#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nks s LYS 2 N 0.00 4.70 -0.12 0.03 1.02 -0.56 -4.81 119.74 120.01 1nks s LYS 2 Ca 0.00 1.53 -0.07 0.00 0.02 0.00 0.00 55.97 57.45 1nks s LYS 2 Cb 0.00 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.94 1nks s LYS 2 CO 0.00 0.24 0.12 0.42 -0.92 0.00 0.00 175.35 175.21 1nks s ILE 3 N -0.30 5.38 -0.02 2.17 1.01 -1.26 -1.16 121.20 127.01 1nks s ILE 3 Ca 0.46 0.16 0.03 0.00 0.00 0.00 0.00 60.65 61.30 1nks s ILE 3 Cb -0.25 -3.34 -0.00 0.00 0.01 0.00 0.00 42.46 38.87 1nks s ILE 3 CO 0.32 0.61 -0.10 -0.83 0.00 0.00 0.00 174.94 174.93 1nks s GLY 4 N -0.93 0.55 -0.24 6.18 0.00 -0.05 -0.69 107.32 112.14 1nks s GLY 4 Ca 0.14 -0.40 -0.07 0.00 0.00 0.00 0.00 44.72 44.39 1nks s GLY 4 CO 0.03 -0.21 0.07 -0.42 0.00 0.00 0.00 173.10 172.58 1nks s ILE 5 N 0.02 4.39 -0.36 0.90 1.01 0.17 -0.35 121.20 126.97 1nks s ILE 5 Ca -0.01 -0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.37 1nks s ILE 5 Cb -0.07 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.36 1nks s ILE 5 CO 0.00 0.35 0.25 -0.69 0.00 0.00 0.00 174.94 174.85 1nks s VAL 6 N 1.49 5.12 0.29 2.92 1.01 0.72 0.82 120.40 132.77 1nks s VAL 6 Ca 0.06 -0.46 0.10 0.00 0.00 0.00 0.00 61.98 61.67 1nks s VAL 6 Cb -0.15 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1nks s VAL 6 CO 0.04 -0.13 -0.02 0.42 0.00 0.00 0.00 175.10 175.41 1nks s THR 7 N 1.68 3.12 -0.11 3.92 -4.23 -0.63 -2.53 115.64 116.87 1nks s THR 7 Ca 0.05 -1.98 -0.30 0.00 -1.18 0.00 0.00 61.69 58.28 1nks s THR 7 Cb -0.18 -2.77 0.12 0.00 1.34 0.00 0.00 72.50 71.01 1nks s THR 7 CO 0.09 -0.33 0.95 -0.83 -0.54 0.00 0.00 174.62 173.96 1nks s GLY 8 N -3.67 -0.35 0.27 3.99 0.00 -1.26 -1.04 107.32 105.25 1nks s GLY 8 Ca 0.32 1.66 -0.13 0.00 0.00 0.00 0.00 44.72 46.57 1nks s GLY 8 CO 0.19 0.80 0.65 -0.26 0.00 0.00 0.00 173.10 174.48 1nks s ILE 9 N -1.77 4.78 -0.27 0.90 -4.36 -1.26 -4.79 121.20 114.43 1nks s ILE 9 Ca -0.00 0.79 -0.37 0.00 -0.26 0.00 0.00 60.65 60.81 1nks s ILE 9 Cb -0.01 -3.64 -0.13 0.00 1.25 0.00 0.00 42.46 39.93 1nks s ILE 9 CO -0.01 -0.08 1.97 -2.65 0.24 0.00 0.00 174.94 174.41 1nks n PRO 10 N -0.10 1.32 0.00 0.37 -0.02 -1.26 -2.01 135.00 133.30 1nks n PRO 10 Ca 0.01 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1nks n PRO 10 Cb 0.53 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1nks n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nks n GLY 11 N 5.29 1.50 0.07 -1.23 0.00 -1.26 -5.00 105.19 104.56 1nks n GLY 11 Ca 0.32 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.47 1nks n GLY 11 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1nks n VAL 12 N 0.00 0.37 -0.78 1.61 0.31 -0.85 -4.64 118.33 114.34 1nks n VAL 12 Ca 0.00 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1nks n VAL 12 Cb 0.00 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 1nks n VAL 12 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nks n GLY 13 N 1.36 1.08 0.26 2.92 0.00 -1.26 -4.88 105.19 104.67 1nks n GLY 13 Ca 0.05 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 