#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1thv s THR 2 N 0.00 4.74 -0.12 0.00 2.01 -1.26 -0.67 115.64 120.34 1thv s THR 2 Ca 0.00 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 61.96 1thv s THR 2 Cb 0.00 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.44 1thv s THR 2 CO 0.00 0.53 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.92 1thv s PHE 3 N -0.21 2.30 -0.29 4.92 0.40 -0.22 -1.50 117.98 123.37 1thv s PHE 3 Ca 0.07 -1.13 -0.12 0.00 -0.60 0.00 0.00 56.93 55.15 1thv s PHE 3 Cb -0.12 -1.61 -0.04 0.00 0.51 0.00 0.00 43.02 41.76 1thv s PHE 3 CO 0.01 -0.54 0.25 -2.00 0.70 0.00 0.00 175.22 173.64 1thv s GLU 4 N 0.92 3.87 -0.24 0.44 2.12 -0.52 0.14 118.70 125.42 1thv s GLU 4 Ca -0.07 -0.29 -0.06 0.00 0.36 0.00 0.00 54.97 54.91 1thv s GLU 4 Cb -0.15 -3.69 -0.02 0.00 0.26 0.00 0.00 34.13 30.52 1thv s GLU 4 CO -0.02 -0.27 0.04 0.42 -0.54 0.00 0.00 175.26 174.89 1thv s ILE 5 N 1.85 4.04 -0.10 -3.70 1.01 0.21 -0.57 121.20 123.93 1thv s ILE 5 Ca 0.09 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.50 1thv s ILE 5 Cb -0.16 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.43 1thv s ILE 5 CO 0.11 0.37 -0.20 -0.69 0.00 0.00 0.00 174.94 174.52 1thv s VAL 6 N 1.55 2.39 -0.50 2.92 1.01 -0.22 -0.35 120.40 127.20 1thv s VAL 6 Ca 0.06 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 61.00 1thv s VAL 6 Cb -0.15 -1.94 0.12 0.00 0.00 0.00 0.00 36.38 34.41 1thv s VAL 6 CO 0.02 0.55 0.43 0.21 0.00 0.00 0.00 175.10 176.30 1thv s ASN 7 N 0.25 6.01 0.00 3.32 2.47 -0.40 -0.25 114.94 126.33 1thv s ASN 7 Ca -0.14 -1.75 0.24 0.00 0.42 0.00 0.00 52.86 51.64 1thv s ASN 7 Cb -0.17 -2.13 0.64 0.00 -1.45 0.00 0.00 41.25 38.14 1thv s ASN 7 CO 0.07 -0.76 1.51 0.54 -3.72 0.00 0.00 177.10 174.74 1thv n ARG 8 N 5.12 2.00 -1.20 0.43 1.74 -0.38 0.19 116.66 124.56 1thv n ARG 8 Ca -0.12 -1.48 -0.31 0.00 -0.77 0.00 0.00 57.85 55.17 1thv n ARG 8 Cb 0.41 -1.46 0.11 0.00 -1.02 0.00 0.00 32.46 30.49 1thv n ARG 8 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1thv h SER 10 N -1.26 0.00 -2.21 0.00 0.02 -1.95 -3.39 113.55 104.76 1thv h SER 10 Ca -0.44 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.04 1thv h SER 10 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1thv h SER 10 CO 0.51 0.20 -0.44 -0.72 -1.14 0.00 0.00 176.83 175.25 1thv s TYR 11 N -3.25 3.44 0.47 3.45 -0.85 -1.26 -4.70 117.35 114.64 1thv s TYR 11 Ca 0.04 -0.02 -0.21 0.00 -0.52 0.00 0.00 57.07 56.36 1thv s TYR 11 Cb 0.07 -1.57 -0.08 0.00 0.38 0.00 0.00 41.96 40.76 1thv s TYR 11 CO 0.68 0.45 1.05 0.99 -1.52 0.00 0.00 175.55 177.19 1thv s THR 12 N -1.98 3.70 0.10 -3.49 2.01 -1.26 -4.27 115.64 110.46 1thv s THR 12 Ca 0.34 1.13 0.04 0.00 0.31 0.00 0.00 61.69 63.50 1thv s THR 12 Cb -0.09 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1thv s THR 12 CO 0.29 -0.17 -0.10 0.68 -0.69 0.00 0.00 174.62 174.63 1thv s VAL 13 N -1.87 0.96 -0.42 3.82 -7.23 -0.68 -4.65 120.40 110.33 1thv s VAL 13 Ca 0.65 -1.73 -0.04 0.00 -1.81 0.00 0.00 61.98 59.05 1thv s VAL 13 Cb -0.19 -1.46 0.11 0.00 0.56 0.00 0.00 36.38 35.40 1thv s VAL 13 CO 0.23 -0.61 0.22 0.26 -0.31 0.00 0.00 175.10 174.89 1thv s TRP 14 N -2.66 3.53 0.52 2.82 0.51 -0.57 0.58 118.94 123.67 1thv s TRP 14 Ca 0.08 -2.24 -0.20 0.00 -2.12 0.00 0.00 56.10 51.62 1thv s TRP 14 Cb -0.01 -3.21 -0.06 0.00 -0.81 0.00 0.00 33.47 29.37 1thv s TRP 14 CO -0.00 -0.96 1.13 0.00 -0.51 0.00 0.00 176.95 176.60 1thv s ALA 15 N 1.20 2.77 0.01 0.98 0.00 -0.31 -1.40 121.76 125.02 1thv s ALA 15 Ca 0.07 0.83 -0.01 0.00 0.00 0.00 0.00 51.96 52.85 1thv s ALA 15 Cb -0.23 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 1thv s ALA 15 CO -0.03 -0.71 -0.01 0.00 0.00 0.00 0.00 175.76 175.02 1thv s ALA 16 N -1.74 0.05 -0.15 0.00 0.00 -0.16 -1.53 121.76 118.22 1thv s ALA 16 Ca 0.70 -0.46 -0.07 0.00 0.00 0.00 0.00 51.96 52.14 1thv s ALA 16 Cb -0.24 0.12 0.06 0.00 0.00 0.00 0.00 23.12 23.06 1thv s ALA 16 CO 0.28 -0.15 0.34 0.00 0.00 0.00 0.00 175.76 176.23 1thv s ALA 17 N -1.27 -0.85 0.18 0.00 0.00 -0.63 -1.30 121.76 117.89 1thv s ALA 17 Ca -0.14 1.27 -0.20 0.00 0.00 0.00 0.00 51.96 52.89 1thv s ALA 17 Cb -0.09 -0.96 0.05 0.00 0.00 0.00 0.00 23.12 22.13 1thv s ALA 17 CO -0.01 -0.43 0.57 0.45 0.00 0.00 0.00 175.76 176.35 1thv s SER 18 N 1.83 -0.40 -0.05 0.00 0.15 -0.95 -1.74 113.70 112.53 1thv s SER 18 Ca -0.06 -0.25 0.12 0.00 0.70 0.00 0.00 55.95 56.47 1thv s SER 18 Cb -0.10 0.60 0.35 0.00 -1.71 0.00 0.00 66.02 65.16 1thv s SER 18 CO -0.11 -1.03 1.29 2.29 1.20 0.00 0.00 173.24 176.88 1thv n LYS 19 N -0.36 2.88 0.00 5.44 2.85 -0.15 -1.35 118.16 127.48 1thv n LYS 19 Ca -0.13 -2.25 0.00 0.00 -1.05 0.00 0.00 58.31 54.88 1thv n LYS 19 Cb 0.63 -1.42 0.00 0.00 -0.65 0.00 0.00 35.03 33.60 1thv n LYS 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1thv n GLY 20 N 0.19 3.06 0.06 2.58 0.00 -1.26 -4.64 105.19 105.18 1thv n GLY 20 Ca 0.14 -0.83 0.03 0.00 0.00 0.00 0.00 46.02 45.36 1thv n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1thv n ASP 21 N 1.37 1.79 -3.52 1.61 5.75 -1.25 -4.42 116.55 117.88 1thv n ASP 21 Ca 0.00 -2.26 -0.10 0.00 -0.01 0.00 0.00 54.79 52.42 1thv n ASP 21 Cb 0.00 -0.15 -0.03 0.00 -1.03 0.00 0.00 41.12 39.90 1thv n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1thv s ALA 22 N -1.46 -1.85 0.66 2.12 0.00 -0.55 -4.93 121.76 115.76 1thv s ALA 22 Ca 0.11 1.19 -0.13 0.00 0.00 0.00 0.00 51.96 53.13 1thv s ALA 22 Cb 0.09 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 1thv s ALA 22 CO 0.01 -0.56 1.06 0.00 0.00 0.00 0.00 175.76 176.27 1thv s ALA 23 N -2.43 2.66 -0.18 0.00 0.00 -1.24 -0.97 121.76 119.59 1thv s ALA 23 Ca 0.02 0.25 -0.06 0.00 0.00 0.00 0.00 51.96 52.18 1thv s ALA 23 Cb -0.01 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1thv s ALA 23 CO -0.05 -1.10 0.02 -0.51 0.00 0.00 0.00 175.76 174.12 1thv s LEU 24 N -5.11 3.52 0.00 0.00 1.43 -0.71 -4.73 118.68 113.08 1thv s LEU 24 Ca 0.61 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1thv s LEU 24 Cb -0.15 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1thv s LEU 24 CO 0.47 0.15 0.00 -0.67 0.23 0.00 0.00 176.35 176.53 1thv n ASP 25 N 3.70 0.00 0.00 2.29 -0.08 -1.26 -1.02 116.55 120.17 1thv n ASP 25 Ca -0.17 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.19 1thv n ASP 25 Cb 0.52 0.00 0.35 0.00 2.34 0.00 0.00 41.12 44.33 1thv n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1thv n ALA 26 N 8.47 1.75 