.61 -0.12 -1.26 -5.13 117.98 109.61 1pvt s PHE 49 Ca 0.00 -0.44 -0.21 0.00 -0.05 0.00 0.00 56.93 56.24 1pvt s PHE 49 Cb 0.00 0.50 0.04 0.00 -0.63 0.00 0.00 43.02 42.93 1pvt s PHE 49 CO 0.00 -1.13 0.68 0.34 -0.05 0.00 0.00 175.22 175.06 1pvt s ASP 50 N -2.96 6.28 -0.10 1.98 -1.08 -1.26 -4.56 116.67 114.97 1pvt s ASP 50 Ca 0.15 -0.58 -0.28 0.00 -0.52 0.00 0.00 52.55 51.32 1pvt s ASP 50 Cb -0.04 -2.32 -0.02 0.00 -1.46 0.00 0.00 42.92 39.08 1pvt s ASP 50 CO 0.07 -0.89 0.93 -0.47 0.52 0.00 0.00 175.17 175.33 1pvt s TYR 51 N 2.91 3.51 -0.11 -5.34 5.04 0.11 -4.92 117.35 118.56 1pvt s TYR 51 Ca 0.21 1.48 0.14 0.00 -2.44 0.00 0.00 57.07 56.46 1pvt s TYR 51 Cb -0.16 -3.09 0.27 0.00 0.35 0.00 0.00 41.96 39.32 1pvt s TYR 51 CO 0.16 -0.17 1.13 -3.47 -1.34 0.00 0.00 175.55 171.87 1pvt n ASP 52 N 4.79 1.59 -4.92 4.32 2.03 -1.26 0.54 116.55 123.64 1pvt n ASP 52 Ca 0.06 -2.93 -0.20 0.00 0.52 0.00 0.00 54.79 52.24 1pvt n ASP 52 Cb 0.49 -0.39 0.06 0.00 -0.72 0.00 0.00 41.12 40.56 1pvt n ASP 52 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1pvt s GLY 53 N -2.47 1.81 1.26 0.27 0.00 -1.26 -5.04 107.32 101.90 1pvt s GLY 53 Ca 0.27 -1.71 -0.19 0.00 0.00 0.00 0.00 44.72 43.09 1pvt s GLY 53 CO -0.02 -1.33 0.64 -1.05 0.00 0.00 0.00 173.10 171.35 1pvt n PRO 54 N -2.34 -3.39 -2.88 2.90 -0.02 -1.26 -4.39 135.00 123.62 1pvt n PRO 54 Ca 0.12 -1.00 -0.27 0.00 -2.02 0.00 0.00 63.50 60.33 1pvt n PRO 54 Cb 0.60 -1.82 -0.01 0.00 -0.02 0.00 0.00 33.50 32.26 1pvt n PRO 54 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1pvt s GLU 55 N -4.31 3.56 -0.05 -0.52 2.12 -1.26 -4.63 118.70 113.61 1pvt s GLU 55 Ca 0.58 0.09 -0.01 0.00 0.36 0.00 0.00 54.97 55.99 1pvt s GLU 55 Cb -0.13 -2.46 0.03 0.00 0.26 0.00 0.00 34.13 31.83 1pvt s GLU 55 CO 0.53 -0.08 0.01 0.71 -0.54 0.00 0.00 175.26 175.90 1pvt s TYR 57 N -2.56 0.43 0.01 5.30 2.02 -1.26 -4.99 117.35 116.30 1pvt s TYR 57 Ca 0.46 -0.02 0.01 0.00 -0.37 0.00 0.00 57.07 57.15 1pvt s TYR 57 Cb -0.10 -0.61 -0.01 0.00 -0.40 0.00 0.00 41.96 40.84 1pvt s TYR 57 CO 0.40 -0.23 -0.05 -0.48 -1.57 0.00 0.00 175.55 173.62 1pvt s LEU 58 N 1.69 2.08 -0.19 -1.29 2.34 -0.00 0.61 118.68 123.91 1pvt s LEU 58 Ca -0.00 -0.20 -0.13 0.00 0.06 0.00 0.00 54.13 53.85 1pvt s LEU 58 Cb -0.13 -0.18 -0.05 0.00 -0.56 0.00 0.00 46.19 45.28 1pvt s LEU 58 CO -0.03 -0.03 0.28 -0.76 -1.06 0.00 0.00 176.35 174.75 1pvt s LEU 59 N -0.50 4.19 -0.04 1.48 1.43 0.71 -0.61 118.68 125.34 1pvt s LEU 59 Ca -0.02 0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 53.40 1pvt s LEU 59 Cb -0.04 -2.34 0.01 0.00 0.03 0.00 0.00 46.19 43.86 1pvt s LEU 59 CO -0.00 0.04 0.19 -0.51 0.23 0.00 0.00 176.35 176.31 1pvt s ILE 60 N 0.84 0.04 0.57 -0.59 2.07 0.65 0.03 121.20 124.81 1pvt s ILE 60 Ca 0.15 -0.34 -0.21 0.00 -1.41 0.00 0.00 60.65 58.84 1pvt s ILE 60 Cb -0.13 -0.39 -0.04 0.00 0.13 0.00 0.00 42.46 42.02 1pvt s ILE 60 CO 0.05 -0.19 1.30 0.35 -1.91 0.00 0.00 174.94 174.54 1pvt n THR 61 N 2.13 4.04 -1.97 4.00 -2.24 -0.73 -0.13 114.28 119.38 1pvt n THR 61 Ca -0.18 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 60.81 1pvt n THR 61 Cb 0.57 -1.57 0.18 0.00 -2.10 0.00 0.00 70.33 67.41 1pvt n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pvt s ALA 62 N -1.33 2.35 0.18 6.98 0.00 -0.80 -1.88 121.76 127.27 1pvt s ALA 62 Ca 0.74 -1.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.20 1pvt s ALA 62 Cb -0.41 -2.74 -0.08 0.00 0.00 0.00 0.00 23.12 19.89 1pvt s ALA 62 CO 0.47 -2.33 1.02 -0.08 0.00 0.00 0.00 175.76 174.83 1pvt s THR 63 N -3.83 4.07 0.00 0.00 -1.32 0.25 -3.01 115.64 111.81 1pvt s THR 63 Ca 0.73 1.87 0.00 0.00 -1.21 0.00 0.00 61.69 63.08 1pvt s THR 63 Cb -0.04 -4.19 0.00 0.00 -1.51 0.00 0.00 72.50 66.76 1pvt s THR 63 CO 0.52 0.36 0.00 0.61 -2.21 0.00 0.00 174.62 173.90 1pvt n GLY 64 N 1.87 0.89 3.75 6.08 0.00 -1.26 -4.92 105.19 111.61 1pvt n GLY 64 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1pvt n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pvt s SER 65 N -2.82 6.89 0.00 1.61 1.04 -1.16 -4.87 113.70 114.38 1pvt s SER 65 Ca 0.00 2.49 0.00 0.00 0.48 0.00 0.00 55.95 58.92 1pvt s SER 65 Cb 0.00 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1pvt s SER 65 CO 0.00 -0.50 0.00 0.54 0.98 0.00 0.00 173.24 174.26 1pvt n ARG 66 N 1.91 4.00 0.00 4.02 1.74 -1.26 -4.53 116.66 122.54 1pvt n ARG 66 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1pvt n ARG 66 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.87 1pvt n ARG 66 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1pvt n ARG 68 N 0.00 0.00 0.00 5.56 1.85 -1.26 -0.87 116.66 121.94 1pvt n ARG 68 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1pvt n ARG 68 Cb 0.00 -0.45 0.00 0.00 -1.05 0.00 0.00 32.46 30.96 1pvt n ARG 68 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1pvt n GLU 69 N 0.45 0.00 0.20 2.89 1.02 -1.26 -4.70 120.64 119.23 1pvt n GLU 69 Ca 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.28 1pvt n GLU 69 Cb 0.00 -0.82 0.68 0.00 -0.02 0.00 0.00 31.44 31.28 1pvt n GLU 69 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1pvt h VAL 70 N 0.00 0.00 0.00 2.62 -1.51 -1.22 0.25 116.25 116.38 1pvt h VAL 70 Ca 0.00 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 1pvt h VAL 70 Cb 0.95 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 30.97 1pvt h VAL 70 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 177.57 176.44 1pvt h TYR 71 N 0.00 0.00 0.00 5.19 -0.00 -1.83 -3.33 116.97 117.01 1pvt h TYR 71 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 58.73 58.40 1pvt h TYR 71 Cb 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 36.86 1pvt h TYR 71 CO 0.00 0.00 -2.22 0.39 -0.00 0.00 0.00 178.16 176.33 1pvt n GLU 72 N -2.62 0.52 -3.73 0.10 1.02 0.57 -4.80 120.64 111.70 1pvt n GLU 72 Ca 0.04 0.14 -0.38 0.00 -0.02 0.00 0.00 57.16 56.95 1pvt n GLU 72 Cb 0.43 -1.40 -0.11 0.00 -0.02 0.00 0.00 31.44 30.34 1pvt n GLU 72 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1pvt s ASP 73 N -6.28 5.35 0.00 1.62 2.15 0.45 -4.95 116.67 115.01 1pvt s ASP 73 Ca -0.29 -1.61 0.19 0.00 0.43 0.00 0.00 52.55 51.27 1pvt s ASP 73 Cb 0.08 -1.88 1.11 0.00 -0.30 0.00 0.00 42.92 41.94 1pvt s ASP 73 CO 0.47 -0.47 1.53 -0.90 -0.17 0.00 0.00 175.17 175.62 1pvt n ASP 74 N 4.75 0.00 0.03 -0.34 5.75 -1.26 -1.71 116.55 123.77 1pvt n ASP 74 Ca -0.08 -0.75 0.13 0.00 -0.01 0.00 0.00 54.79 54.08 1pvt n ASP 74 Cb 0.43 0.00 0.54 0.00 -1.03 0.00 0.00 41.12 41.05 1pvt n ASP 74 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1pvt n SER 75 N -0.94 0.25 -0.51 -1.12 3.41 -1.26 -2.47 113.62 110.99 1pvt n SER 75 Ca 0.14 0.53 0.06 0.00 -0.26 0.00 0.00 58.87 59.34 1pvt n SER 75 Cb 0.06 -0.59 0.22 0.00 -0.26 0.00 0.00 64.21 63.64 1pvt n SER 75 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1pvt n LYS 76 N -1.74 1.65 -5.16 4.33 4.76 -0.69 -2.71 118.16 118.60 1pvt n LYS 76 Ca 0.06 -1.00 -0.32 0.00 -2.87 0.00 0.00 58.31 54.18 1pvt n LYS 76 Cb 0.35 -1.27 -0.17 0.00 -1.84 0.00 0.00 35.03 32.10 1pvt n LYS 76 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1pvt s ILE 77 N -1.68 2.21 -0.17 -0.18 1.01 -1.03 -1.91 121.20 119.46 1pvt s ILE 77 Ca 0.23 -0.97 -0.08 0.00 0.00 0.00 0.00 60.65 59.84 1pvt s ILE 77 Cb 0.12 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 1pvt s ILE 77 CO 0.17 0.56 0.10 0.00 0.00 0.00 0.00 174.94 175.76 1pvt s LEU 79 N -0.01 3.77 0.08 0.00 2.96 -0.78 -0.25 118.68 124.45 1pvt s LEU 79 Ca 0.08 -0.00 0.04 0.00 -0.22 0.00 0.00 54.13 54.03 1pvt s LEU 79 Cb -0.12 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 1pvt s LEU 79 CO 0.00 0.08 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.24 1pvt s LEU 80 N 0.91 2.33 -0.25 -0.68 1.43 0.22 -1.46 118.68 121.19 1pvt s LEU 80 Ca 0.05 -0.70 -0.04 0.00 -1.03 0.00 0.00 54.13 52.41 1pvt s LEU 80 Cb -0.14 -0.41 0.01 0.00 0.03 0.00 0.00 46.19 45.68 1pvt s LEU 80 CO 0.03 -0.16 -0.02 -2.28 0.23 0.00 0.00 176.35 174.15 1pvt s HIS 81 N -1.78 3.05 -0.47 0.29 5.65 -0.87 -0.82 115.29 120.34 1pvt s HIS 81 Ca 0.01 -1.17 -0.19 0.00 0.25 0.00 0.00 55.06 53.96 1pvt s HIS 81 Cb -0.07 -2.13 0.04 0.00 -1.18 0.00 0.00 32.58 29.24 1pvt s HIS 81 CO 0.01 -0.62 0.59 0.08 -0.65 0.00 0.00 174.74 174.15 1pvt s VAL 82 N 1.43 4.91 -0.13 0.89 1.01 -1.26 -2.53 120.40 124.72 1pvt s VAL 82 Ca 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1pvt s VAL 82 Cb -0.16 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 1pvt s VAL 82 CO -0.02 -0.67 -0.10 -0.76 0.00 0.00 0.00 175.10 173.55 1pvt s LEU 83 N 2.57 2.91 1.00 3.92 1.43 -1.25 -4.24 118.68 125.02 1pvt s LEU 83 Ca 0.16 -0.24 -0.20 0.00 -1.03 0.00 0.00 54.13 52.82 1pvt s LEU 83 Cb -0.17 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 1pvt s LEU 83 CO 0.14 0.19 -0.65 -2.65 0.23 0.00 0.00 176.35 173.61 1pvt n PRO 84 N 3.35 -0.86 0.00 1.29 -0.02 -1.26 -4.35 135.00 133.15 1pvt n PRO 84 Ca -0.18 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.06 1pvt n PRO 84 Cb 0.53 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 1pvt n PRO 84 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pvt n GLY 85 N 2.82 0.01 0.36 -1.23 0.00 0.19 -4.32 105.19 103.02 1pvt n GLY 85 Ca 0.00 -1.68 0.04 0.00 0.00 0.00 0.00 46.02 44.37 1pvt n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pvt n LYS 86 N 0.17 1.87 -4.76 1.61 5.02 -1.26 0.07 118.16 120.87 1pvt n LYS 86 Ca 0.00 -1.52 -0.26 0.00 -2.02 0.00 0.00 58.31 54.51 1pvt n LYS 86 Cb 0.00 -1.16 -0.15 0.00 -0.02 0.00 0.00 35.03 33.71 1pvt n LYS 86 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1pvt s HIS 87 N -0.85 1.85 0.05 2.13 3.76 -1.26 -0.14 115.29 120.82 1pvt s HIS 87 Ca 0.12 -0.37 0.02 0.00 -0.15 0.00 0.00 55.06 54.69 1pvt s HIS 87 Cb 0.07 -1.12 -0.03 0.00 1.11 0.00 0.00 32.58 32.61 1pvt s HIS 87 CO 0.10 0.06 -0.08 1.52 -0.85 0.00 0.00 174.74 175.49 1pvt s TYR 88 N -0.71 0.70 0.05 1.40 -0.85 -0.31 -3.81 117.35 113.82 1pvt s TYR 88 Ca 0.08 -0.54 0.08 0.00 -0.52 0.00 0.00 57.07 56.17 1pvt s TYR 88 Cb -0.09 -0.42 -0.03 0.00 0.38 0.00 0.00 41.96 41.81 1pvt s TYR 88 CO 0.01 -0.09 -0.22 -1.83 -1.52 0.00 0.00 175.55 171.90 1pvt s GLU 89 N -1.82 1.91 -0.27 -3.49 -1.05 -1.05 0.03 118.70 112.95 1pvt s GLU 89 Ca -0.08 -1.06 -0.14 0.00 -0.15 0.00 0.00 54.97 53.54 1pvt s GLU 89 Cb -0.08 -2.08 -0.04 0.00 -0.44 0.00 0.00 34.13 31.49 1pvt s GLU 89 CO -0.00 0.52 0.35 0.42 0.95 0.00 0.00 175.26 177.50 1pvt s ILE 90 N -0.88 5.19 -0.21 1.83 1.01 0.47 -2.05 121.20 126.56 1pvt s ILE 90 Ca 0.13 0.49 -0.16 0.00 0.00 0.00 0.00 60.65 61.11 1pvt s ILE 90 Cb -0.10 -3.68 -0.19 0.00 0.01 0.00 0.00 42.46 38.49 1pvt s ILE 90 CO 0.04 0.16 0.12 0.18 0.00 0.00 0.00 174.94 175.44 1pvt n LEU 91 N 5.30 2.07 -4.21 2.97 4.32 -0.53 -0.82 117.00 126.10 1pvt n LEU 91 Ca -0.09 0.34 -0.19 0.00 -0.02 0.00 0.00 56.01 56.05 1pvt n LEU 91 Cb 0.51 -0.97 -0.12 0.00 -1.62 0.00 0.00 43.42 41.22 1pvt n LEU 91 CO 0.37 0.47 -0.46 -2.28 -1.22 0.00 0.00 177.39 174.26 1pvt s HIS 92 N -2.43 1.36 0.00 -1.77 2.46 -1.16 -4.46 115.29 109.29 1pvt s HIS 92 Ca -0.30 -0.48 0.00 0.00 0.47 0.00 0.00 55.06 54.75 1pvt s HIS 92 Cb 0.08 -0.74 0.00 0.00 -0.13 0.00 0.00 32.58 31.78 1pvt s HIS 92 CO 0.61 0.11 0.00 0.41 -2.47 0.00 0.00 174.74 173.39 1pvt n GLY 93 N 1.02 3.30 0.00 1.59 0.00 -1.25 -1.86 105.19 107.99 1pvt n GLY 93 Ca -0.19 -1.84 0.03 0.00 0.00 0.00 0.00 46.02 44.02 1pvt n GLY 93 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pvt n ASN 94 N 0.00 2.89 -0.20 1.61 4.13 -1.10 -5.05 115.26 117.55 1pvt n ASN 94 Ca 0.00 -0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.10 1pvt n ASN 94 Cb 0.00 1.18 0.00 0.00 -1.54 0.00 0.00 39.78 39.42 1pvt n ASN 94 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pvt n GLY 95 N 1.93 5.36 3.90 7.41 0.00 -1.26 -5.15 105.19 117.38 1pvt n GLY 95 Ca -0.00 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.17 1pvt n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pvt s LYS 96 N 0.49 3.67 1.20 1.61 1.02 -1.26 -4.91 119.74 121.55 1pvt s LYS 96 Ca 0.00 0.16 -0.19 0.00 0.02 0.00 0.00 55.97 55.96 1pvt s LYS 96 Cb 0.00 -2.54 0.30 0.00 -0.52 0.00 0.00 37.83 35.07 1pvt s LYS 96 CO 0.00 0.09 0.68 -2.30 -0.92 0.00 0.00 175.35 172.90 1pvt n PRO 97 N -1.21 -3.91 -1.57 -1.68 -0.02 -1.26 -0.58 135.00 124.77 1pvt n PRO 97 Ca -0.00 -1.14 -0.33 0.00 -2.02 0.00 0.00 63.50 60.00 1pvt n PRO 97 Cb 0.54 -1.57 0.07 0.00 -0.02 0.00 0.00 33.50 32.53 1pvt n PRO 97 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1pvt s THR 98 N -1.92 2.78 0.35 3.45 -1.32 -0.79 -2.81 115.64 115.38 1pvt s THR 98 Ca 0.52 0.37 0.08 0.00 -1.21 0.00 0.00 61.69 61.45 1pvt s THR 98 Cb -0.09 -2.89 0.32 0.00 -1.51 0.00 0.00 72.50 68.32 1pvt s THR 98 CO 0.44 -0.22 1.87 0.28 -2.21 0.00 0.00 174.62 174.78 1pvt h SER 99 N -0.19 0.69 -0.03 8.08 0.02 -1.91 -0.19 113.55 120.01 1pvt h SER 99 Ca -0.47 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1pvt h SER 99 Cb 1.27 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1pvt h SER 99 CO 0.52 0.36 0.00 -1.84 -1.14 0.00 0.00 176.83 174.72 1pvt n GLU 100 N -4.56 1.14 -0.13 3.45 0.28 -1.26 -4.09 120.64 115.47 1pvt n GLU 100 Ca 0.17 -0.14 -0.04 0.00 -0.16 0.00 0.00 57.16 56.99 1pvt n GLU 100 Cb 0.44 -1.28 0.03 0.00 1.43 0.00 0.00 31.44 32.06 1pvt n GLU 100 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1pvt h PHE 101 N 0.20 -0.15 -0.62 -1.84 3.57 -1.30 -1.76 116.94 115.04 1pvt h PHE 101 Ca 0.00 0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.66 1pvt h PHE 101 Cb 0.30 0.13 -0.09 0.00 2.79 0.00 0.00 35.95 39.09 1pvt h PHE 101 CO 0.04 -0.15 0.11 -1.35 -2.23 0.00 0.00 178.31 174.73 1pvt h PRO 102 N 0.04 0.23 0.28 6.41 0.11 -1.76 0.14 132.00 137.44 1pvt h PRO 102 Ca 0.21 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 1pvt h PRO 102 Cb 0.31 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1pvt h PRO 102 CO -0.41 0.15 -0.24 1.15 -0.21 0.00 0.00 178.00 178.44 1pvt h THR 103 N 0.23 0.49 -0.92 -1.15 2.02 -1.43 -1.99 112.91 110.17 1pvt h THR 103 Ca 0.33 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.64 1pvt h THR 103 Cb 0.50 0.49 -0.09 0.00 -1.74 0.00 0.00 68.15 67.31 1pvt h THR 103 CO -0.44 0.00 0.54 0.45 0.37 0.00 0.00 175.52 176.44 1pvt h HIS 104 N -0.54 0.96 0.00 3.16 3.86 -0.76 -2.91 115.15 118.92 1pvt h HIS 104 Ca -0.02 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1pvt h HIS 104 Cb 0.48 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1pvt h HIS 104 CO -0.14 0.31 0.00 -0.11 0.86 0.00 0.00 177.93 178.85 1pvt n LEU 105 N -4.75 0.00 0.00 2.43 0.00 0.42 -0.79 117.00 114.31 1pvt n LEU 105 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.19 1pvt n LEU 105 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.82 1pvt n LEU 105 CO 0.24 0.00 0.00 -0.38 0.00 0.00 0.00 177.39 177.25 1pvt n ILE 107 N -0.00 0.00 0.20 1.96 -0.00 -1.10 -0.77 119.36 119.65 1pvt n ILE 107 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 62.75 62.60 1pvt n ILE 107 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 39.64 39.56 1pvt n ILE 107 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.55 177.00 1pvt h HIS 108 N 0.00 -0.41 -0.03 1.39 3.86 -1.24 0.12 115.15 118.84 1pvt h HIS 108 Ca 0.00 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.23 1pvt h HIS 108 Cb 0.00 0.14 -0.06 0.00 1.06 0.00 0.00 27.41 28.55 1pvt h HIS 108 CO 0.00 -0.25 -0.48 0.00 0.86 0.00 0.00 177.93 178.06 1pvt h ALA 109 N 0.23 -0.80 -0.82 2.45 0.00 -1.19 0.47 119.26 119.60 1pvt h ALA 109 Ca -0.05 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1pvt h ALA 109 Cb 0.34 0.87 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 1pvt h ALA 109 CO 0.07 -1.03 0.53 0.87 0.00 0.00 0.00 179.25 179.70 1pvt h LYS 110 N -0.61 0.84 -0.61 0.00 1.79 -1.80 -1.26 116.57 114.92 1pvt h LYS 110 Ca 0.04 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.38 1pvt h LYS 110 Cb 0.69 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.12 1pvt h LYS 110 CO -0.36 0.55 0.07 0.74 -1.08 0.00 0.00 179.45 179.37 1pvt h PHE 111 N 0.86 1.08 -0.93 -1.35 0.05 0.15 -2.54 116.94 114.26 1pvt h PHE 111 Ca 0.36 -0.15 0.03 0.00 3.82 0.00 0.00 57.97 62.02 1pvt h PHE 111 Cb 0.29 -0.30 -0.05 0.00 2.00 0.00 0.00 35.95 37.89 1pvt h PHE 111 CO -0.00 0.93 0.61 -0.22 -0.18 0.00 0.00 178.31 179.45 1pvt h LYS 112 N 0.95 1.17 0.00 1.51 3.64 0.26 -1.70 116.57 122.40 1pvt h LYS 112 Ca 0.18 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1pvt h LYS 112 Cb 0.46 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1pvt h LYS 112 CO 0.02 0.77 0.00 0.39 -2.27 0.00 0.00 179.45 178.36 1pvt n GLU 113 N -4.48 0.42 -1.54 1.90 1.02 -0.96 -4.29 120.64 112.72 1pvt n GLU 113 Ca 0.11 0.01 -0.24 0.00 -0.02 0.00 0.00 57.16 57.03 1pvt n GLU 113 Cb 0.06 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.88 1pvt n GLU 113 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1pvt n ASN 115 N -1.28 1.02 0.25 1.62 3.02 -0.77 -5.11 115.26 114.01 1pvt n ASN 115 Ca 0.14 -0.85 0.17 0.00 -0.03 0.00 0.00 54.58 54.00 1pvt n ASN 115 Cb 0.23 -1.31 0.70 0.00 -0.61 0.00 0.00 39.78 38.79 1pvt n ASN 115 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1pvt h PRO 116 N 13.88 0.00 -0.64 3.52 0.11 -1.52 -3.06 132.00 144.30 1pvt h PRO 116 Ca -0.05 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.99 1pvt h PRO 116 Cb 1.13 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1pvt h PRO 116 CO 1.22 0.00 0.14 0.93 -0.21 0.00 0.00 178.00 180.09 1pvt h GLU 117 N 0.00 1.03 -6.36 1.05 4.39 -1.94 -3.40 114.58 109.35 1pvt h GLU 117 Ca 0.00 -0.25 -0.55 0.00 0.34 0.00 0.00 59.36 58.89 1pvt h GLU 117 Cb 0.41 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.88 1pvt h GLU 117 CO 0.00 0.94 1.16 0.15 -1.16 0.00 0.00 179.01 180.10 1pvt s LYS 118 N -5.28 3.29 0.00 2.33 1.02 -1.16 -4.36 119.74 115.58 1pvt s LYS 118 Ca -0.12 0.79 0.09 0.00 0.02 0.00 0.00 55.97 56.75 1pvt s LYS 118 Cb 0.14 -4.15 -0.08 0.00 -0.52 0.00 0.00 37.83 33.21 1pvt s LYS 118 CO 0.83 -1.93 0.45 0.36 -0.92 0.00 0.00 175.35 174.13 1pvt n LYS 119 N 8.53 3.53 -4.97 1.68 2.85 -0.97 -4.83 118.16 123.99 1pvt n LYS 119 Ca 0.17 -0.12 -0.30 0.00 -1.05 0.00 0.00 58.31 57.01 1pvt n LYS 119 Cb 0.49 -0.97 -0.15 0.00 -0.65 0.00 0.00 35.03 33.75 1pvt n LYS 119 