1nks n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1nks h LYS 14 N 0.00 0.88 -0.56 1.61 3.64 -1.92 -2.08 116.57 118.14 1nks h LYS 14 Ca 0.00 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 1nks h LYS 14 Cb 0.33 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 1nks h LYS 14 CO 0.00 0.85 0.32 0.77 -2.27 0.00 0.00 179.45 179.12 1nks h SER 15 N 0.76 0.69 -0.41 4.20 0.02 -1.98 0.27 113.55 117.10 1nks h SER 15 Ca 0.16 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1nks h SER 15 Cb 0.39 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1nks h SER 15 CO 0.01 0.57 0.27 0.74 -1.14 0.00 0.00 176.83 177.27 1nks h THR 16 N 0.75 1.10 -0.50 -2.27 2.02 -1.94 0.31 112.91 112.38 1nks h THR 16 Ca 0.20 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1nks h THR 16 Cb 0.02 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1nks h THR 16 CO -0.03 0.10 0.24 0.58 0.37 0.00 0.00 175.52 176.78 1nks h VAL 17 N 0.55 1.19 -0.76 3.16 2.07 -0.82 0.49 116.25 122.13 1nks h VAL 17 Ca 0.15 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 1nks h VAL 17 Cb -0.06 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 1nks h VAL 17 CO -0.04 0.21 0.30 -0.07 0.02 0.00 0.00 177.57 177.99 1nks h LEU 18 N 0.66 1.04 -0.44 2.57 3.38 -0.02 0.38 115.31 122.89 1nks h LEU 18 Ca 0.17 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1nks h LEU 18 Cb 0.12 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1nks h LEU 18 CO -0.02 0.93 0.24 0.00 0.09 0.00 0.00 178.44 179.68 1nks h ALA 19 N 1.21 0.56 -0.78 1.53 0.00 -0.09 0.21 119.26 121.90 1nks h ALA 19 Ca 0.25 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1nks h ALA 19 Cb 0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1nks h ALA 19 CO -0.02 -0.10 0.38 -0.22 0.00 0.00 0.00 179.25 179.29 1nks h LYS 20 N 0.47 1.13 -0.38 0.00 3.11 -0.36 -1.24 116.57 119.31 1nks h LYS 20 Ca 0.19 -0.16 0.01 0.00 -2.81 0.00 0.00 60.65 57.87 1nks h LYS 20 Cb 0.07 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 31.07 1nks h LYS 20 CO -0.11 0.87 0.23 0.28 -2.81 0.00 0.00 179.45 177.91 1nks h VAL 21 N 1.11 1.06 -0.10 2.00 2.07 0.57 -0.76 116.25 122.21 1nks h VAL 21 Ca 0.27 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1nks h VAL 21 Cb 0.11 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1nks h VAL 21 CO -0.03 0.09 0.06 0.50 0.02 0.00 0.00 177.57 178.20 1nks h LYS 22 N 0.48 0.12 -0.28 1.57 3.64 -0.58 -1.26 116.57 120.25 1nks h LYS 22 Ca 0.15 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1nks h LYS 22 Cb -0.02 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1nks h LYS 22 CO -0.05 0.08 0.17 1.49 -2.27 0.00 0.00 179.45 178.87 1nks h GLU 23 N 0.13 0.35 -0.71 1.90 4.81 -1.01 0.16 114.58 120.19 1nks h GLU 23 Ca 0.04 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1nks h GLU 23 Cb -0.01 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.23 1nks h GLU 23 CO -0.01 0.23 0.38 0.82 -0.73 0.00 0.00 179.01 179.69 1nks h ILE 24 N 0.36 0.89 -0.14 2.32 2.04 -1.00 -1.18 117.51 120.79 1nks h ILE 24 Ca 0.11 -0.22 -0.17 0.00 1.00 0.00 0.00 64.86 65.57 1nks h ILE 24 Cb -0.02 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1nks h ILE 24 CO -0.04 0.12 -0.62 -0.07 0.00 0.00 0.00 178.15 177.54 1nks h LEU 25 N 0.65 0.58 -0.19 1.44 3.38 -0.68 -3.12 115.31 117.38 1nks h LEU 25 Ca 0.34 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1nks h LEU 25 Cb 0.31 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1nks h LEU 25 CO -0.24 1.06 0.08 0.44 0.09 0.00 0.00 178.44 179.87 1nks h ASP 26 N 0.37 0.25 -0.05 -0.43 3.32 -0.05 -0.85 116.42 118.98 1nks h ASP 26 Ca -0.01 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 56.92 1nks h ASP 26 Cb 1.18 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.66 1nks h ASP 26 CO 0.11 0.32 0.08 0.78 -1.72 0.00 0.00 179.24 178.81 1nks h ASN 27 N 0.16 0.00 -0.35 6.45 2.35 -1.27 0.50 115.58 123.42 1nks h ASN 27 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1nks h ASN 27 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1nks h ASN 27 CO -0.01 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.77 1nks n GLN 28 N -3.60 2.27 -3.60 0.81 6.02 -1.04 -4.94 117.38 113.29 1nks n GLN 28 Ca -0.02 -1.92 -0.25 0.00 -0.01 0.00 0.00 57.00 54.80 1nks n GLN 28 Cb 0.16 -1.47 0.06 0.00 1.02 0.00 0.00 30.24 30.01 1nks n GLN 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nks n GLY 29 N 1.39 -0.53 3.66 1.08 0.00 0.18 -4.98 105.19 105.98 1nks n GLY 29 Ca 0.18 0.22 -0.36 0.00 0.00 0.00 0.00 46.02 46.06 1nks n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nks s ILE 30 N -3.28 5.26 0.01 -0.61 1.01 -0.36 -5.03 121.20 118.20 1nks s ILE 30 Ca 0.57 0.14 -0.32 0.00 0.00 0.00 0.00 60.65 61.04 1nks s ILE 30 Cb -0.26 -3.44 -0.11 0.00 0.01 0.00 0.00 42.46 38.66 1nks s ILE 30 CO 0.70 0.37 1.87 -3.20 0.00 0.00 0.00 174.94 174.68 1nks n ASN 31 N 4.13 3.72 -3.82 3.58 5.15 -1.26 -4.52 115.26 122.24 1nks n ASN 31 Ca -0.15 0.97 -0.10 0.00 -0.60 0.00 0.00 54.58 54.69 1nks n ASN 31 Cb 0.52 -1.45 -0.07 0.00 -0.53 0.00 0.00 39.78 38.25 1nks n ASN 31 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1nks s ASN 32 N 3.62 0.02 -0.03 1.20 2.20 -1.26 -1.63 114.94 119.07 1nks s ASN 32 Ca 0.88 -0.45 -0.04 0.00 -0.94 0.00 0.00 52.86 52.31 1nks s ASN 32 Cb -0.58 0.34 0.01 0.00 -2.00 0.00 0.00 41.25 39.01 1nks s ASN 32 CO 0.45 -0.66 0.11 -0.75 -2.94 0.00 0.00 177.10 173.30 1nks s LYS 33 N -3.20 0.20 -0.22 3.55 2.20 -0.63 -4.99 119.74 116.65 1nks s LYS 33 Ca -0.00 0.02 0.01 0.00 -0.36 0.00 0.00 55.97 55.64 1nks s LYS 33 Cb 0.02 0.09 0.05 0.00 -1.51 0.00 0.00 37.83 36.47 1nks s LYS 33 CO -0.07 -0.03 -0.10 0.42 -0.36 0.00 0.00 175.35 175.20 1nks s ILE 34 N -0.27 1.75 -0.18 5.43 1.01 -1.26 -0.99 121.20 126.69 1nks s ILE 34 Ca -0.03 -1.16 -0.04 0.00 0.00 0.00 0.00 60.65 59.42 1nks s ILE 34 Cb -0.02 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 1nks s ILE 34 CO 0.00 0.11 -0.03 -0.63 0.00 0.00 0.00 174.94 174.39 1nks s ILE 35 N 1.33 3.79 -0.44 2.92 1.01 -0.05 -4.98 121.20 