0.00 -1.67 0.00 -1.26 -4.91 120.51 122.89 1thv n ALA 26 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1thv n ALA 26 Cb 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1thv n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1thv n GLY 27 N 0.13 2.72 3.56 0.00 0.00 -0.19 -4.54 105.19 106.87 1thv n GLY 27 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 1thv n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1thv s GLY 28 N -0.75 -0.35 -0.25 -0.02 0.00 -1.26 -1.60 107.32 103.09 1thv s GLY 28 Ca 0.00 1.42 -0.27 0.00 0.00 0.00 0.00 44.72 45.88 1thv s GLY 28 CO 0.00 0.51 1.12 -1.60 0.00 0.00 0.00 173.10 173.13 1thv s ARG 29 N -2.57 0.41 0.26 2.90 3.52 -0.58 -4.73 118.95 118.16 1thv s ARG 29 Ca 0.07 0.34 -0.30 0.00 -0.13 0.00 0.00 55.73 55.71 1thv s ARG 29 Cb -0.01 0.20 -0.09 0.00 -1.56 0.00 0.00 34.95 33.49 1thv s ARG 29 CO -0.06 -0.08 1.14 -1.14 -0.81 0.00 0.00 175.30 174.35 1thv s GLN 30 N -0.26 4.58 -0.27 5.12 0.74 -1.26 -1.16 119.66 127.15 1thv s GLN 30 Ca 0.03 1.86 -0.01 0.00 0.05 0.00 0.00 55.36 57.28 1thv s GLN 30 Cb -0.03 -3.19 0.08 0.00 1.10 0.00 0.00 33.01 30.96 1thv s GLN 30 CO -0.06 0.10 0.06 -0.51 -0.55 0.00 0.00 175.29 174.33 1thv s LEU 31 N -1.14 1.94 0.84 3.68 1.02 0.20 -4.93 118.68 120.29 1thv s LEU 31 Ca 0.47 -1.35 -0.11 0.00 0.02 0.00 0.00 54.13 53.16 1thv s LEU 31 Cb -0.33 -0.81 0.10 0.00 0.02 0.00 0.00 46.19 45.17 1thv s LEU 31 CO 0.41 -0.37 1.10 0.20 0.02 0.00 0.00 176.35 177.71 1thv s ASN 32 N 1.67 4.02 0.12 2.29 0.02 -1.26 -1.68 114.94 120.12 1thv s ASN 32 Ca 0.05 1.39 -0.35 0.00 -1.02 0.00 0.00 52.86 52.93 1thv s ASN 32 Cb -0.17 -2.10 -0.15 0.00 0.02 0.00 0.00 41.25 38.85 1thv s ASN 32 CO -0.18 -2.28 1.50 -0.24 0.02 0.00 0.00 177.10 175.91 1thv n SER 33 N -3.64 2.54 0.00 -1.22 2.88 -1.26 -1.01 113.62 111.91 1thv n SER 33 Ca 0.07 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1thv n SER 33 Cb 0.56 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 1thv n SER 33 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1thv n GLY 34 N 3.12 3.26 3.86 0.46 0.00 0.13 -5.04 105.19 110.97 1thv n GLY 34 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1thv n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1thv s GLU 35 N -0.56 3.73 0.12 1.61 2.02 -0.18 -4.75 118.70 120.68 1thv s GLU 35 Ca 0.00 0.78 0.04 0.00 0.02 0.00 0.00 54.97 55.81 1thv s GLU 35 Cb 0.00 -2.13 -0.04 0.00 0.10 0.00 0.00 34.13 32.06 1thv s GLU 35 CO 0.00 -0.42 -0.09 -1.54 0.02 0.00 0.00 175.26 173.22 1thv s SER 36 N -3.74 1.57 -0.05 -0.19 1.04 -1.26 -1.28 113.70 109.79 1thv s SER 36 Ca 0.56 -0.96 -0.02 0.00 0.48 0.00 0.00 55.95 56.00 1thv s SER 36 Cb -0.11 0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.07 1thv s SER 36 CO 0.45 -0.34 0.08 0.86 0.98 0.00 0.00 173.24 175.26 1thv s TRP 37 N -3.19 0.00 -0.26 5.02 -0.00 0.53 -4.96 118.94 116.09 1thv s TRP 37 Ca 0.13 0.31 -0.09 0.00 -0.00 0.00 0.00 56.10 56.45 1thv s TRP 37 Cb 0.02 -0.38 -0.04 0.00 -0.00 0.00 0.00 33.47 33.07 1thv s TRP 37 CO -0.01 -0.19 0.13 0.99 -0.00 0.00 0.00 176.95 177.88 1thv s THR 38 N 1.96 4.90 0.24 5.86 2.01 -1.26 0.68 115.64 130.01 1thv s THR 38 Ca 0.02 0.03 0.11 0.00 0.31 0.00 0.00 61.69 62.15 1thv s THR 38 Cb -0.12 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 1thv s THR 38 CO -0.04 0.31 -0.17 0.27 -0.69 0.00 0.00 174.62 174.31 1thv s ILE 39 N 1.51 2.69 -0.23 1.82 -4.36 0.12 -4.97 121.20 117.78 1thv s ILE 39 Ca 0.06 -2.11 -0.07 0.00 -0.26 0.00 0.00 60.65 58.27 1thv s ILE 39 Cb -0.15 -2.37 -0.03 0.00 1.25 0.00 0.00 42.46 41.16 1thv s ILE 39 CO 0.07 -0.27 0.07 0.21 0.24 0.00 0.00 174.94 175.26 1thv s ASN 40 N -3.18 5.27 -0.16 4.36 2.47 -1.26 -1.06 114.94 121.38 1thv s ASN 40 Ca 0.27 -0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.42 1thv s ASN 40 Cb -0.07 -1.94 -0.00 0.00 -1.45 0.00 0.00 41.25 37.80 1thv s ASN 40 CO 0.14 0.02 -0.15 -0.69 -3.72 0.00 0.00 177.10 172.70 1thv s VAL 41 N 1.30 2.72 0.39 -5.21 1.01 0.16 -4.22 120.40 116.54 1thv s VAL 41 Ca 0.05 -0.75 -0.27 0.00 0.00 0.00 0.00 61.98 61.00 1thv s VAL 41 Cb -0.15 -2.15 -0.11 0.00 0.00 0.00 0.00 36.38 33.98 1thv s VAL 41 CO 0.04 0.51 1.46 1.21 0.00 0.00 0.00 175.10 178.32 1thv n GLU 42 N 4.05 2.54 -1.84 2.72 2.13 -1.26 0.18 120.64 129.17 1thv n GLU 42 Ca -0.19 0.89 -0.38 0.00 0.66 0.00 0.00 57.16 58.15 1thv n GLU 42 Cb 0.52 -2.63 0.04 0.00 0.27 0.00 0.00 31.44 29.64 1thv n GLU 42 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1thv s PRO 43 N -2.16 3.00 0.00 5.31 0.02 -1.26 -1.71 135.00 138.20 1thv s PRO 43 Ca 0.55 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.67 1thv s PRO 43 Cb -0.48 -2.11 0.00 0.00 0.02 0.00 0.00 34.50 31.93 1thv s PRO 43 CO 0.62 -1.26 0.00 0.41 -0.33 0.00 0.00 177.00 176.44 1thv n GLY 44 N 0.73 1.67 3.68 0.52 0.00 -1.18 -4.97 105.19 105.63 1thv n GLY 44 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1thv n GLY 44 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1thv n THR 45 N -2.00 0.47 -4.61 2.61 -1.04 -0.69 -4.68 114.28 104.33 1thv n THR 45 Ca 0.00 -0.08 -0.33 0.00 -2.04 0.00 0.00 64.05 61.59 1thv n THR 45 Cb 0.00 -2.18 -0.13 0.00 -1.82 0.00 0.00 70.33 66.19 1thv n THR 45 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1thv s ASN 46 N 3.17 4.33 0.00 8.00 3.84 -1.26 -0.00 114.94 133.02 1thv s ASN 46 Ca 0.84 -0.25 0.00 0.00 0.21 0.00 0.00 52.86 53.66 1thv s ASN 46 Cb -0.47 -1.68 0.00 0.00 -0.55 0.00 0.00 41.25 38.55 1thv s ASN 46 CO 0.38 0.16 0.00 0.61 -2.79 0.00 0.00 177.10 175.47 1thv n GLY 47 N 3.55 0.40 3.82 1.21 0.00 -1.06 -4.98 105.19 108.13 1thv n GLY 47 Ca -0.18 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.58 1thv n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1thv s GLY 48 N -2.98 2.29 0.01 -0.02 0.00 -0.36 -4.61 107.32 101.65 1thv s GLY 48 Ca 0.00 0.37 -0.02 0.00 0.00 0.00 0.00 44.72 45.06 1thv s GLY 48 CO 0.00 0.65 0.03 0.54 0.00 0.00 0.00 173.10 174.33 1thv s LYS 49 N -3.51 0.29 -0.03 2.90 1.02 -0.46 -0.95 119.74 119.00 1thv s LYS 49 Ca 0.62 -0.38 0.05 0.00 0.02 0.00 0.00 55.97 56.28 1thv s LYS 49 Cb -0.11 0.11 -0.01 0.00 -0.52 0.00 0.00 37.83 37.31 1thv s LYS 49 CO 0.21 -0.05 -0.17 0.42 -0.92 0.00 0.00 175.35 174.84 1thv s ILE 50 N -1.04 1.39 0.25 2.17 1.01 -0.43 -2.23 121.20 122.31 1thv s ILE 50 Ca -0.11 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 1thv s ILE 50 Cb -0.07 -1.18 -0.01 0.00 0.01 0.00 0.00 42.46 41.21 1thv s ILE 50 CO -0.00 0.40 