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1pvt s ALA 120 N -1.79 2.20 -0.08 0.58 0.00 -0.89 -0.15 121.76 121.63 1pvt s ALA 120 Ca 0.04 -1.23 -0.00 0.00 0.00 0.00 0.00 51.96 50.78 1pvt s ALA 120 Cb 0.07 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.74 1pvt s ALA 120 CO 0.36 0.52 -0.05 0.42 0.00 0.00 0.00 175.76 177.02 1pvt s ILE 121 N -0.76 0.71 -0.16 0.00 1.01 0.80 -2.33 121.20 120.47 1pvt s ILE 121 Ca 0.11 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.64 1pvt s ILE 121 Cb -0.10 -0.77 0.01 0.00 0.01 0.00 0.00 42.46 41.62 1pvt s ILE 121 CO 0.01 0.30 -0.21 -0.69 0.00 0.00 0.00 174.94 174.36 1pvt s VAL 122 N 1.52 2.10 -0.17 2.92 1.01 -0.05 -0.68 120.40 127.06 1pvt s VAL 122 Ca -0.01 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.04 1pvt s VAL 122 Cb -0.13 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.40 1pvt s VAL 122 CO -0.04 0.54 -0.19 -2.28 0.00 0.00 0.00 175.10 173.13 1pvt s HIS 123 N 1.03 2.76 0.31 5.22 5.04 -0.29 -0.10 115.29 129.25 1pvt s HIS 123 Ca -0.02 -1.47 -0.06 0.00 -1.54 0.00 0.00 55.06 51.97 1pvt s HIS 123 Cb -0.14 -1.90 0.00 0.00 0.04 0.00 0.00 32.58 30.58 1pvt s HIS 123 CO -0.07 -0.71 0.47 -0.08 -2.34 0.00 0.00 174.74 172.01 1pvt s THR 124 N 1.12 0.00 -0.75 0.89 -1.32 -0.70 -1.42 115.64 113.46 1pvt s THR 124 Ca 0.01 -1.53 0.04 0.00 -1.21 0.00 0.00 61.69 58.99 1pvt s THR 124 Cb -0.14 -2.51 0.18 0.00 -1.51 0.00 0.00 72.50 68.52 1pvt s THR 124 CO -0.08 0.00 0.58 1.41 -2.21 0.00 0.00 174.62 174.32 1pvt n HIS 125 N -0.49 3.49 -1.86 9.09 8.25 -1.23 -1.28 115.22 131.20 1pvt n HIS 125 Ca -0.00 -4.27 -0.42 0.00 -0.26 0.00 0.00 57.72 52.77 1pvt n HIS 125 Cb 0.62 -0.74 -0.03 0.00 1.12 0.00 0.00 29.99 30.96 1pvt n HIS 125 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 1pvt s PRO 126 N -1.52 4.18 0.16 -0.41 0.02 -1.24 -4.73 135.00 131.46 1pvt s PRO 126 Ca 0.26 2.46 -0.22 0.00 0.02 0.00 0.00 61.00 63.52 1pvt s PRO 126 Cb -0.04 -3.11 0.06 0.00 0.02 0.00 0.00 34.50 31.43 1pvt s PRO 126 CO -0.15 -0.64 1.61 1.25 -0.33 0.00 0.00 177.00 178.75 1pvt h LEU 127 N 6.36 -0.90 -0.41 -5.54 5.85 -1.84 0.16 115.31 118.98 1pvt h LEU 127 Ca -0.44 0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.36 1pvt h LEU 127 Cb 1.21 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 1pvt h LEU 127 CO 0.90 -0.29 -0.11 0.78 -0.34 0.00 0.00 178.44 179.38 1pvt h ASN 128 N -0.23 0.81 0.19 1.25 2.35 -1.91 0.41 115.58 118.45 1pvt h ASN 128 Ca 0.17 -0.37 -0.07 0.00 -0.55 0.00 0.00 56.30 55.48 1pvt h ASN 128 Cb 0.50 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1pvt h ASN 128 CO -0.48 0.99 -0.26 0.25 -1.65 0.00 0.00 177.43 176.29 1pvt h LEU 129 N 0.62 0.12 0.59 1.61 5.85 -1.83 0.23 115.31 122.50 1pvt h LEU 129 Ca 0.10 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1pvt h LEU 129 Cb 0.64 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.64 1pvt h LEU 129 CO 0.04 0.39 -0.28 0.25 -0.34 0.00 0.00 178.44 178.50 1pvt h LEU 130 N 0.12 -0.67 -0.64 2.25 5.85 -0.30 -3.18 115.31 118.74 1pvt h LEU 130 Ca 0.02 -0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.86 1pvt h LEU 130 Cb 0.53 0.17 -0.12 0.00 0.37 0.00 0.00 40.66 41.61 1pvt h LEU 130 CO 0.04 -0.27 -0.23 0.74 -0.34 0.00 0.00 178.44 178.38 1pvt h THR 131 N -1.17 0.27 0.00 1.05 2.02 0.19 -3.03 112.91 112.23 1pvt h THR 131 Ca -0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1pvt h THR 131 Cb 0.63 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1pvt h THR 131 CO 0.13 0.00 0.00 -0.11 0.37 0.00 0.00 175.52 175.91 1pvt n LEU 132 N -5.45 0.00 0.00 2.58 -0.00 0.76 -3.97 117.00 110.92 1pvt n LEU 132 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1pvt n LEU 132 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 1pvt n LEU 132 CO 0.02 0.00 0.00 -3.20 -0.00 0.00 0.00 177.39 174.21 1pvt n ASN 134 N 1.43 -0.61 -4.78 1.96 2.85 -1.15 -4.78 115.26 110.18 1pvt n ASN 134 Ca 0.00 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.11 1pvt n ASN 134 Cb 0.00 -0.85 -0.07 0.00 1.24 0.00 0.00 39.78 40.10 1pvt n ASN 134 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1pvt s LEU 135 N 0.00 4.30 0.11 1.20 1.43 -1.25 -5.02 118.68 119.44 1pvt s LEU 135 Ca 0.00 0.46 -0.32 0.00 -1.03 0.00 0.00 54.13 53.23 1pvt s LEU 135 Cb 0.00 -2.22 -0.13 0.00 0.03 0.00 0.00 46.19 43.87 1pvt s LEU 135 CO 0.00 0.24 1.52 -0.33 0.23 0.00 0.00 176.35 178.01 1pvt h GLU 136 N 5.99 -0.60 -2.48 1.70 4.39 -1.98 -2.03 114.58 119.57 1pvt h GLU 136 Ca -0.46 0.04 -0.28 0.00 0.34 0.00 0.00 59.36 59.00 1pvt h GLU 136 Cb 1.18 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.94 1pvt h GLU 136 CO 0.69 -0.40 0.87 -0.85 -1.16 0.00 0.00 179.01 178.16 1pvt n GLU 137 N -5.30 2.09 -0.04 2.33 0.28 -1.26 -4.41 120.64 114.34 1pvt n GLU 137 Ca -0.07 -1.16 -0.14 0.00 -0.16 0.00 0.00 57.16 55.63 1pvt n GLU 137 Cb 0.37 -2.14 -0.11 0.00 1.43 0.00 0.00 31.44 30.99 1pvt n GLU 137 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1pvt h PHE 138 N 4.13 0.11 -1.00 -1.84 3.57 -1.67 -3.32 116.94 116.91 1pvt h PHE 138 Ca 0.33 -0.05 0.14 0.00 3.53 0.00 0.00 57.97 61.92 1pvt h PHE 138 Cb 0.95 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.58 1pvt h PHE 138 CO 1.73 0.81 0.63 1.96 -2.23 0.00 0.00 178.31 181.21 1pvt h GLN 139 N -0.62 0.91 0.00 1.11 1.08 -1.86 -1.73 115.11 114.00 1pvt h GLN 139 Ca -0.01 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1pvt h GLN 139 Cb 0.83 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1pvt h GLN 139 CO 0.02 0.60 0.00 0.39 -0.95 0.00 0.00 178.83 178.89 1pvt n GLU 140 N -4.66 0.80 -0.06 1.46 -0.58 -1.25 -3.39 120.64 112.96 1pvt n GLU 140 Ca 0.20 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.86 1pvt n GLU 140 Cb 0.41 -1.13 -0.06 0.00 -0.57 0.00 0.00 31.44 30.08 1pvt n GLU 140 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1pvt n LEU 141 N -0.63 2.12 -0.33 -4.62 4.77 -0.65 -4.61 117.00 113.05 1pvt n LEU 141 Ca 0.05 -0.05 0.24 0.00 -0.03 0.00 0.00 56.01 56.22 1pvt n LEU 141 Cb 0.02 -0.24 0.45 0.00 -2.33 0.00 0.00 43.42 41.32 1pvt n LEU 141 CO 0.04 0.57 0.94 -0.07 -1.33 0.00 0.00 177.39 177.55 1pvt h LEU 142 N 0.00 -0.04 0.82 2.23 3.38 -1.56 -1.19 115.31 118.95 1pvt h LEU 142 Ca -0.28 0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1pvt h LEU 142 Cb 1.48 0.37 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1pvt h LEU 142 CO -0.03 -0.39 -0.43 -0.65 0.09 0.00 0.00 178.44 177.04 1pvt h PRO 143 N 0.02 -1.11 -5.49 1.13 0.11 -1.81 -3.43 132.00 121.42 1pvt h PRO 143 Ca 0.73 0.08 -0.12 0.00 0.11 0.00 0.00 66.00 66.79 1pvt h PRO 143 Cb 1.75 0.25 -0.02 0.00 0.11 0.00 0.00 31.00 33.10 1pvt h PRO 143 CO -0.83 -0.74 0.30 0.15 -0.21 0.00 0.00 178.00 176.67 1pvt s LYS 144 N -6.00 1.96 -1.26 1.05 -0.14 -0.45 -4.85 119.74 110.05 1pvt s LYS 144 Ca -0.19 0.15 -0.05 0.00 -1.36 0.00 0.00 55.97 54.52 1pvt s LYS 144 Cb 0.03 -4.90 0.03 0.00 -1.68 0.00 0.00 37.83 31.31 1pvt s LYS 144 CO 0.61 -4.07 0.32 1.17 -0.76 0.00 0.00 175.35 172.62 1pvt n LYS 147 N 8.81 -3.19 0.19 1.68 4.81 -1.26 -4.89 118.16 124.31 1pvt n LYS 147 Ca 0.44 0.60 0.07 0.00 -0.87 0.00 0.00 58.31 58.55 1pvt n LYS 147 Cb 0.45 -5.30 0.35 0.00 0.02 0.00 0.00 35.03 30.54 1pvt n LYS 147 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1pvt h ILE 148 N -0.67 0.78 -1.84 3.15 2.04 -1.94 -3.44 117.51 115.58 1pvt h ILE 148 Ca -0.40 -1.45 0.01 0.00 1.00 0.00 0.00 64.86 64.01 1pvt h ILE 148 Cb 1.28 1.92 -0.23 0.00 -0.74 0.00 0.00 36.82 39.05 1pvt h ILE 148 CO 0.47 0.33 0.24 -1.38 0.00 0.00 0.00 178.15 177.82 1pvt s HIS 149 N -3.57 -0.70 0.14 1.37 -3.43 -1.26 -5.06 115.29 102.78 1pvt s HIS 149 Ca 0.01 1.65 -0.14 0.00 -0.80 0.00 0.00 55.06 55.77 1pvt s HIS 149 Cb 0.10 0.34 0.09 0.00 -1.43 0.00 0.00 32.58 31.68 1pvt s HIS 149 CO 0.68 -0.34 1.01 -2.30 -2.00 0.00 0.00 174.74 171.79 1pvt n PRO 150 N 2.71 -0.20 -0.09 -0.38 -0.02 -1.26 -1.48 135.00 134.28 1pvt n PRO 150 Ca -0.14 1.00 0.09 0.00 -2.02 0.00 0.00 63.50 62.43 1pvt n PRO 150 Cb 0.56 -1.48 0.16 0.00 -0.02 0.00 0.00 33.50 32.72 1pvt n PRO 150 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1pvt n GLU 151 N -4.92 -0.02 0.15 -0.52 -0.58 -1.26 -0.15 120.64 113.34 1pvt n GLU 151 Ca 0.05 0.41 -0.11 0.00 -0.42 0.00 0.00 57.16 57.09 1pvt n GLU 151 Cb 0.23 -0.72 -0.07 0.00 -0.57 0.00 0.00 31.44 30.32 1pvt n GLU 151 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1pvt h VAL 152 N 0.00 0.49 -0.93 2.62 2.07 -1.63 -3.14 116.25 115.72 1pvt h VAL 152 Ca 0.24 -0.76 0.16 0.00 0.82 0.00 0.00 66.70 67.16 1pvt h VAL 152 Cb 0.62 0.77 -0.16 0.00 -1.52 0.00 0.00 31.29 31.00 1pvt h VAL 152 CO -0.23 0.11 -0.34 -0.07 0.02 0.00 0.00 177.57 177.06 1pvt h LEU 153 N -0.95 -1.25 0.28 2.57 3.38 -0.72 0.74 115.31 119.36 1pvt h LEU 153 Ca -0.04 0.29 0.01 0.00 0.09 0.00 0.00 57.88 58.22 1pvt h LEU 153 Cb 0.51 0.69 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 1pvt h LEU 153 CO 0.07 -0.30 -0.40 0.40 0.09 0.00 0.00 178.44 178.31 1pvt h ILE 154 N -0.02 0.19 0.00 1.22 2.04 -1.63 0.12 117.51 119.42 1pvt h ILE 154 Ca 0.36 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.22 1pvt h ILE 154 Cb 0.62 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1pvt h ILE 154 CO -0.94 0.00 0.00 -0.26 0.00 0.00 0.00 178.15 176.95 1pvt h PHE 155 N -0.74 0.00 -2.14 1.37 -1.00 -1.21 -3.32 116.94 109.90 1pvt h PHE 155 Ca -0.01 0.00 -0.58 0.00 2.81 0.00 0.00 57.97 60.20 1pvt h PHE 155 Cb 0.70 0.00 -0.40 0.00 3.61 0.00 0.00 35.95 39.86 1pvt h PHE 155 CO -0.28 0.00 -0.95 1.19 -1.61 0.00 0.00 178.31 176.66 1pvt n PHE 156 N -2.93 0.62 -0.20 -0.55 3.01 0.25 -4.80 117.46 112.86 1pvt n PHE 156 Ca 0.02 -3.70 -0.04 0.00 1.01 0.00 0.00 57.45 54.74 1pvt n PHE 156 Cb 0.34 -0.33 0.07 0.00 -0.01 0.00 0.00 39.48 39.54 1pvt n PHE 156 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1pvt h PRO 157 N 4.31 0.62 0.03 -1.08 0.11 -0.90 -2.47 132.00 132.62 1pvt h PRO 157 Ca 0.13 -0.04 -0.23 0.00 0.11 0.00 0.00 66.00 65.97 1pvt h PRO 157 Cb 0.83 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.78 1pvt h PRO 157 CO 0.55 0.41 -1.13 1.96 -0.21 0.00 0.00 178.00 179.58 1pvt h GLN 158 N 0.64 0.07 0.00 1.05 7.50 -1.92 -3.50 115.11 118.95 1pvt h GLN 158 Ca 0.25 -0.12 0.00 0.00 0.50 0.00 0.00 58.65 59.28 1pvt h GLN 158 Cb 0.10 0.04 0.00 0.00 0.05 0.00 0.00 27.48 27.68 1pvt h GLN 158 CO -0.14 1.02 0.00 0.41 -1.50 0.00 0.00 178.83 178.61 1pvt n GLY 159 N 1.42 -0.97 3.41 3.46 0.00 -0.93 -5.06 105.19 106.52 1pvt n GLY 159 Ca -0.04 -2.12 -0.20 0.00 0.00 0.00 0.00 46.02 43.66 1pvt n GLY 159 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pvt s ILE 160 N 0.00 1.26 0.03 -0.61 -4.36 -1.26 -4.48 121.20 111.79 1pvt s ILE 160 Ca 0.00 -2.04 0.02 0.00 -0.26 0.00 0.00 60.65 58.37 1pvt s ILE 160 Cb 0.00 -2.57 -0.02 0.00 1.25 0.00 0.00 42.46 41.12 1pvt s ILE 160 CO 0.00 -0.17 -0.08 -0.94 0.24 0.00 0.00 174.94 173.99 1pvt s SER 161 N -3.42 0.90 0.28 4.36 1.04 -1.24 -5.04 113.70 110.59 1pvt s SER 161 Ca 0.32 -0.46 -0.00 0.00 0.48 0.00 0.00 55.95 56.30 1pvt s SER 161 Cb 0.07 0.00 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 1pvt s SER 161 CO 0.13 -0.13 0.48 -0.69 0.98 0.00 0.00 173.24 174.00 1pvt s VAL 162 N -1.08 5.15 -0.07 5.02 1.01 -1.26 -0.97 120.40 128.18 1pvt s VAL 162 Ca -0.06 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1pvt s VAL 162 Cb -0.08 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.52 1pvt s VAL 162 CO 0.00 -0.38 -0.00 -0.69 0.00 0.00 0.00 175.10 174.03 1pvt s VAL 163 N -2.10 0.41 -0.26 2.92 1.01 -0.10 -4.87 120.40 117.42 1pvt s VAL 163 Ca 0.39 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 1pvt s VAL 163 Cb -0.10 -0.57 -0.06 0.00 0.00 0.00 0.00 36.38 35.65 1pvt s VAL 163 CO 0.32 0.26 2.24 -0.62 0.00 0.00 0.00 175.10 177.31 1pvt n GLU 164 N 5.14 1.78 -2.48 2.72 4.71 -1.26 -2.54 120.64 128.71 1pvt n GLU 164 Ca -0.07 0.46 -0.43 0.00 -0.01 0.00 0.00 57.16 57.11 1pvt n GLU 164 Cb 0.50 -3.17 -0.02 0.00 -1.01 0.00 0.00 31.44 27.74 1pvt n GLU 164 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 1pvt s PHE 165 N 8.58 2.98 0.03 -0.32 5.36 -1.26 -4.90 117.98 128.45 1pvt s PHE 165 Ca 1.02 1.13 -0.01 0.00 -0.96 0.00 0.00 56.93 58.10 1pvt