124.78 1nks s ILE 35 Ca -0.03 -0.38 -0.29 0.00 0.00 0.00 0.00 60.65 59.95 1nks s ILE 35 Cb -0.17 -2.68 0.03 0.00 0.01 0.00 0.00 42.46 39.64 1nks s ILE 35 CO -0.08 0.46 1.12 0.21 0.00 0.00 0.00 174.94 176.66 1nks s ASN 36 N 0.72 6.70 0.30 3.58 3.84 -1.26 -0.77 114.94 128.05 1nks s ASN 36 Ca -0.01 0.59 0.05 0.00 0.21 0.00 0.00 52.86 53.69 1nks s ASN 36 Cb -0.14 -2.55 0.70 0.00 -0.55 0.00 0.00 41.25 38.71 1nks s ASN 36 CO 0.02 -1.17 1.80 0.22 -2.79 0.00 0.00 177.10 175.18 1nks h TYR 37 N 8.98 1.08 -0.11 0.43 3.20 -1.58 -1.87 116.97 127.09 1nks h TYR 37 Ca -0.22 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.67 1nks h TYR 37 Cb 1.06 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 39.00 1nks h TYR 37 CO 0.94 0.29 0.04 0.78 -1.64 0.00 0.00 178.16 178.58 1nks h GLY 38 N 0.82 0.19 0.62 1.82 0.00 -1.92 -1.51 103.07 103.09 1nks h GLY 38 Ca 0.55 -0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.84 1nks h GLY 38 CO -0.34 0.10 0.30 -0.55 0.00 0.00 0.00 176.54 176.05 1nks h ASP 39 N 0.00 0.41 0.38 0.19 3.32 -1.83 -1.57 116.42 117.32 1nks h ASP 39 Ca 0.04 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 1nks h ASP 39 Cb 0.21 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1nks h ASP 39 CO -0.00 0.27 -0.41 0.15 -1.72 0.00 0.00 179.24 177.53 1nks h PHE 40 N 0.56 0.06 -0.12 4.55 3.57 -1.23 -0.75 116.94 123.57 1nks h PHE 40 Ca 0.28 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 1nks h PHE 40 Cb 0.22 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 1nks h PHE 40 CO -0.11 0.45 -0.08 1.98 -2.23 0.00 0.00 178.31 178.32 1nks h MET 41 N 0.04 0.26 -0.80 1.11 4.05 -0.77 0.11 114.93 118.94 1nks h MET 41 Ca 0.00 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.27 1nks h MET 41 Cb 0.75 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.51 1nks h MET 41 CO 0.06 0.64 0.38 1.25 0.23 0.00 0.00 176.91 179.46 1nks h LEU 42 N -0.11 1.05 -0.71 3.39 5.85 -0.93 0.79 115.31 124.63 1nks h LEU 42 Ca 0.02 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1nks h LEU 42 Cb 0.57 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1nks h LEU 42 CO 0.02 0.89 0.28 0.00 -0.34 0.00 0.00 178.44 179.29 1nks h ALA 43 N 1.20 0.93 -0.44 1.25 0.00 -1.06 -1.82 119.26 119.32 1nks h ALA 43 Ca 0.27 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1nks h ALA 43 Cb 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1nks h ALA 43 CO -0.03 0.55 -0.23 1.15 0.00 0.00 0.00 179.25 180.69 1nks h THR 44 N 1.02 1.27 -0.45 0.00 2.02 0.19 -2.34 112.91 114.62 1nks h THR 44 Ca 0.24 -1.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.03 1nks h THR 44 Cb 0.21 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1nks h THR 44 CO -0.02 0.47 0.21 0.00 0.37 0.00 0.00 175.52 176.54 1nks h ALA 45 N 0.97 0.58 0.14 6.16 0.00 -0.53 -2.41 119.26 124.16 1nks h ALA 45 Ca 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1nks h ALA 45 Cb 0.77 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1nks h ALA 45 CO 0.06 0.15 -0.07 -0.07 0.00 0.00 0.00 179.25 