0.41 -1.66 0.00 0.00 0.00 174.94 174.09 1thv s TRP 51 N -0.10 0.59 0.15 3.97 -2.14 -0.42 -1.75 118.94 119.24 1thv s TRP 51 Ca -0.00 -0.91 0.06 0.00 2.66 0.00 0.00 56.10 57.90 1thv s TRP 51 Cb -0.10 0.02 -0.04 0.00 -3.10 0.00 0.00 33.47 30.25 1thv s TRP 51 CO 0.01 -0.94 0.05 0.00 -2.66 0.00 0.00 176.95 173.41 1thv s ALA 52 N -3.94 3.37 0.02 2.67 0.00 -1.26 -0.99 121.76 121.62 1thv s ALA 52 Ca 0.27 -1.25 0.08 0.00 0.00 0.00 0.00 51.96 51.05 1thv s ALA 52 Cb 0.01 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 1thv s ALA 52 CO 0.11 0.54 -0.23 1.03 0.00 0.00 0.00 175.76 177.20 1thv s ARG 53 N -2.87 1.71 0.24 0.00 0.52 -0.49 -4.63 118.95 113.43 1thv s ARG 53 Ca 0.28 -0.93 0.11 0.00 -0.52 0.00 0.00 55.73 54.67 1thv s ARG 53 Cb -0.10 -1.76 -0.05 0.00 0.52 0.00 0.00 34.95 33.56 1thv s ARG 53 CO 0.20 0.47 -0.17 0.95 0.02 0.00 0.00 175.30 176.77 1thv s THR 54 N -0.68 2.67 -1.18 0.02 -4.23 -1.09 -1.51 115.64 109.63 1thv s THR 54 Ca 0.09 -2.16 -0.12 0.00 -1.18 0.00 0.00 61.69 58.33 1thv s THR 54 Cb -0.09 -2.36 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 1thv s THR 54 CO 0.01 -0.29 0.76 0.47 -0.54 0.00 0.00 174.62 175.03 1thv n ASP 55 N -0.35 -4.15 -4.83 3.99 8.00 -1.26 -1.42 116.55 116.53 1thv n ASP 55 Ca -0.08 -0.92 -0.22 0.00 0.71 0.00 0.00 54.79 54.29 1thv n ASP 55 Cb 0.58 -3.81 -0.04 0.00 -0.02 0.00 0.00 41.12 37.83 1thv n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1thv s TYR 57 N -2.26 -0.43 0.08 0.00 -0.85 -0.06 -4.97 117.35 108.85 1thv s TYR 57 Ca 0.38 1.02 0.02 0.00 -0.52 0.00 0.00 57.07 57.96 1thv s TYR 57 Cb -0.06 0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.39 1thv s TYR 57 CO 0.26 -0.22 -0.07 -0.06 -1.52 0.00 0.00 175.55 173.94 1thv s PHE 58 N 0.44 0.78 0.07 -3.49 0.08 -1.26 -0.68 117.98 113.92 1thv s PHE 58 Ca -0.02 -0.79 -0.00 0.00 0.12 0.00 0.00 56.93 56.24 1thv s PHE 58 Cb -0.04 -0.46 0.01 0.00 -0.57 0.00 0.00 43.02 41.96 1thv s PHE 58 CO -0.02 -0.15 0.09 -0.40 -0.10 0.00 0.00 175.22 174.64 1thv n ASP 59 N 0.46 0.12 0.25 1.36 5.68 0.44 -4.90 116.55 119.96 1thv n ASP 59 Ca -0.16 -1.10 0.13 0.00 -0.50 0.00 0.00 54.79 53.16 1thv n ASP 59 Cb 0.59 -0.06 0.62 0.00 -1.14 0.00 0.00 41.12 41.13 1thv n ASP 59 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1thv h ASP 60 N -0.06 0.00 1.61 -1.12 3.32 -2.02 -1.80 116.42 116.34 1thv h ASP 60 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1thv h ASP 60 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1thv h ASP 60 CO 0.03 0.13 0.00 -1.28 -1.72 0.00 0.00 179.24 176.41 1thv h SER 61 N 0.00 0.00 0.00 6.45 0.87 -2.05 -3.47 113.55 115.35 1thv h SER 61 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1thv h SER 61 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1thv h SER 61 CO 0.02 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.93 1thv n GLY 62 N 1.04 0.81 3.52 5.77 0.00 -0.68 -5.01 105.19 110.63 1thv n GLY 62 Ca 0.04 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 1thv n GLY 62 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1thv s SER 63 N -2.56 4.45 0.00 1.61 0.15 -1.26 -1.39 113.70 114.70 1thv s SER 63 Ca 0.00 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1thv s SER 63 Cb 0.00 -1.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.04 1thv s SER 63 CO 0.00 0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.35 1thv n GLY 64 N 2.64 -0.91 3.56 9.45 0.00 -0.17 -0.42 105.19 119.35 1thv n GLY 64 Ca -0.18 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 1thv n GLY 64 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1thv s ILE 65 N -4.00 0.00 0.10 -0.61 1.10 0.15 -4.38 121.20 113.56 1thv s ILE 65 Ca 0.00 0.00 0.08 0.00 -0.51 0.00 0.00 60.65 60.22 1thv s ILE 65 Cb 0.00 -1.00 -0.03 0.00 0.15 0.00 0.00 42.46 41.58 1thv s ILE 65 CO 0.00 0.00 -0.21 0.00 -2.11 0.00 0.00 174.94 172.62 1thv h LYS 67 N 4.17 0.30 -4.83 0.00 1.57 -0.83 -3.38 116.57 113.57 1thv h LYS 67 Ca -0.46 -0.23 -0.38 0.00 -1.87 0.00 0.00 60.65 57.71 1thv h LYS 67 Cb 1.18 0.04 -0.26 0.00 0.08 0.00 0.00 32.23 33.27 1thv h LYS 67 CO 0.40 0.87 -0.77 0.95 -0.57 0.00 0.00 179.45 180.33 1thv s THR 68 N -3.65 0.77 -1.26 -0.16 -4.23 -1.17 -4.73 115.64 101.21 1thv s THR 68 Ca -0.05 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 1thv s THR 68 Cb 0.11 -0.69 0.00 0.00 1.34 0.00 0.00 72.50 73.26 1thv s THR 68 CO 0.82 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.54 1thv n GLY 69 N 2.34 0.74 3.75 3.99 0.00 -0.62 -2.68 105.19 112.71 1thv n GLY 69 Ca -0.16 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1thv n GLY 69 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1thv n ASP 70 N -0.24 3.73 -4.08 1.61 2.03 -1.26 -3.87 116.55 114.47 1thv n ASP 70 Ca -0.14 1.17 -0.35 0.00 0.52 0.00 0.00 54.79 55.99 1thv n ASP 70 Cb 0.50 -1.59 -0.07 0.00 -0.72 0.00 0.00 41.12 39.25 1thv n ASP 70 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1thv n GLY 72 N 2.25 -0.51 2.11 0.00 0.00 -1.26 -2.41 105.19 105.36 1thv n GLY 72 Ca 0.22 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.26 1thv n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1thv n GLY 73 N -1.11 0.48 3.65 -0.02 0.00 -1.26 -4.98 105.19 101.95 1thv n GLY 73 Ca -0.20 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 1thv n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1thv s LEU 74 N -0.16 3.29 -0.06 0.99 1.43 -1.01 -1.00 118.68 122.16 1thv s LEU 74 Ca 0.00 -0.37 -0.24 0.00 -1.03 0.00 0.00 54.13 52.49 1thv s LEU 74 Cb 0.00 -1.97 -0.25 0.00 0.03 0.00 0.00 46.19 44.00 1thv s LEU 74 CO 0.00 0.11 0.98 0.25 0.23 0.00 0.00 176.35 177.93 1thv h LEU 75 N 2.93 0.24 -8.09 1.79 5.85 -1.56 -3.40 115.31 113.08 1thv h LEU 75 Ca -0.47 -0.83 -0.66 0.00 0.84 0.00 0.00 57.88 56.76 1thv h LEU 75 Cb 1.19 -0.08 -0.16 0.00 0.37 0.00 0.00 40.66 41.99 1thv h LEU 75 CO 0.57 1.04 0.80 -0.13 -0.34 0.00 0.00 178.44 180.39 1thv s ARG 76 N -2.93 3.43 0.23 1.25 3.00 -1.26 -4.10 118.95 118.57 1thv s ARG 76 Ca -0.16 -1.37 -0.31 0.00 0.00 0.00 0.00 55.73 53.90 1thv s ARG 76 Cb 0.01 -4.72 -0.11 0.00 0.00 0.00 0.00 34.95 30.12 1thv s ARG 76 CO 0.75 -1.84 1.56 0.00 0.00 0.00 0.00 175.30 175.78 1thv n LYS 78 N 2.95 1.57 -4.62 0.00 0.00 -1.26 -3.80 118.16 113.01 1thv n LYS 78 Ca 0.10 0.01 -0.31 0.00 0.00 0.00 0.00 58.31 58.12 1thv n LYS 78 Cb 0.38 -1.34 -0.08 0.00 0.00 0.00 0.00 35.03 33.99 1thv n LYS 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1thv s ARG 79 