s PHE 165 Cb -0.38 -3.45 -0.00 0.00 -0.34 0.00 0.00 43.02 38.85 1pvt s PHE 165 CO 0.36 -1.41 -0.02 0.39 -1.46 0.00 0.00 175.22 173.08 1pvt n GLU 166 N 6.39 0.03 -4.73 10.12 -0.58 -1.26 -5.06 120.64 125.54 1pvt n GLU 166 Ca 0.13 0.01 -0.33 0.00 -0.42 0.00 0.00 57.16 56.55 1pvt n GLU 166 Cb 0.45 -0.30 -0.14 0.00 -0.57 0.00 0.00 31.44 30.88 1pvt n GLU 166 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1pvt s LYS 167 N -1.50 3.42 -0.02 3.49 1.02 -1.26 -5.10 119.74 119.80 1pvt s LYS 167 Ca -0.01 -0.67 -0.30 0.00 0.02 0.00 0.00 55.97 55.01 1pvt s LYS 167 Cb 0.00 -2.66 -0.06 0.00 -0.52 0.00 0.00 37.83 34.58 1pvt s LYS 167 CO 0.02 0.22 1.70 -2.14 -0.92 0.00 0.00 175.35 174.23 1pvt s PRO 168 N 0.35 4.18 -1.50 -1.68 0.02 -1.26 -3.55 135.00 131.56 1pvt s PRO 168 Ca -0.10 2.27 -0.10 0.00 0.02 0.00 0.00 61.00 63.09 1pvt s PRO 168 Cb -0.16 -3.96 0.07 0.00 0.02 0.00 0.00 34.50 30.48 1pvt s PRO 168 CO 0.05 -0.84 0.81 0.41 -0.33 0.00 0.00 177.00 177.11 1pvt n GLY 169 N 4.17 -0.41 3.98 0.52 0.00 -1.26 -4.87 105.19 107.32 1pvt n GLY 169 Ca 0.17 0.16 -0.20 0.00 0.00 0.00 0.00 46.02 46.16 1pvt n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pvt s SER 170 N -3.68 6.11 0.25 1.61 1.04 -1.23 -4.05 113.70 113.74 1pvt s SER 170 Ca 0.45 -0.09 -0.05 0.00 0.48 0.00 0.00 55.95 56.75 1pvt s SER 170 Cb -0.23 -1.49 0.27 0.00 0.10 0.00 0.00 66.02 64.68 1pvt s SER 170 CO 0.85 -0.28 1.80 0.58 0.98 0.00 0.00 173.24 177.17 1pvt h VAL 171 N 1.01 1.24 -0.06 5.02 2.07 -1.93 -2.86 116.25 120.74 1pvt h VAL 171 Ca -0.48 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 66.25 1pvt h VAL 171 Cb 1.25 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 1pvt h VAL 171 CO 0.56 0.32 -0.25 -0.08 0.02 0.00 0.00 177.57 178.14 1pvt h GLU 172 N 0.99 -0.34 -0.71 1.57 4.81 -1.94 0.54 114.58 119.49 1pvt h GLU 172 Ca 0.22 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.63 1pvt h GLU 172 Cb 0.26 0.08 -0.13 0.00 0.63 0.00 0.00 28.75 29.59 1pvt h GLU 172 CO -0.01 -0.23 -0.06 1.25 -0.73 0.00 0.00 179.01 179.23 1pvt h LEU 173 N -0.36 -0.45 0.85 1.64 5.85 -1.77 0.56 115.31 121.63 1pvt h LEU 173 Ca 0.08 0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 1pvt h LEU 173 Cb 0.47 0.37 0.01 0.00 0.37 0.00 0.00 40.66 41.88 1pvt h LEU 173 CO -0.27 -0.19 -0.41 1.23 -0.34 0.00 0.00 178.44 178.46 1pvt h GLY 174 N 0.06 -1.19 -0.23 3.75 0.00 -1.09 0.21 103.07 104.57 1pvt h GLY 174 Ca 0.37 0.44 0.08 0.00 0.00 0.00 0.00 47.33 48.22 1pvt h GLY 174 CO -0.67 -0.43 -0.38 1.41 0.00 0.00 0.00 176.54 176.47 1pvt h LEU 175 N -1.17 -1.25 -0.04 3.11 3.38 0.09 0.33 115.31 119.75 1pvt h LEU 175 Ca -0.12 0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1pvt h LEU 175 Cb 0.88 0.57 -0.06 0.00 0.09 0.00 0.00 40.66 42.14 1pvt h LEU 175 CO 0.19 -0.35 -0.53 0.11 0.09 0.00 0.00 178.44 177.96 1pvt h LYS 176 N -0.29 -0.62 -0.65 1.13 1.57 0.20 -2.42 116.57 115.50 1pvt h LYS 176 Ca 0.16 0.04 0.13 0.00 -1.87 0.00 0.00 60.65 59.11 1pvt h LYS 176 Cb 0.56 0.14 -0.12 0.00 0.08 0.00 0.00 32.23 32.89 1pvt h LYS 176 CO -0.56 -0.41 -0.12 1.15 -0.57 0.00 0.00 179.45 178.94 1pvt h THR 177 N -0.64 0.38 -0.98 -0.16 2.02 0.79 -0.63 112.91 113.68 1pvt h THR 177 Ca 0.02 -0.01 0.09 0.00 0.77 0.00 0.00 66.41 67.29 1pvt h THR 177 Cb 0.71 0.35 -0.08 0.00 -1.74 0.00 0.00 68.15 67.39 1pvt h THR 177 CO -0.38 0.00 0.62 0.58 0.37 0.00 0.00 175.52 176.71 1pvt h VAL 178 N 0.03 0.99 -0.02 3.16 2.07 0.05 0.64 116.25 123.17 1pvt h VAL 178 Ca 0.32 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1pvt h VAL 178 Cb 0.50 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1pvt h VAL 178 CO -0.64 0.19 0.01 -0.33 0.02 0.00 0.00 177.57 176.82 1pvt h GLU 179 N 1.05 0.02 -0.06 1.57 5.08 -0.68 -2.33 114.58 119.23 1pvt h GLU 179 Ca 0.46 -0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.68 1pvt h GLU 179 Cb 0.33 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1pvt h GLU 179 CO -0.22 0.03 -0.55 0.87 -1.00 0.00 0.00 179.01 178.13 1pvt h LYS 180 N 0.01 0.19 -1.06 2.33 1.79 -1.19 -2.93 116.57 115.71 1pvt h LYS 180 Ca 0.01 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1pvt h LYS 180 Cb 0.01 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1pvt h LYS 180 CO -0.00 0.70 0.00 0.45 -1.08 0.00 0.00 179.45 179.51 1pvt n SER 181 N -3.90 2.40 -4.57 0.86 2.88 0.22 -4.73 113.62 106.77 1pvt n SER 181 Ca -0.02 -1.81 -0.40 0.00 -1.33 0.00 0.00 58.87 55.31 1pvt n SER 181 Cb 0.58 -0.45 -0.03 0.00 -0.75 0.00 0.00 64.21 63.56 1pvt n SER 181 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1pvt s GLU 182 N -0.10 2.79 0.00 -1.46 2.56 -1.10 -2.90 118.70 118.48 1pvt s GLU 182 Ca 0.00 1.27 0.00 0.00 0.00 0.00 0.00 54.97 56.24 1pvt s GLU 182 Cb 0.00 -4.38 0.00 0.00 2.00 0.00 0.00 34.13 31.75 1pvt s GLU 182 CO 0.00 -2.51 0.00 0.41 -0.56 0.00 0.00 175.26 172.60 1pvt n GLY 183 N 5.70 0.00 3.91 -1.50 0.00 -1.26 -4.93 105.19 107.11 1pvt n GLY 183 Ca 0.27 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 1pvt n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pvt s LYS 184 N -1.42 3.58 -0.18 1.61 1.02 -1.14 -4.95 119.74 118.25 1pvt s LYS 184 Ca 0.00 0.04 0.16 0.00 0.02 0.00 0.00 55.97 56.18 1pvt s LYS 184 Cb 0.00 -2.53 0.65 0.00 -0.52 0.00 0.00 37.83 35.42 1pvt s LYS 184 CO 0.00 0.03 1.56 -0.25 -0.92 0.00 0.00 175.35 175.77 1pvt n ASP 185 N -1.62 4.61 -3.64 2.83 8.00 -1.26 -4.92 116.55 120.54 1pvt n ASP 185 Ca -0.01 -2.88 -0.05 0.00 0.71 0.00 0.00 54.79 52.56 1pvt n ASP 185 Cb 0.55 -0.58 -0.07 0.00 -0.02 0.00 0.00 41.12 41.00 1pvt n ASP 185 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pvt s ALA 186 N -2.61 -2.15 -0.05 2.24 0.00 -1.26 -2.84 121.76 115.08 1pvt s ALA 186 Ca 0.47 1.81 0.02 0.00 0.00 0.00 0.00 51.96 54.26 1pvt s ALA 186 Cb 0.36 -1.65 0.01 0.00 0.00 0.00 0.00 23.12 21.83 1pvt s ALA 186 CO 0.13 -0.18 -0.11 0.08 0.00 0.00 0.00 175.76 175.68 1pvt s VAL 187 N 0.25 1.02 -0.38 0.00 1.01 -0.66 -3.60 120.40 118.04 1pvt s VAL 187 Ca 0.04 -0.44 -0.15 0.00 0.00 0.00 0.00 61.98 61.43 1pvt s VAL 187 Cb -0.05 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.41 