179.33 1nks h LEU 46 N 0.58 -0.15 -0.43 0.00 3.38 -1.26 -1.80 115.31 115.62 1nks h LEU 46 Ca 0.15 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1nks h LEU 46 Cb 0.14 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1nks h LEU 46 CO -0.02 -0.02 0.00 0.29 0.09 0.00 0.00 178.44 178.78 1nks n LYS 47 N -5.12 0.07 -0.06 1.13 5.02 -0.89 -2.70 118.16 115.61 1nks n LYS 47 Ca -0.08 0.43 0.03 0.00 -2.02 0.00 0.00 58.31 56.67 1nks n LYS 47 Cb 0.14 -1.67 0.04 0.00 -0.02 0.00 0.00 35.03 33.52 1nks n LYS 47 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1nks n LEU 48 N -1.81 1.70 0.00 -0.35 4.77 -0.91 -5.01 117.00 115.38 1nks n LEU 48 Ca 0.01 -2.00 0.00 0.00 -0.03 0.00 0.00 56.01 53.99 1nks n LEU 48 Cb 0.11 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1nks n LEU 48 CO 0.10 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1nks n GLY 49 N -0.69 2.12 0.45 -0.72 0.00 -0.72 -4.89 105.19 100.74 1nks n GLY 49 Ca 0.05 0.00 0.34 0.00 0.00 0.00 0.00 46.02 46.41 1nks n GLY 49 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1nks h TYR 50 N 0.00 0.57 -3.26 1.61 -1.99 -1.73 -3.44 116.97 108.72 1nks h TYR 50 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1nks h TYR 50 Cb 0.00 -0.14 -0.06 0.00 2.00 0.00 0.00 36.73 38.53 1nks h TYR 50 CO 0.00 -0.17 0.10 0.00 -0.00 0.00 0.00 178.16 178.10 1nks s ALA 51 N -5.35 -0.75 -0.00 3.88 0.00 -1.21 -4.90 121.76 113.42 1nks s ALA 51 Ca -0.08 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1nks s ALA 51 Cb 0.29 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 24.30 1nks s ALA 51 CO 0.81 -0.96 0.03 1.17 0.00 0.00 0.00 175.76 176.81 1nks n LYS 52 N -0.45 0.53 -4.12 0.00 3.00 -1.26 -4.00 118.16 111.87 1nks n LYS 52 Ca -0.04 -0.01 -0.14 0.00 -0.00 0.00 0.00 58.31 58.13 1nks n LYS 52 Cb 0.60 -1.03 -0.06 0.00 0.00 0.00 0.00 35.03 34.54 1nks n LYS 52 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1nks s ASP 53 N -2.28 0.71 0.12 3.14 -4.77 -1.26 -5.03 116.67 107.29 1nks s ASP 53 Ca -0.00 -1.41 -0.18 0.00 -3.30 0.00 0.00 52.55 47.66 1nks s ASP 53 Cb 0.01 0.59 -0.04 0.00 -1.09 0.00 0.00 42.92 42.38 1nks s ASP 53 CO 0.05 -1.16 1.67 -0.09 0.70 0.00 0.00 175.17 176.35 1nks h ARG 54 N 2.23 0.44 -0.42 2.11 2.43 -1.98 -3.18 114.38 116.01 1nks h ARG 54 Ca -0.29 -0.07 0.09 0.00 -0.81 0.00 0.00 59.98 58.90 1nks h ARG 54 Cb 1.24 -0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 30.63 1nks h ARG 54 CO 0.40 0.43 -0.17 -0.44 -1.51 0.00 0.00 179.97 178.69 1nks h ASP 55 N 0.34 -0.58 -0.05 -3.80 3.32 -2.00 -0.79 116.42 112.87 1nks h ASP 55 Ca 0.10 0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.31 1nks h ASP 55 Cb 0.15 0.33 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 1nks h ASP 55 CO -0.01 -0.20 0.06 -0.08 -1.72 0.00 0.00 179.24 177.28 1nks h GLU 56 N -0.08 0.00 0.00 3.56 4.81 -1.96 -2.46 114.58 118.45 1nks h GLU 56 Ca 0.20 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.27 1nks h GLU 56 Cb 0.39 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1nks h GLU 56 