N -2.32 2.13 0.65 1.64 3.52 -1.26 -1.48 118.95 121.83 1thv s ARG 79 Ca -0.10 -2.25 -0.12 0.00 -0.13 0.00 0.00 55.73 53.13 1thv s ARG 79 Cb 0.04 -1.63 -0.01 0.00 -1.56 0.00 0.00 34.95 31.79 1thv s ARG 79 CO 0.51 -0.27 1.05 -0.06 -0.81 0.00 0.00 175.30 175.72 1thv s PHE 80 N -2.80 3.19 0.45 5.12 0.08 -1.26 -4.84 117.98 117.91 1thv s PHE 80 Ca 0.19 1.42 0.04 0.00 0.12 0.00 0.00 56.93 58.70 1thv s PHE 80 Cb 0.04 -2.87 0.01 0.00 -0.57 0.00 0.00 43.02 39.63 1thv s PHE 80 CO 0.10 -1.08 0.63 0.20 -0.10 0.00 0.00 175.22 174.97 1thv s GLY 81 N -3.62 1.75 0.30 4.36 0.00 -1.26 -4.58 107.32 104.27 1thv s GLY 81 Ca 0.59 -1.39 -0.28 0.00 0.00 0.00 0.00 44.72 43.64 1thv s GLY 81 CO 0.50 -1.20 1.08 0.50 0.00 0.00 0.00 173.10 173.98 1thv s ARG 82 N -4.48 4.57 0.82 2.90 0.52 0.30 -4.85 118.95 118.73 1thv s ARG 82 Ca 0.52 1.73 -0.11 0.00 -0.52 0.00 0.00 55.73 57.34 1thv s ARG 82 Cb -0.10 -3.07 0.09 0.00 0.52 0.00 0.00 34.95 32.39 1thv s ARG 82 CO 0.35 0.17 1.14 -2.14 0.02 0.00 0.00 175.30 174.84 1thv s PRO 83 N -1.62 1.71 0.10 3.54 0.02 -1.26 -1.59 135.00 135.90 1thv s PRO 83 Ca 0.47 1.45 -0.22 0.00 0.02 0.00 0.00 61.00 62.72 1thv s PRO 83 Cb -0.30 -1.81 -0.07 0.00 0.02 0.00 0.00 34.50 32.34 1thv s PRO 83 CO 0.38 -2.10 0.66 -1.25 -0.33 0.00 0.00 177.00 174.36 1thv s PRO 84 N -4.58 4.36 -0.17 5.54 0.04 -1.26 -4.56 135.00 134.38 1thv s PRO 84 Ca 0.66 0.91 -0.07 0.00 0.04 0.00 0.00 61.00 62.54 1thv s PRO 84 Cb -0.22 -3.27 0.07 0.00 0.04 0.00 0.00 34.50 31.13 1thv s PRO 84 CO 0.54 0.56 0.37 0.95 0.04 0.00 0.00 177.00 179.46 1thv s THR 85 N -0.96 -0.32 0.11 1.26 -4.23 -0.34 -4.07 115.64 107.09 1thv s THR 85 Ca 0.32 0.16 -0.31 0.00 -1.18 0.00 0.00 61.69 60.68 1thv s THR 85 Cb -0.21 -0.57 -0.08 0.00 1.34 0.00 0.00 72.50 72.98 1thv s THR 85 CO 0.22 0.07 1.37 -0.89 -0.54 0.00 0.00 174.62 174.85 1thv s THR 86 N 2.01 3.38 -0.06 3.99 2.01 -1.22 -4.32 115.64 121.44 1thv s THR 86 Ca -0.05 0.99 0.05 0.00 0.31 0.00 0.00 61.69 62.99 1thv s THR 86 Cb -0.11 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 1thv s THR 86 CO -0.11 0.07 -0.19 -0.76 -0.69 0.00 0.00 174.62 172.94 1thv s LEU 87 N 1.13 2.42 -0.26 4.42 1.43 -0.73 -4.50 118.68 122.59 1thv s LEU 87 Ca 0.64 -0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 53.28 1thv s LEU 87 Cb -0.36 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 1thv s LEU 87 CO 0.30 0.29 0.20 0.00 0.23 0.00 0.00 176.35 177.37 1thv s ALA 88 N -0.41 3.57 0.03 4.21 0.00 -0.72 -1.11 121.76 127.33 1thv s ALA 88 Ca 0.04 -0.97 0.09 0.00 0.00 0.00 0.00 51.96 51.13 1thv s ALA 88 Cb -0.12 -2.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.53 1thv s ALA 88 CO 0.02 -0.41 -0.26 -1.21 0.00 0.00 0.00 175.76 173.90 1thv s GLU 89 N 1.49 1.84 -0.04 0.00 2.02 0.27 -1.32 118.70 122.95 1thv s GLU 89 Ca 0.08 -1.07 -0.21 0.00 0.02 0.00 0.00 54.97 53.79 1thv s GLU 89 Cb -0.15 -1.97 0.04 0.00 0.10 0.00 0.00 34.13 32.16 1thv s GLU 89 CO 0.08 0.52 0.47 -0.59 0.02 0.00 0.00 175.26 175.76 1thv s PHE 90 N -0.77 -0.40 -0.09 1.61 -0.71 -0.12 -1.66 117.98 115.84 1thv s PHE 90 Ca 0.11 0.71 0.01 0.00 -1.04 0.00 0.00 56.93 56.72 1thv s PHE 90 Cb -0.10 0.23 0.02 0.00 -1.21 0.00 0.00 43.02 41.96 1thv s PHE 90 CO 0.01 -0.47 -0.11 -1.12 -1.34 0.00 0.00 175.22 172.20 1thv s SER 91 N -1.13 2.03 0.12 1.98 0.01 -0.41 -1.22 113.70 115.08 1thv s SER 91 Ca -0.11 -0.33 0.07 0.00 1.31 0.00 0.00 55.95 56.89 1thv s SER 91 Cb -0.03 -0.88 -0.04 0.00 0.21 0.00 0.00 66.02 65.28 1thv s SER 91 CO 0.06 -0.02 -0.06 -0.76 0.41 0.00 0.00 173.24 172.87 1thv s LEU 92 N 1.07 3.19 -1.33 2.44 1.43 1.00 -1.38 118.68 125.10 1thv s LEU 92 Ca -0.06 -0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1thv s LEU 92 Cb -0.15 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.15 1thv s LEU 92 CO -0.01 0.16 0.72 0.59 0.23 0.00 0.00 176.35 178.03 1thv n ASN 93 N 0.48 -1.46 -4.32 2.29 3.02 -1.08 -3.12 115.26 111.07 1thv n ASN 93 Ca -0.12 -0.82 -0.44 0.00 -0.03 0.00 0.00 54.58 53.18 1thv n ASN 93 Cb 0.53 -4.04 -0.07 0.00 -0.61 0.00 0.00 39.78 35.58 1thv n ASN 93 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1thv s GLN 94 N -6.04 2.85 -1.48 3.52 -1.52 0.55 -4.47 119.66 113.08 1thv s GLN 94 Ca 0.06 -1.54 -0.11 0.00 -1.95 0.00 0.00 55.36 51.82 1thv s GLN 94 Cb -0.03 -4.10 0.07 0.00 -0.22 0.00 0.00 33.01 28.73 1thv s GLN 94 CO 0.81 -1.13 0.84 0.66 -0.25 0.00 0.00 175.29 176.23 1thv n TYR 95 N 5.13 -2.20 -0.57 0.91 4.01 -1.26 -1.93 117.16 121.25 1thv n TYR 95 Ca -0.12 0.77 0.00 0.00 -0.16 0.00 0.00 57.90 58.39 1thv n TYR 95 Cb 0.42 -3.92 0.00 0.00 -0.31 0.00 0.00 39.34 35.53 1thv n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1thv n GLY 96 N -1.59 0.78 3.26 2.72 0.00 -1.26 -5.04 105.19 104.06 1thv n GLY 96 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1thv n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1thv s LYS 97 N -0.43 1.08 -0.06 1.61 -0.14 -0.82 -1.63 119.74 119.36 1thv s LYS 97 Ca 0.00 -1.42 -0.02 0.00 -1.36 0.00 0.00 55.97 53.17 1thv s LYS 97 Cb 0.00 -0.73 -0.04 0.00 -1.68 0.00 0.00 37.83 35.38 1thv s LYS 97 CO 0.00 0.11 0.03 -0.51 -0.76 0.00 0.00 175.35 174.22 1thv s ASP 98 N -3.05 5.42 -0.15 2.83 1.01 0.73 -0.33 116.67 123.13 1thv s ASP 98 Ca 0.16 0.16 0.01 0.00 0.71 0.00 0.00 52.55 53.59 1thv s ASP 98 Cb 0.01 -1.55 0.02 0.00 1.01 0.00 0.00 42.92 42.41 1thv s ASP 98 CO 0.02 0.35 -0.18 -0.31 0.21 0.00 0.00 175.17 175.26 1thv s TYR 99 N -0.98 2.42 0.14 4.23 1.51 -0.48 0.47 117.35 124.66 1thv s TYR 99 Ca 0.16 -1.32 0.06 0.00 -1.01 0.00 0.00 57.07 54.96 1thv s TYR 99 Cb -0.12 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 39.99 1thv s TYR 99 CO 0.06 -0.66 -0.13 0.96 -1.11 0.00 0.00 175.55 174.66 1thv s ILE 100 N 1.18 1.37 0.04 2.71 -4.36 -0.38 -1.29 121.20 120.47 1thv s ILE 100 Ca 0.00 -1.86 -0.28 0.00 -0.26 0.00 0.00 60.65 58.26 1thv s ILE 100 Cb -0.14 -1.67 0.09 0.00 1.25 0.00 0.00 42.46 41.99 1thv s ILE 100 CO -0.08 -0.50 0.94 1.51 0.24 0.00 0.00 174.94 177.05 1thv s ASP 101 N -2.71 -0.29 -0.08 4.36 1.47 -0.66 -0.13 116.67 118.63 1thv s ASP 101 Ca 0.12 -0.13 0.02 0.00 1.18 0.00 0.00 52.55 53.74 1thv s ASP 101 Cb -0.03 0.40 -0.02 0.00 -0.34 0.00 0.00 42.92 42.93 1thv s ASP 101 CO 0.03 -0.68 -0.12 -0.63 0.68 0.00 0.00 175.17 174.45 1thv s ILE 102 N -3.12 3.24 0.00 2.11 1.01 -1.26 -0.57 121.20 122.62 1thv s ILE 102 Ca 0.08 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 60.14 1thv s ILE 102 Cb -0.01 