1pvt s VAL 187 CO -0.12 0.32 0.35 -0.76 0.00 0.00 0.00 175.10 174.89 1pvt s LEU 188 N 0.51 4.72 -0.76 3.92 1.43 -0.15 -1.37 118.68 126.97 1pvt s LEU 188 Ca -0.10 -0.53 -0.27 0.00 -1.03 0.00 0.00 54.13 52.20 1pvt s LEU 188 Cb -0.13 -2.28 0.03 0.00 0.03 0.00 0.00 46.19 43.84 1pvt s LEU 188 CO 0.02 -0.41 1.34 0.26 0.23 0.00 0.00 176.35 177.79 1pvt s TRP 189 N 1.92 2.26 -0.45 0.29 0.51 -0.65 -0.92 118.94 121.91 1pvt s TRP 189 Ca 0.09 -0.08 -0.45 0.00 -2.12 0.00 0.00 56.10 53.54 1pvt s TRP 189 Cb -0.17 -4.60 -0.19 0.00 -0.81 0.00 0.00 33.47 27.70 1pvt s TRP 189 CO 0.12 -2.08 1.64 -3.47 -0.51 0.00 0.00 176.95 172.65 1pvt n ASP 190 N 9.58 1.48 0.00 2.95 -0.08 -1.05 0.11 116.55 129.53 1pvt n ASP 190 Ca 0.08 1.16 0.00 0.00 -1.51 0.00 0.00 54.79 54.52 1pvt n ASP 190 Cb 0.49 -0.94 0.00 0.00 2.34 0.00 0.00 41.12 43.02 1pvt n ASP 190 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1pvt n LYS 191 N 4.34 0.00 -2.54 -0.67 3.00 -1.26 -4.39 118.16 116.64 1pvt n LYS 191 Ca 0.30 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.44 1pvt n LYS 191 Cb -0.02 -1.49 0.02 0.00 0.00 0.00 0.00 35.03 33.54 1pvt n LYS 191 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1pvt n HIS 192 N -2.00 2.24 -4.64 5.64 8.25 0.30 -5.11 115.22 119.90 1pvt n HIS 192 Ca 0.00 -2.80 0.00 0.00 -0.26 0.00 0.00 57.72 54.66 1pvt n HIS 192 Cb 0.00 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 30.87 1pvt n HIS 192 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pvt n GLY 193 N -0.35 0.64 3.18 -1.41 0.00 -1.21 -4.57 105.19 101.47 1pvt n GLY 193 Ca 0.24 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 1pvt n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pvt s VAL 194 N 0.00 0.12 -0.07 1.61 0.11 -0.41 -1.63 120.40 120.13 1pvt s VAL 194 Ca 0.00 -1.72 0.02 0.00 -2.93 0.00 0.00 61.98 57.35 1pvt s VAL 194 Cb 0.00 -1.84 0.02 0.00 -1.53 0.00 0.00 36.38 33.03 1pvt s VAL 194 CO 0.00 -0.55 -0.11 -0.69 -3.33 0.00 0.00 175.10 170.42 1pvt s VAL 195 N -3.99 1.06 0.07 2.04 1.01 -0.47 -1.71 120.40 118.40 1pvt s VAL 195 Ca 0.18 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.83 1pvt s VAL 195 Cb 0.06 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1pvt s VAL 195 CO -0.02 0.35 -0.23 0.00 0.00 0.00 0.00 175.10 175.19 1pvt s ALA 196 N 0.88 2.01 0.37 5.51 0.00 0.85 -1.66 121.76 129.72 1pvt s ALA 196 Ca -0.11 -1.22 0.09 0.00 0.00 0.00 0.00 51.96 50.72 1pvt s ALA 196 Cb -0.15 -0.37 -0.06 0.00 0.00 0.00 0.00 23.12 22.53 1pvt s ALA 196 CO 0.01 0.45 -0.02 -0.06 0.00 0.00 0.00 175.76 176.14 1pvt s PHE 197 N -0.90 2.49 0.00 0.00 0.40 -1.13 -0.87 117.98 117.96 1pvt s PHE 197 Ca 0.10 -0.53 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 1pvt s PHE 197 Cb -0.10 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 41.88 1pvt s PHE 197 CO 0.03 0.49 0.00 0.41 0.70 0.00 0.00 175.22 176.85 1pvt n GLY 198 N -0.91 0.68 0.42 4.36 0.00 -0.98 -4.15 105.19 104.61 1pvt n GLY 198 Ca -0.04 -0.79 0.22 0.00 0.00 0.00 0.00 46.02 45.41 1pvt n GLY 198 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pvt h LYS 199 N 0.00 0.24 -3.45 1.61 1.79 -1.91 -2.27 116.57 112.59 1pvt h LYS 199 Ca 0.00 -0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.41 1pvt h LYS 199 Cb 0.00 -0.06 -0.12 0.00 -1.58 0.00 0.00 32.23 30.47 1pvt h LYS 199 CO 0.00 0.16 -0.09 0.16 -1.08 0.00 0.00 179.45 178.60 1pvt s ASP 200 N -5.66 -0.19 0.25 0.86 -4.77 -1.26 -4.05 116.67 101.85 1pvt s ASP 200 Ca -0.07 -0.46 -0.05 0.00 -3.30 0.00 0.00 52.55 48.67 1pvt s ASP 200 Cb 0.22 0.50 0.48 0.00 -1.09 0.00 0.00 42.92 43.02 1pvt s ASP 200 CO 0.78 -0.92 1.66 1.62 0.70 0.00 0.00 175.17 179.01 1pvt h VAL 201 N 2.35 0.42 -0.90 2.11 3.04 -1.90 0.19 116.25 121.56 1pvt h VAL 201 Ca -0.32 -0.06 0.16 0.00 -1.01 0.00 0.00 66.70 65.47 1pvt h VAL 201 Cb 1.25 0.22 -0.07 0.00 -2.01 0.00 0.00 31.29 30.68 1pvt h VAL 201 CO 0.44 0.03 0.58 0.00 -1.01 0.00 0.00 177.57 177.62 1pvt h ALA 202 N 1.67 1.89 -0.17 3.17 0.00 -1.97 0.11 119.26 123.95 1pvt h ALA 202 Ca 0.43 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 55.16 1pvt h ALA 202 Cb 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1pvt h ALA 202 CO -0.59 -0.15 -0.70 1.49 0.00 0.00 0.00 179.25 179.30 1pvt h GLU 203 N 0.64 0.72 0.09 0.00 4.81 -1.02 -1.67 114.58 118.14 1pvt h GLU 203 Ca 0.46 -0.54 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1pvt h GLU 203 Cb 0.82 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1pvt h GLU 203 CO -0.22 1.16 -0.04 0.00 -0.73 0.00 0.00 179.01 179.18 1pvt h ALA 204 N 0.70 -0.12 -0.90 2.92 0.00 -0.45 -2.31 119.26 119.11 1pvt h ALA 204 Ca -0.03 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 54.96 1pvt h ALA 204 Cb 1.30 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 19.05 1pvt h ALA 204 CO 0.14 -0.54 0.51 -0.92 0.00 0.00 0.00 179.25 178.45 1pvt h TYR 205 N -0.17 0.92 -0.45 0.00 3.20 -0.83 -0.44 116.97 119.20 1pvt h TYR 205 Ca -0.01 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.94 1pvt h TYR 205 Cb 0.14 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 1pvt h TYR 205 CO -0.06 0.31 0.30 -0.44 -1.64 0.00 0.00 178.16 176.64 1pvt h ASP 206 N 0.79 0.35 0.90 -2.11 5.19 -0.77 -1.75 116.42 119.02 1pvt h ASP 206 Ca 0.46 -0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.69 1pvt h ASP 206 Cb 0.54 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.95 1pvt h ASP 206 CO -0.30 0.24 -0.87 0.03 -3.12 0.00 0.00 179.24 175.21 1pvt h ARG 207 N 0.41 0.00 0.66 3.56 3.08 -0.65 -2.54 114.38 118.89 1pvt h ARG 207 Ca 0.19 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 1pvt h ARG 207 Cb 0.25 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.31 1pvt h ARG 207 CO -0.05 0.87 -0.32 0.28 -1.07 0.00 0.00 179.97 179.69 1pvt h VAL 208 N 0.00 0.24 -0.65 2.04 2.07 -0.97 -0.21 116.25 118.76 1pvt h VAL 208 Ca -0.01 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.34 1pvt h VAL 208 Cb 1.56 0.30 -0.10 0.00 -1.52 0.00 0.00 31.29 31.54 1pvt h VAL 208 CO 0.11 0.02 -0.57 -0.33 0.02 0.00 0.00 177.57 176.83 1pvt h GLU 