CO -0.47 0.00 -1.20 0.00 -0.73 0.00 0.00 179.01 176.61 1nks h MET 57 N 0.00 0.00 0.00 1.92 -0.00 -1.16 -3.20 114.93 112.49 1nks h MET 57 Ca 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.70 1nks h MET 57 Cb 0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.73 1nks h MET 57 CO -0.00 0.42 -0.12 0.00 -0.00 0.00 0.00 176.91 177.20 1nks h ARG 58 N 0.00 0.00 -0.57 -0.10 -0.00 -1.18 -2.95 114.38 109.58 1nks h ARG 58 Ca -0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.35 1nks h ARG 58 Cb 1.60 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.57 1nks h ARG 58 CO 0.06 0.12 0.00 1.63 0.00 0.00 0.00 179.97 181.78 1nks n LYS 59 N -3.24 2.62 -2.61 0.04 4.01 -1.07 -4.99 118.16 112.91 1nks n LYS 59 Ca 0.01 -1.94 -0.27 0.00 -0.51 0.00 0.00 58.31 55.60 1nks n LYS 59 Cb 0.40 -1.58 0.01 0.00 -0.51 0.00 0.00 35.03 33.35 1nks n LYS 59 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1nks s LEU 60 N -1.26 3.52 0.48 -0.35 1.43 -1.12 -5.00 118.68 116.37 1nks s LEU 60 Ca 0.35 0.79 -0.23 0.00 -1.03 0.00 0.00 54.13 54.01 1nks s LEU 60 Cb 0.21 -3.70 -0.08 0.00 0.03 0.00 0.00 46.19 42.65 1nks s LEU 60 CO 0.20 -0.73 1.18 -1.54 0.23 0.00 0.00 176.35 175.69 1nks n SER 61 N -2.33 2.02 -0.28 2.29 3.41 -1.26 -4.71 113.62 112.75 1nks n SER 61 Ca 0.02 1.02 0.15 0.00 -0.26 0.00 0.00 58.87 59.79 1nks n SER 61 Cb 0.56 -1.47 0.41 0.00 -0.26 0.00 0.00 64.21 63.45 1nks n SER 61 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1nks h VAL 62 N 1.58 0.75 -0.54 -3.33 2.07 -1.98 0.97 116.25 115.76 1nks h VAL 62 Ca -0.48 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 1nks h VAL 62 Cb 1.32 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1nks h VAL 62 CO 0.57 0.11 0.03 -0.33 0.02 0.00 0.00 177.57 177.98 1nks h GLU 63 N 0.62 0.91 -0.10 1.57 3.07 -2.01 -2.88 114.58 115.77 1nks h GLU 63 Ca 0.49 -0.25 -0.21 0.00 -0.50 0.00 0.00 59.36 58.90 1nks h GLU 63 Cb 0.92 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 1nks h GLU 63 CO -0.24 0.88 -0.78 0.87 -1.40 0.00 0.00 179.01 178.34 1nks h LYS 64 N 0.85 0.57 -0.71 2.33 6.56 -1.19 -3.03 116.57 121.94 1nks h LYS 64 Ca 0.16 -0.48 0.03 0.00 -1.06 0.00 0.00 60.65 59.30 1nks h LYS 64 Cb 0.46 0.11 -0.04 0.00 -0.57 0.00 0.00 32.23 32.18 1nks h LYS 64 CO 0.02 1.11 0.45 1.96 -2.06 0.00 0.00 179.45 180.93 1nks h GLN 65 N 0.38 0.86 -0.55 3.15 4.20 -1.20 -0.89 115.11 121.07 1nks h GLN 65 Ca -0.05 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.62 1nks h GLN 65 Cb 1.39 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.94 1nks h GLN 65 CO 0.15 0.57 0.35 -0.22 -0.67 0.00 0.00 178.83 179.00 1nks h LYS 66 N 0.88 0.68 -0.27 1.46 3.64 -1.52 0.13 116.57 121.58 1nks h LYS 66 Ca 0.28 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1nks h LYS 66 Cb -0.00 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 1nks h LYS 66 CO -0.10 0.45 0.10 0.87 -2.27 0.00 0.00 179.45 178.50 1nks h LYS 67 N 0.70 0.21 0.04 1.90 6.56 -1.30 -1.07 116.57 123.62 1nks h LYS 67 Ca 0.21 -0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.81 