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 1thv s ILE 102 CO -0.05 0.57 -0.18 -0.55 0.00 0.00 0.00 174.94 174.73 1thv s SER 103 N -0.48 2.11 -0.12 3.58 0.15 -0.27 -2.05 113.70 116.63 1thv s SER 103 Ca 0.06 -0.37 0.14 0.00 0.70 0.00 0.00 55.95 56.49 1thv s SER 103 Cb -0.12 -0.22 0.42 0.00 -1.71 0.00 0.00 66.02 64.39 1thv s SER 103 CO 0.02 0.19 1.33 0.59 1.20 0.00 0.00 173.24 176.57 1thv n ASN 104 N 2.44 3.37 0.23 5.45 5.03 0.15 -1.77 115.26 130.16 1thv n ASN 104 Ca -0.15 -2.71 0.06 0.00 0.87 0.00 0.00 54.58 52.65 1thv n ASN 104 Cb 0.54 -0.42 0.54 0.00 -1.02 0.00 0.00 39.78 39.42 1thv n ASN 104 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1thv h ILE 105 N 1.56 1.07 -0.63 2.41 2.04 -1.81 -1.24 117.51 120.91 1thv h ILE 105 Ca 0.00 -0.55 -0.27 0.00 1.00 0.00 0.00 64.86 65.04 1thv h ILE 105 Cb 1.16 1.30 -0.16 0.00 -0.74 0.00 0.00 36.82 38.38 1thv h ILE 105 CO 0.13 0.15 0.23 0.29 0.00 0.00 0.00 178.15 178.96 1thv n LYS 106 N -4.28 2.50 0.00 2.37 4.76 -1.26 -4.75 118.16 117.49 1thv n LYS 106 Ca -0.02 -3.07 0.00 0.00 -2.87 0.00 0.00 58.31 52.34 1thv n LYS 106 Cb 0.23 -2.02 0.00 0.00 -1.84 0.00 0.00 35.03 31.40 1thv n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1thv n GLY 107 N -0.85 -2.30 2.91 0.72 0.00 -0.47 -1.20 105.19 104.01 1thv n GLY 107 Ca 0.42 -1.73 -0.14 0.00 0.00 0.00 0.00 46.02 44.58 1thv n GLY 107 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1thv s PHE 108 N -0.29 0.22 0.00 1.61 2.19 -0.40 -3.39 117.98 117.92 1thv s PHE 108 Ca 0.00 -0.06 0.00 0.00 0.33 0.00 0.00 56.93 57.20 1thv s PHE 108 Cb 0.00 -0.14 0.00 0.00 -1.31 0.00 0.00 43.02 41.57 1thv s PHE 108 CO 0.00 -0.01 0.00 0.27 1.83 0.00 0.00 175.22 177.31 1thv n ASN 109 N 2.96 1.33 -4.09 6.13 2.04 -1.26 -1.34 115.26 121.03 1thv n ASN 109 Ca -0.13 0.00 -0.19 0.00 -0.44 0.00 0.00 54.58 53.82 1thv n ASN 109 Cb 0.59 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.70 1thv n ASN 109 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1thv s VAL 110 N -1.78 0.93 0.53 3.53 1.01 -1.26 -4.80 120.40 118.56 1thv s VAL 110 Ca 0.00 -0.75 -0.20 0.00 0.00 0.00 0.00 61.98 61.02 1thv s VAL 110 Cb 0.00 -0.83 -0.06 0.00 0.00 0.00 0.00 36.38 35.50 1thv s VAL 110 CO 0.00 0.07 1.16 -2.16 0.00 0.00 0.00 175.10 174.17 1thv s PRO 111 N -0.77 3.39 -0.07 2.72 0.04 -1.26 -4.67 135.00 134.38 1thv s PRO 111 Ca 0.02 1.71 -0.15 0.00 0.04 0.00 0.00 61.00 62.62 1thv s PRO 111 Cb -0.06 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.40 1thv s PRO 111 CO 0.00 -0.84 0.36 1.41 0.04 0.00 0.00 177.00 177.97 1thv s MET 112 N -3.12 0.60 -0.09 4.56 1.75 -0.56 -0.75 119.30 121.69 1thv s MET 112 Ca 0.71 0.13 0.04 0.00 -1.25 0.00 0.00 55.69 55.32 1thv s MET 112 Cb -0.27 0.28 -0.01 0.00 2.84 0.00 0.00 34.83 37.67 1thv s MET 112 CO 0.31 -0.14 -0.23 0.34 -0.65 0.00 0.00 175.02 174.65 1thv s ASP 113 N -0.70 3.23 -0.29 1.11 -1.08 0.18 -0.76 116.67 118.36 1thv s ASP 113 Ca -0.08 -0.50 0.02 0.00 -0.52 0.00 0.00 52.55 51.47 1thv s ASP 113 Cb -0.04 -1.21 0.08 0.00 -1.46 0.00 0.00 42.92 40.29 1thv s ASP 113 CO 0.03 0.20 0.00 0.12 0.52 0.00 0.00 175.17 176.04 1thv s PHE 114 N 0.12 2.92 0.09 -5.34 5.36 0.29 -0.54 117.98 120.88 1thv s PHE 114 Ca -0.11 -2.31 0.04 0.00 -0.96 0.00 0.00 56.93 53.59 1thv s PHE 114 Cb -0.16 -2.16 -0.03 0.00 -0.34 0.00 0.00 43.02 40.32 1thv s PHE 114 CO 0.06 -0.87 -0.12 -1.12 -1.46 0.00 0.00 175.22 171.71 1thv s SER 115 N 1.20 1.56 0.52 6.13 0.01 -0.73 -0.52 113.70 121.88 1thv s SER 115 Ca 0.03 -0.71 -0.19 0.00 1.31 0.00 0.00 55.95 56.38 1thv s SER 115 Cb -0.19 -0.02 -0.07 0.00 0.21 0.00 0.00 66.02 65.95 1thv s SER 115 CO -0.10 -0.17 1.06 -2.16 0.41 0.00 0.00 173.24 172.28 1thv s PRO 116 N -2.26 3.62 0.00 12.44 0.04 -1.26 -0.32 135.00 147.27 1thv s PRO 116 Ca 0.02 1.40 0.10 0.00 0.04 0.00 0.00 61.00 62.56 1thv s PRO 116 Cb -0.07 -2.06 0.14 0.00 0.04 0.00 0.00 34.50 32.55 1thv s PRO 116 CO 0.01 -0.59 0.95 0.25 0.04 0.00 0.00 177.00 177.67 1thv n THR 117 N -1.20 0.31 -4.18 1.26 -2.24 0.87 -4.76 114.28 104.34 1thv n THR 117 Ca 0.10 -0.65 -0.28 0.00 -2.27 0.00 0.00 64.05 60.95 1thv n THR 117 Cb 0.52 0.99 -0.04 0.00 -2.10 0.00 0.00 70.33 69.70 1thv n THR 117 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1thv s THR 118 N -0.90 1.67 0.54 4.28 -4.23 -1.23 -4.93 115.64 110.83 1thv s THR 118 Ca 0.15 -1.68 -0.06 0.00 -1.18 0.00 0.00 61.69 58.92 1thv s THR 118 Cb 0.09 -2.35 -0.01 0.00 1.34 0.00 0.00 72.50 71.57 1thv s THR 118 CO 0.13 0.00 0.85 -0.13 -0.54 0.00 0.00 174.62 174.93 1thv s ARG 119 N -4.08 3.22 0.00 3.99 0.52 -1.26 -4.70 118.95 116.64 1thv s ARG 119 Ca 0.28 0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.58 1thv s ARG 119 Cb 0.00 -2.32 0.00 0.00 0.52 0.00 0.00 34.95 33.15 1thv s ARG 119 CO 0.16 -0.46 0.00 0.41 0.02 0.00 0.00 175.30 175.43 1thv n GLY 120 N -2.43 0.62 3.75 -3.53 0.00 -1.26 -4.72 105.19 97.62 1thv n GLY 120 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 1thv n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1thv s ARG 122 N -3.70 3.20 0.70 0.00 1.70 -1.26 -4.82 118.95 114.77 1thv s ARG 122 Ca 0.10 -0.68 0.02 0.00 -0.47 0.00 0.00 55.73 54.69 1thv s ARG 122 Cb -0.04 -2.71 0.13 0.00 -0.57 0.00 0.00 34.95 31.76 1thv s ARG 122 CO 0.02 0.00 0.97 0.20 -1.08 0.00 0.00 175.30 175.41 1thv s GLY 123 N -4.14 1.75 0.03 3.88 0.00 -1.26 -4.65 107.32 102.92 1thv s GLY 123 Ca 0.44 -1.87 0.02 0.00 0.00 0.00 0.00 44.72 43.31 1thv s GLY 123 CO 0.34 -1.30 -0.07 -1.34 0.00 0.00 0.00 173.10 170.73 1thv s VAL 124 N -3.06 0.48 -0.03 1.40 -7.23 0.33 -4.97 120.40 107.31 1thv s VAL 124 Ca 0.66 -0.93 -0.09 0.00 -1.81 0.00 0.00 61.98 59.80 1thv s VAL 124 Cb -0.05 -0.54 0.01 0.00 0.56 0.00 0.00 36.38 36.37 1thv s VAL 124 CO 0.44 -0.32 0.21 -0.60 -0.31 0.00 0.00 175.10 174.52 1thv s ARG 125 N -1.35 0.45 -0.35 4.82 3.52 -1.26 -0.55 118.95 124.23 1thv s ARG 125 Ca -0.09 -0.09 -0.00 0.00 -0.13 0.00 0.00 55.73 55.42 1thv s ARG 125 Cb -0.09 0.20 0.12 0.00 -1.56 0.00 0.00 34.95 33.62 1thv s ARG 125 CO 0.00 -0.10 0.17 0.00 -0.81 0.00 0.00 175.30 174.56 1thv n ALA 127 N 4.34 2.13 -1.27 0.00 0.00 -1.26 -1.49 120.51 122.97 1thv n ALA 127 Ca 0.04 -1.96 -0.30 0.00 0.00 0.00 0.00 53.44 51.21 1thv n ALA 127 Cb 0.39 -0.40 0.11 0.00 0.00 0.00 0.00 19.45 19.55 1thv n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1thv s ALA 128 N -1.75 1.99 -1.47 0.00 0.00 -1.26 -4.88 121.76 114.39 1thv s ALA 128 Ca 0.19 0.10 -0.12 0.00 0.00 0.00 0.00 