209 N -1.07 -0.22 -0.26 1.57 5.08 -1.40 0.15 114.58 118.43 1pvt h GLU 209 Ca -0.09 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1pvt h GLU 209 Cb 0.71 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 1pvt h GLU 209 CO 0.15 -0.15 -0.09 0.82 -1.00 0.00 0.00 179.01 178.74 1pvt h ILE 210 N -0.23 0.68 -0.59 3.13 2.04 -1.44 0.15 117.51 121.26 1pvt h ILE 210 Ca 0.11 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.05 1pvt h ILE 210 Cb 0.51 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 1pvt h ILE 210 CO -0.73 0.00 0.25 -0.07 0.00 0.00 0.00 178.15 177.59 1pvt h LEU 211 N -0.04 0.29 -0.07 1.44 3.38 0.00 -0.75 115.31 119.55 1pvt h LEU 211 Ca 0.13 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.19 1pvt h LEU 211 Cb 0.24 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1pvt h LEU 211 CO -0.29 0.18 -0.07 -0.08 0.09 0.00 0.00 178.44 178.26 1pvt h GLU 212 N 0.45 -0.09 -0.49 1.13 4.22 0.36 -0.19 114.58 119.98 1pvt h GLU 212 Ca 0.28 0.01 0.08 0.00 0.08 0.00 0.00 59.36 59.81 1pvt h GLU 212 Cb 0.30 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 1pvt h GLU 212 CO -0.26 -0.06 0.13 -0.22 -2.18 0.00 0.00 179.01 176.42 1pvt h LYS 213 N -0.10 0.27 -0.77 1.92 3.64 0.02 0.53 116.57 122.09 1pvt h LYS 213 Ca 0.06 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1pvt h LYS 213 Cb 0.18 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 1pvt h LYS 213 CO -0.13 0.18 0.41 0.00 -2.27 0.00 0.00 179.45 177.64 1pvt h ALA 214 N 1.36 0.98 -0.29 5.00 0.00 -0.75 0.18 119.26 125.74 1pvt h ALA 214 Ca 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1pvt h ALA 214 Cb 0.29 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1pvt h ALA 214 CO -0.29 0.50 0.13 0.00 0.00 0.00 0.00 179.25 179.59 1pvt h ALA 215 N 1.21 0.38 -0.81 0.00 0.00 0.37 -0.43 119.26 119.99 1pvt h ALA 215 Ca 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1pvt h ALA 215 Cb 0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1pvt h ALA 215 CO -0.04 -0.04 0.52 1.49 0.00 0.00 0.00 179.25 181.17 1pvt h GLU 216 N 0.33 1.08 -0.41 0.00 4.81 0.69 -0.29 114.58 120.79 1pvt h GLU 216 Ca 0.10 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1pvt h GLU 216 Cb 0.15 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1pvt h GLU 216 CO -0.01 0.73 0.04 0.82 -0.73 0.00 0.00 179.01 179.86 1pvt h ILE 217 N 1.10 1.25 0.16 2.32 2.04 -0.43 -1.80 117.51 122.16 1pvt h ILE 217 Ca 0.29 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 65.24 1pvt h ILE 217 Cb -0.10 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 1pvt h ILE 217 CO -0.06 0.32 -0.24 0.25 0.00 0.00 0.00 178.15 178.42 1pvt h LEU 218 N 0.54 -0.65 -1.31 1.44 5.85 -0.57 -1.39 115.31 119.21 1pvt h LEU 218 Ca 0.12 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.99 1pvt h LEU 218 Cb 0.41 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1pvt h LEU 218 CO 0.01 -0.33 0.52 -0.07 -0.34 0.00 0.00 178.44 178.23 1pvt h LEU 219 N -0.46 0.71 -0.36 2.25 4.07 -0.97 -0.84 115.31 119.71 1pvt h LEU 219 Ca 0.02 0.01 -0.19 0.00 0.08 0.00 0.00 57.88 57.80 1pvt h LEU 219 Cb 0.46 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.06 1pvt h LEU 219 CO -0.10 0.44 -0.73 -0.09 -1.08 0.00 0.00 178.44 176.88 1pvt h ARG 220 N 0.80 0.48 -0.65 1.13 9.65 -0.96 -1.91 114.38 122.92 1pvt h ARG 220 Ca 0.35 -0.39 -0.03 0.00 -1.10 0.00 0.00 59.98 58.81 1pvt h ARG 220 Cb 0.33 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.96 1pvt h ARG 220 CO -0.13 1.02 0.28 0.28 2.80 0.00 0.00 179.97 184.22 1pvt h VAL 221 N 0.33 1.23 0.00 0.20 2.07 -0.28 -1.41 116.25 118.39 1pvt h VAL 221 Ca -0.03 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 1pvt h VAL 221 Cb 1.32 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1pvt h VAL 221 CO 0.13 0.28 -0.27 -0.07 0.02 0.00 0.00 177.57 177.66 1pvt h LEU 222 N 0.91 0.00 0.00 2.57 3.38 -1.11 -2.17 115.31 118.90 1pvt h LEU 222 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1pvt h LEU 222 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1pvt h LEU 222 CO -0.02 0.27 0.00 -1.20 0.09 0.00 0.00 178.44 177.58 1pvt n SER 223 N -4.00 0.00 0.00 -0.43 7.64 -0.53 -1.06 113.62 115.24 1pvt n SER 223 Ca -0.02 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 59.16 1pvt n SER 223 Cb 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1pvt n SER 223 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1pvt n LEU 224 N -0.79 0.58 -3.19 -3.43 4.77 -0.83 -5.06 117.00 109.07 1pvt n LEU 224 Ca 0.07 -0.58 -0.06 0.00 -0.03 0.00 0.00 56.01 55.41 1pvt n LEU 224 Cb 0.03 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1pvt n LEU 224 CO 0.05 0.15 0.23 0.61 -1.33 0.00 0.00 177.39 177.10 1pvt n GLY 225 N -0.09 -1.23 2.61 -0.72 0.00 -0.22 -5.04 105.19 100.50 1pvt n GLY 225 Ca 0.00 0.50 -0.12 0.00 0.00 0.00 0.00 46.02 46.40 1pvt n GLY 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pvt n ARG 226 N -2.16 0.68 0.00 1.61 1.74 -1.20 -5.04 116.66 112.29 1pvt n ARG 226 Ca -0.05 -2.20 0.00 0.00 -0.77 0.00 0.00 57.85 54.84 1pvt n ARG 226 Cb 0.54 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 1pvt n ARG 226 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1pvt n ASN 227 N 1.91 0.00 -4.53 0.55 5.15 -1.26 -4.84 115.26 112.24 1pvt n ASN 227 Ca 0.15 0.00 -0.17 0.00 -0.60 0.00 0.00 54.58 53.95 1pvt n ASN 227 Cb 0.59 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.69 1pvt n ASN 227 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1pvt n PRO 228 N -0.45 0.28 0.07 1.20 -0.02 -1.26 -4.83 135.00 130.00 1pvt n PRO 228 Ca 0.00 -0.44 -0.08 0.00 -2.02 0.00 0.00 63.50 60.96 1pvt n PRO 228 Cb 0.00 -2.38 -0.05 0.00 -0.02 0.00 0.00 33.50 31.05 1pvt n PRO 228 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1pvt h THR 229 N 7.35 0.41 -0.03 3.45 1.35 -1.99 -3.47 112.91 119.98 1pvt h THR 229 Ca 0.02 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.90 1pvt h THR 229 Cb 1.06 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1pvt h THR 229 CO 1.31 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 177.30