51.96 52.13 1thv s ALA 128 Cb 0.17 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 1thv s ALA 128 CO 0.02 -1.98 2.51 -3.47 0.00 0.00 0.00 175.76 172.84 1thv n ASP 129 N -3.64 5.84 -0.08 0.00 2.03 -1.26 -4.70 116.55 114.74 1thv n ASP 129 Ca 0.08 -2.70 0.01 0.00 0.52 0.00 0.00 54.79 52.70 1thv n ASP 129 Cb 0.54 -1.56 0.30 0.00 -0.72 0.00 0.00 41.12 39.68 1thv n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1thv h ILE 130 N 3.59 1.17 -0.14 5.18 2.04 -1.97 -2.09 117.51 125.29 1thv h ILE 130 Ca 0.68 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 1thv h ILE 130 Cb 0.47 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1thv h ILE 130 CO 1.83 0.20 0.06 0.58 0.00 0.00 0.00 178.15 180.83 1thv h VAL 131 N 0.71 1.13 -0.24 1.67 2.07 -1.91 -0.45 116.25 119.23 1thv h VAL 131 Ca 0.18 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1thv h VAL 131 Cb 0.08 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1thv h VAL 131 CO -0.02 0.12 0.16 1.23 0.02 0.00 0.00 177.57 179.08 1thv h GLY 132 N 0.09 0.34 -1.66 2.17 0.00 -1.89 -2.96 103.07 99.16 1thv h GLY 132 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1thv h GLY 132 CO -0.01 0.12 0.00 -1.06 0.00 0.00 0.00 176.54 175.60 1thv n GLN 133 N -4.50 1.86 -1.65 4.80 6.02 -0.81 -5.01 117.38 118.09 1thv n GLN 133 Ca 0.01 -1.74 -0.49 0.00 -0.01 0.00 0.00 57.00 54.77 1thv n GLN 133 Cb 0.08 -1.39 -0.05 0.00 1.02 0.00 0.00 30.24 29.90 1thv n GLN 133 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1thv n PRO 135 N 3.46 1.55 -0.25 0.00 -0.02 -1.26 -4.77 135.00 133.71 1thv n PRO 135 Ca 0.18 0.57 0.06 0.00 -2.02 0.00 0.00 63.50 62.29 1thv n PRO 135 Cb 0.25 -2.49 0.18 0.00 -0.02 0.00 0.00 33.50 31.41 1thv n PRO 135 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1thv h ALA 136 N 1.28 0.91 0.00 3.55 0.00 -1.99 0.12 119.26 123.13 1thv h ALA 136 Ca -0.50 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1thv h ALA 136 Cb 1.32 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1thv h ALA 136 CO 0.56 -0.37 0.00 0.87 0.00 0.00 0.00 179.25 180.31 1thv h LYS 137 N 0.22 0.00 0.00 0.00 1.57 -2.02 -3.06 116.57 113.28 1thv h LYS 137 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1thv h LYS 137 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1thv h LYS 137 CO -0.55 0.00 -1.08 1.28 -0.57 0.00 0.00 179.45 178.54 1thv n LEU 138 N -2.86 0.60 -4.68 2.94 4.77 0.39 -4.95 117.00 113.21 1thv n LEU 138 Ca 0.00 0.03 -0.44 0.00 -0.03 0.00 0.00 56.01 55.57 1thv n LEU 138 Cb 0.25 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1thv n LEU 138 CO 0.24 0.01 1.43 0.29 -1.33 0.00 0.00 177.39 178.03 1thv n LYS 139 N -2.06 2.57 -2.82 3.23 4.76 -1.08 -0.22 118.16 122.54 1thv n LYS 139 Ca 0.01 0.93 -0.41 0.00 -2.87 0.00 0.00 58.31 55.98 1thv n LYS 139 Cb 0.46 -2.80 -0.04 0.00 -1.84 0.00 0.00 35.03 30.81 1thv n LYS 139 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1thv s ALA 140 N 2.70 3.22 0.35 7.82 0.00 -0.70 -4.86 121.76 130.28 1thv s ALA 140 Ca 0.84 0.41 0.07 0.00 0.00 0.00 0.00 51.96 53.28 1thv s ALA 140 Cb -0.55 -3.21 0.77 0.00 0.00 0.00 0.00 23.12 20.12 1thv s ALA 140 CO 0.40 -0.18 1.88 -1.00 0.00 0.00 0.00 175.76 176.87 1thv h PRO 141 N 6.72 0.73 -0.03 0.00 0.13 -1.92 0.56 132.00 138.18 1thv h PRO 141 Ca -0.41 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1thv h PRO 141 Cb 1.21 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1thv h PRO 141 CO 0.75 0.48 0.00 0.41 -0.23 0.00 0.00 178.00 179.41 1thv n GLY 142 N -1.43 -0.62 0.00 1.56 0.00 -1.26 -5.00 105.19 98.44 1thv n GLY 142 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1thv n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1thv n GLY 143 N 0.99 2.73 0.00 -0.02 0.00 0.19 -4.70 105.19 104.37 1thv n GLY 143 Ca 0.19 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1thv n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1thv n GLY 144 N 0.59 -0.19 2.73 -0.02 0.00 -1.26 -4.43 105.19 102.60 1thv n GLY 144 Ca 0.00 -1.86 -0.28 0.00 0.00 0.00 0.00 46.02 43.88 1thv n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1thv s ASN 146 N 1.82 4.36 0.74 0.00 0.01 0.70 -1.27 114.94 121.30 1thv s ASN 146 Ca 0.01 2.05 -0.11 0.00 -0.71 0.00 0.00 52.86 54.10 1thv s ASN 146 Cb -0.17 -2.55 0.04 0.00 0.41 0.00 0.00 41.25 38.98 1thv s ASN 146 CO -0.13 -2.14 1.11 1.51 -1.51 0.00 0.00 177.10 175.94 1thv s ASP 147 N -2.75 5.06 0.32 -1.22 -4.77 -1.26 -4.80 116.67 107.25 1thv s ASP 147 Ca 0.66 0.92 0.15 0.00 -3.30 0.00 0.00 52.55 50.98 1thv s ASP 147 Cb -0.21 -1.60 0.50 0.00 -1.09 0.00 0.00 42.92 40.51 1thv s ASP 147 CO 0.50 -1.55 1.66 0.00 0.70 0.00 0.00 175.17 176.48 1thv h ALA 148 N -0.76 0.97 -0.09 2.11 0.00 -1.91 -2.94 119.26 116.64 1thv h ALA 148 Ca -0.45 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 53.99 1thv h ALA 148 Cb 1.29 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1thv h ALA 148 CO 0.64 0.63 0.03 0.00 0.00 0.00 0.00 179.25 180.54 1thv h THR 150 N -0.05 0.76 0.01 0.00 2.02 -1.91 0.85 112.91 114.59 1thv h THR 150 Ca 0.03 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1thv h THR 150 Cb 0.22 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1thv h THR 150 CO -0.00 0.12 -0.00 0.58 0.37 0.00 0.00 175.52 176.59 1thv h VAL 151 N 0.67 1.59 0.00 3.16 2.07 -1.31 -3.40 116.25 119.04 1thv h VAL 151 Ca 0.46 -2.00 -0.33 0.00 0.82 0.00 0.00 66.70 65.65 1thv h VAL 151 Cb 0.62 2.92 -0.06 0.00 -1.52 0.00 0.00 31.29 33.25 1thv h VAL 151 CO -0.34 0.50 -2.03 0.49 0.02 0.00 0.00 177.57 176.21 1thv n PHE 152 N -4.68 0.56 -3.63 1.57 3.72 0.82 -5.02 117.46 110.81 1thv n PHE 152 Ca -0.09 0.20 -0.27 0.00 -0.05 0.00 0.00 57.45 57.24 1thv n PHE 152 Cb 0.40 -1.10 0.03 0.00 -0.94 0.00 0.00 39.48 37.87 1thv n PHE 152 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1thv n GLN 153 N -2.95 -1.24 -4.17 -1.08 6.02 0.29 -5.02 117.38 109.24 1thv n GLN 153 Ca -0.25 0.63 -0.15 0.00 -0.01 0.00 0.00 57.00 57.22 1thv n GLN 153 Cb 1.09 -3.99 -0.11 0.00 1.02 0.00 0.00 30.24 28.25 1thv n GLN 153 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1thv s THR 154 N -3.33 0.94 0.38 5.09 -4.23 -1.26 -4.99 115.64 108.24 1thv s THR 154 Ca 0.34 -1.53 0.14 0.00 -1.18 0.00 0.00 61.69 59.46 1thv s THR 154 Cb -0.12 -1.24 0.36 0.00 1.34 0.00 0.00 72.50 72.83 1thv s THR 154 CO 0.86 -0.48 1.82 0.28 -0.54 0.00 0.00 174.62 176.55 1thv h SER 155 N 3.77 0.53 -0.95 3.99 0.02 -1.95 1.30 113.55 120.26 1thv h SER 155 Ca -0.38 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 60.65 1thv h SER 155 Cb 1.19 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 63.65 1thv h SER 155 CO 0.50 0.19 0.63 -0.08 -1.14 0.00 0.00 176.83 176.92 1thv h GLU 156 N 0.52 1.25 0.01 3.45 4.81 -1.97 1.11 114.58 123.77 1thv h GLU 156 Ca 0.52 -0.08 -0.32 0.00 -0.13 0.00 0.00 59.36 59.36 1thv h GLU 156 Cb 1.15 -0.28 -0.05 0.00 0.63 0.00 0.00 28.75 30.19 1thv h GLU 156 CO -0.26 0.83 -1.94 0.66 -0.73 0.00 0.00 179.01 177.58 1thv n TYR 157 N -4.39 0.72 0.70 0.92 4.01 0.35 -4.42 117.16 115.06 1thv n TYR 157 Ca 0.11 0.25 0.11 0.00 -0.16 0.00 0.00 57.90 58.21 1thv n TYR 157 Cb 0.02 -1.13 0.05 0.00 -0.31 0.00 0.00 39.34 37.97 1thv n TYR 157 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1thv h THR 160 N 0.00 0.02 -2.04 0.00 2.02 -1.83 -2.78 112.91 108.30 1thv h THR 160 Ca -0.42 -0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.19 1thv h THR 160 Cb 1.30 0.02 -0.39 0.00 -1.74 0.00 0.00 68.15 67.33 1thv h THR 160 CO 0.51 0.00 -1.03 0.35 0.37 0.00 0.00 175.52 175.72 1thv n THR 161 N -4.14 -0.23 0.00 3.16 -2.24 -1.26 -5.03 114.28 104.54 1thv n THR 161 Ca 0.43 -4.19 0.00 0.00 -2.27 0.00 0.00 64.05 58.02 1thv n THR 161 Cb 1.89 -1.98 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 1thv n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1thv n GLY 162 N 1.35 -0.22 3.59 3.38 0.00 -1.05 -4.80 105.19 107.44 1thv n GLY 162 Ca 0.23 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.77 1thv n GLY 162 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1thv n LYS 163 N 0.00 1.82 -3.56 1.61 4.81 -1.26 -4.91 118.16 116.66 1thv n LYS 163 Ca 0.00 0.59 -0.10 0.00 -0.87 0.00 0.00 58.31 57.93 1thv n LYS 163 Cb 0.00 -2.76 -0.04 0.00 0.02 0.00 0.00 35.03 32.24 1thv n LYS 163 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1thv n GLY 165 N 0.48 4.27 3.78 0.00 0.00 -1.26 -4.92 105.19 107.54 1thv n GLY 165 Ca -0.10 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 1thv n GLY 165 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1thv s PRO 166 N -1.50 1.72 0.34 1.61 0.04 -1.26 -5.00 135.00 130.95 1thv s PRO 166 Ca 0.00 0.63 0.04 0.00 0.04 0.00 0.00 61.00 61.71 1thv s PRO 166 Cb 0.00 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 1thv s PRO 166 CO 0.00 -1.87 0.16 0.95 0.04 0.00 0.00 177.00 176.28 1thv s THR 167 N -3.11 0.40 0.37 1.26 -4.23 -1.26 -5.01 115.64 104.06 1thv s THR 167 Ca 0.62 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.29 1thv s THR 167 Cb -0.15 -2.48 0.15 0.00 1.34 0.00 0.00 72.50 71.36 1thv s THR 167 CO 0.55 0.00 1.89 -0.33 -0.54 0.00 0.00 174.62 176.19 1thv h GLU 168 N 2.08 0.00 -0.11 3.99 4.39 -1.98 -0.47 114.58 122.48 1thv h GLU 168 Ca -0.33 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.15 1thv h GLU 168 Cb 1.25 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.91 1thv h GLU 168 CO 0.52 0.29 -0.79 1.88 -1.16 0.00 0.00 179.01 179.75 1thv h TYR 169 N 0.00 0.86 -0.41 4.33 0.05 -2.00 -2.62 116.97 117.18 1thv h TYR 169 Ca -0.00 -0.39 -0.05 0.00 0.05 0.00 0.00 58.73 58.33 1thv h TYR 169 Cb 0.57 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.17 1thv h TYR 169 CO 0.00 1.20 0.04 0.66 -1.05 0.00 0.00 178.16 179.01 1thv h SER 170 N 0.42 0.66 0.07 3.88 4.64 -1.80 -2.68 113.55 118.74 1thv h SER 170 Ca -0.05 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 1thv h SER 170 Cb 1.41 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1thv h SER 170 CO 0.15 0.77 -0.05 0.03 -0.87 0.00 0.00 176.83 176.87 1thv h ARG 171 N 0.53 0.00 -0.11 4.77 3.08 -1.09 0.43 114.38 121.99 1thv h ARG 171 Ca 0.12 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 1thv h ARG 171 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1thv h ARG 171 CO 0.01 0.05 0.06 0.35 -1.07 0.00 0.00 179.97 179.37 1thv h PHE 172 N 0.00 0.16 -0.39 3.04 3.57 -1.12 0.78 116.94 122.98 1thv h PHE 172 Ca -0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1thv h PHE 172 Cb 0.10 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1thv h PHE 172 CO 0.00 0.20 0.07 0.74 -2.23 0.00 0.00 178.31 177.09 1thv h PHE 173 N 0.07 0.67 -0.87 0.41 -1.00 -1.15 -2.70 116.94 112.37 1thv h PHE 173 Ca 0.04 -0.09 0.05 0.00 2.81 0.00 0.00 57.97 60.78 1thv h PHE 173 Cb 0.10 -0.19 -0.05 0.00 3.61 0.00 0.00 35.95 39.42 1thv h PHE 173 CO -0.04 0.66 0.57 -0.22 -1.61 0.00 0.00 178.31 177.68 1thv h LYS 174 N 0.48 0.99 -0.35 1.51 1.63 -0.79 0.17 116.57 120.22 1thv h LYS 174 Ca 0.12 -0.06 -0.14 0.00 -0.85 0.00 0.00 60.65 59.72 1thv h LYS 174 Cb 0.34 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 1thv h LYS 174 CO 0.01 0.66 -0.33 -0.09 -3.45 0.00 0.00 179.45 176.24 1thv h ARG 175 N 1.02 0.79 0.04 1.90 2.43 -0.69 -2.45 114.38 117.43 1thv h ARG 175 Ca 0.36 -0.38 -0.24 0.00 -0.81 0.00 0.00 59.98 58.92 1thv h ARG 175 Cb 0.14 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1thv h ARG 175 CO -0.13 1.01 -1.02 -0.07 -1.51 0.00 0.00 179.97 178.26 1thv h LEU 176 N 0.66 0.47 -6.55 3.80 3.38 -1.12 -3.40 115.31 112.56 1thv h LEU 176 Ca 0.07 -0.41 -0.59 0.00 0.09 0.00 0.00 57.88 57.04 1thv h LEU 176 Cb 0.88 -0.15 -0.39 0.00 0.09 0.00 0.00 40.66 41.10 1thv h LEU 176 CO 0.08 1.24 -0.88 0.00 0.09 0.00 0.00 178.44 178.97 1thv h PRO 178 N 6.38 0.00 -0.05 0.00 0.11 -1.66 -2.64 132.00 134.13 1thv h PRO 178 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1thv h PRO 178 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1thv h PRO 178 CO 0.34 0.07 0.00 -0.25 -0.21 0.00 0.00 178.00 177.96 1thv n ASP 179 N -3.62 0.58 -4.52 -2.05 8.00 -1.26 -4.85 116.55 108.83 1thv n ASP 179 Ca -0.02 -1.45 -0.30 0.00 0.71 0.00 0.00 54.79 53.73 1thv n ASP 179 Cb 0.18 -0.03 -0.11 0.00 -0.02 0.00 0.00 41.12 41.15 1thv n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1thv s ALA 180 N -1.94 2.79 0.29 2.24 0.00 -1.00 -4.58 121.76 119.56 1thv s ALA 180 Ca 0.33 -1.25 -0.30 0.00 0.00 0.00 0.00 51.96 50.74 1thv s ALA 180 Cb 0.16 -0.80 -0.11 0.00 0.00 0.00 0.00 23.12 22.37 1thv s ALA 180 CO 0.26 0.61 1.50 -0.06 0.00 0.00 0.00 175.76 178.07 1thv s PHE 181 N -1.11 2.86 -0.21 0.00 0.40 -0.87 -4.79 117.98 114.26 1thv s PHE 181 Ca 0.18 0.96 0.11 0.00 -0.60 0.00 0.00 56.93 57.58 1thv s PHE 181 Cb -0.11 -3.94 -0.15 0.00 0.51 0.00 0.00 43.02 39.33 1thv s PHE 181 CO 0.10 -3.05 0.33 -1.13 0.70 0.00 0.00 175.22 172.17 1thv n SER 182 N 1.96 1.68 -3.44 1.36 3.41 -1.26 -0.68 113.62 116.65 1thv n SER 182 Ca 0.06 -0.30 -0.12 0.00 -0.26 0.00 0.00 58.87 58.25 1thv n SER 182 Cb 0.39 1.30 -0.02 0.00 -0.26 0.00 0.00 64.21 65.62 1thv n SER 182 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1thv s TYR 183 N -2.47 -0.51 0.23 7.33 1.13 -1.26 -4.62 117.35 117.19 1thv s TYR 183 Ca -0.01 0.33 -0.11 0.00 -1.41 0.00 0.00 57.07 55.87 1thv s TYR 183 Cb 0.07 0.55 0.33 0.00 -1.10 0.00 0.00 41.96 41.82 1thv s TYR 183 CO 0.45 -0.79 1.62 0.28 -2.51 0.00 0.00 175.55 174.60 1thv h VAL 184 N 2.03 0.30 -0.35 -3.49 2.07 -1.93 0.33 116.25 115.19 1thv h VAL 184 Ca -0.32 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1thv h VAL 184 Cb 1.29 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1thv h VAL 184 CO 0.37 0.00 0.00 0.18 0.02 0.00 0.00 177.57 178.14 1thv n LEU 185 N -5.44 2.08 -4.63 2.57 4.32 -1.26 -4.97 117.00 109.67 1thv n LEU 185 Ca 0.11 -1.04 -0.35 0.00 -0.02 0.00 0.00 56.01 54.70 1thv n LEU 185 Cb 0.40 -0.28 0.09 0.00 -1.62 0.00 0.00 43.42 42.01 1thv n LEU 185 CO 0.02 0.47 0.57 -0.67 -1.22 0.00 0.00 177.39 176.56 1thv n ASP 186 N 0.52 0.55 -4.72 -1.43 -0.08 0.10 -4.85 116.55 106.64 1thv n ASP 186 Ca 0.12 0.65 -0.42 0.00 -1.51 0.00 0.00 54.79 53.63 1thv n ASP 186 Cb 0.35 -1.42 -0.03 0.00 2.34 0.00 0.00 41.12 42.36 1thv n ASP 186 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1thv s LYS 187 N -3.48 4.34 0.18 -0.67 0.00 -1.26 -4.88 119.74 113.98 1thv s LYS 187 Ca 0.73 2.05 -0.32 0.00 0.00 0.00 0.00 55.97 58.43 1thv s LYS 187 Cb -0.33 -3.24 -0.15 0.00 0.00 0.00 0.00 37.83 34.10 1thv s LYS 187 CO 0.51 -0.39 1.16 -2.30 0.00 0.00 0.00 175.35 174.33 1thv n PRO 188 N 3.65 1.21 -0.06 1.78 -0.02 -1.26 -4.89 135.00 135.41 1thv n PRO 188 Ca 0.10 0.43 0.02 0.00 -2.02 0.00 0.00 63.50 62.03 1thv n PRO 188 Cb 0.43 -1.93 0.05 0.00 -0.02 0.00 0.00 33.50 32.03 1thv n PRO 188 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1thv n THR 189 N 1.44 0.99 -1.89 3.45 5.66 -1.26 -5.04 114.28 117.63 1thv n THR 189 Ca 0.15 -1.00 -0.39 0.00 -3.05 0.00 0.00 64.05 59.76 1thv n THR 189 Cb 0.25 0.50 0.01 0.00 -1.55 0.00 0.00 70.33 69.55 1thv n THR 189 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1thv s THR 190 N -1.00 2.27 -0.08 1.09 2.01 -1.26 -4.84 115.64 113.83 1thv s THR 190 Ca 0.08 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.32 1thv s THR 190 Cb 0.04 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 1thv s THR 190 CO 0.06 0.02 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.23 1thv s VAL 191 N -1.26 3.52 -0.24 3.82 1.01 0.81 -4.94 120.40 123.13 1thv s VAL 191 Ca 0.62 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.93 1thv s VAL 191 Cb -0.41 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1thv s VAL 191 CO 0.52 0.57 0.28 -0.89 0.00 0.00 0.00 175.10 175.58 1thv s THR 192 N -0.49 5.26 0.28 3.92 2.01 -1.26 -1.24 115.64 124.12 1thv s THR 192 Ca 0.07 0.43 0.11 0.00 0.31 0.00 0.00 61.69 62.60 1thv s THR 192 Cb -0.12 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 1thv s THR 192 CO 0.02 0.27 -0.10 0.00 -0.69 0.00 0.00 174.62 174.11 1thv s PRO 194 N -3.60 3.20 0.51 0.00 0.02 -1.26 -0.19 135.00 133.68 1thv s PRO 194 Ca 0.31 2.00 -0.22 0.00 0.02 0.00 0.00 61.00 63.11 1thv s PRO 194 Cb -0.05 -2.17 -0.07 0.00 0.02 0.00 0.00 34.50 32.23 1thv s PRO 194 CO 0.17 -1.07 1.20 0.41 -0.33 0.00 0.00 177.00 177.39 1thv n GLY 195 N 0.61 0.34 2.49 0.52 0.00 -0.65 -2.93 105.19 105.58 1thv n GLY 195 Ca 0.11 0.04 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 1thv n GLY 195 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1thv n SER 196 N -0.46 -4.54 -4.86 1.61 7.64 -1.26 -4.91 113.62 106.85 1thv n SER 196 Ca 0.10 -0.14 -0.29 0.00 1.01 0.00 0.00 58.87 59.55 1thv n SER 196 Cb 0.43 -3.49 0.09 0.00 -1.01 0.00 0.00 64.21 60.23 1thv n SER 196 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1thv s SER 197 N -2.67 4.45 0.19 6.43 0.01 -1.15 -5.01 113.70 115.95 1thv s SER 197 Ca 0.14 0.93 0.10 0.00 1.31 0.00 0.00 55.95 58.43 1thv s SER 197 Cb -0.06 -1.52 -0.04 0.00 0.21 0.00 0.00 66.02 64.60 1thv s SER 197 CO 0.18 -1.96 -0.13 0.20 0.41 0.00 0.00 173.24 171.94 1thv s ASN 198 N -4.35 4.06 0.18 2.44 0.01 -1.26 -4.59 114.94 111.42 1thv s ASN 198 Ca 0.62 -0.67 -0.01 0.00 -0.71 0.00 0.00 52.86 52.09 1thv s ASN 198 Cb -0.12 -0.60 -0.04 0.00 0.41 0.00 0.00 41.25 40.89 1thv s ASN 198 CO 0.51 0.10 0.09 -0.31 -1.51 0.00 0.00 177.10 175.97 1thv s TYR 199 N -1.79 1.10 -0.05 2.20 2.02 -0.56 -0.09 117.35 120.18 1thv s TYR 199 Ca 0.25 -1.27 0.01 0.00 -0.37 0.00 0.00 57.07 55.68 1thv s TYR 199 Cb -0.08 -0.58 0.02 0.00 -0.40 0.00 0.00 41.96 40.92 1thv s TYR 199 CO 0.14 -0.52 -0.04 0.50 -1.57 0.00 0.00 175.55 174.06 1thv s ARG 200 N -4.08 0.83 -0.21 -0.62 3.52 0.57 -1.44 118.95 117.52 1thv s ARG 200 Ca 0.32 -0.10 -0.03 0.00 -0.13 0.00 0.00 55.73 55.80 1thv s ARG 200 Cb 0.07 -0.85 -0.00 0.00 -1.56 0.00 0.00 34.95 32.60 1thv s ARG 200 CO 0.08 -0.09 -0.08 0.08 -0.81 0.00 0.00 175.30 174.47 1thv s VAL 201 N 0.97 3.07 -0.12 7.11 1.01 0.26 -1.78 120.40 130.93 1thv s VAL 201 Ca -0.10 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1thv s VAL 201 Cb -0.14 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 1thv s VAL 201 CO -0.00 0.46 -0.18 -0.89 0.00 0.00 0.00 175.10 174.48 1thv s THR 202 N 1.36 2.59 -0.05 3.92 2.01 0.30 -1.05 115.64 124.72 1thv s THR 202 Ca 0.04 -0.83 -0.16 0.00 0.31 0.00 0.00 61.69 61.05 1thv s THR 202 Cb -0.14 -2.05 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 1thv s THR 202 CO -0.05 0.54 0.44 -0.36 -0.69 0.00 0.00 174.62 174.50 1thv s PHE 203 N 0.36 3.64 -1.05 4.92 0.08 0.66 -0.65 117.98 125.94 1thv s PHE 203 Ca -0.14 0.95 -0.03 0.00 0.12 0.00 0.00 56.93 57.83 1thv s PHE 203 Cb -0.17 -2.41 -0.03 0.00 -0.57 0.00 0.00 43.02 39.84 1thv s PHE 203 CO 0.07 0.43 0.89 0.00 -0.10 0.00 0.00 175.22 176.51 1thv s PRO 205 N -4.80 2.32 -0.01 0.00 0.04 -1.26 -4.46 135.00 126.83 1thv s PRO 205 Ca 0.20 1.87 0.08 0.00 0.04 0.00 0.00 61.00 63.19 1thv s PRO 205 Cb -0.03 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.55 1thv s PRO 205 CO 0.68 -1.73 0.18 0.25 0.04 0.00 0.00 177.00 176.43 1thv n THR 206 N -2.38 0.00 0.00 1.26 -2.24 -1.26 -5.05 114.28 104.61 1thv n THR 206 Ca 0.14 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1thv n THR 206 Cb 0.49 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1thv n THR 206 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50