1nks h LYS 67 Cb -0.04 -0.05 -0.05 0.00 -0.57 0.00 0.00 32.23 31.52 1nks h LYS 67 CO -0.06 0.14 -0.30 1.25 -2.06 0.00 0.00 179.45 178.41 1nks h LEU 68 N 0.22 -0.89 -1.62 2.94 6.46 -0.47 -1.09 115.31 120.86 1nks h LEU 68 Ca 0.12 0.11 0.01 0.00 -0.12 0.00 0.00 57.88 58.01 1nks h LEU 68 Cb 0.08 0.35 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 1nks h LEU 68 CO -0.12 -0.38 0.28 0.06 -0.62 0.00 0.00 178.44 177.66 1nks h GLN 69 N -0.48 0.51 -0.17 1.25 3.07 -0.38 -0.97 115.11 117.94 1nks h GLN 69 Ca 0.05 -0.03 -0.03 0.00 0.09 0.00 0.00 58.65 58.73 1nks h GLN 69 Cb 0.54 -0.11 -0.01 0.00 0.08 0.00 0.00 27.48 27.98 1nks h GLN 69 CO -0.23 0.33 -0.01 0.82 0.09 0.00 0.00 178.83 179.84 1nks h ILE 70 N 0.52 1.26 -0.51 1.86 2.04 -0.31 -1.11 117.51 121.27 1nks h ILE 70 Ca 0.16 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 65.15 1nks h ILE 70 Cb 0.01 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1nks h ILE 70 CO -0.04 0.26 0.33 0.44 0.00 0.00 0.00 178.15 179.14 1nks h ASP 71 N 0.04 0.55 -0.62 1.72 3.32 -0.83 0.17 116.42 120.77 1nks h ASP 71 Ca 0.05 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.12 1nks h ASP 71 Cb 0.40 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 1nks h ASP 71 CO 0.01 0.40 0.37 0.00 -1.72 0.00 0.00 179.24 178.30 1nks h ALA 72 N 1.20 0.80 -0.36 3.45 0.00 -1.17 0.25 119.26 123.43 1nks h ALA 72 Ca 0.19 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1nks h ALA 72 Cb -0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1nks h ALA 72 CO -0.06 0.11 0.09 0.00 0.00 0.00 0.00 179.25 179.39 1nks h ALA 73 N 1.28 0.47 -0.51 0.00 0.00 -0.62 -1.45 119.26 118.43 1nks h ALA 73 Ca 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1nks h ALA 73 Cb 0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1nks h ALA 73 CO -0.11 0.15 0.24 0.87 0.00 0.00 0.00 179.25 180.40 1nks h LYS 74 N 0.43 0.71 -0.49 0.00 1.57 -0.05 -1.75 116.57 116.99 1nks h LYS 74 Ca 0.11 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 1nks h LYS 74 Cb 0.30 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1nks h LYS 74 CO 0.00 0.56 -0.08 0.78 -0.57 0.00 0.00 179.45 180.14 1nks h GLY 75 N 0.82 0.95 0.90 3.86 0.00 0.03 -1.56 103.07 108.08 1nks h GLY 75 Ca 0.18 -0.71 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 1nks h GLY 75 CO -0.02 0.65 -0.22 -2.22 0.00 0.00 0.00 176.54 174.73 1nks h ILE 76 N 0.80 1.31 -0.62 2.60 2.04 -0.82 -1.52 117.51 121.29 1nks h ILE 76 Ca 0.14 -1.38 0.01 0.00 1.00 0.00 0.00 64.86 64.63 1nks h ILE 76 Cb 0.58 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1nks h ILE 76 CO 0.04 0.43 0.41 0.00 0.00 0.00 0.00 178.15 179.03 1nks h ALA 77 N 0.69 1.56 0.61 1.87 0.00 -1.12 -1.27 119.26 121.61 1nks h ALA 77 Ca 0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1nks h ALA 77 Cb 0.77 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1nks h ALA 77 CO 0.06 0.40 -0.31 1.49 0.00 0.00 0.00 179.25 180.90 1nks h GLU 78 N 0.83 -0.81 -0.92 0.00 4.22 -1.07 -2.35 114.58 114.49 1nks h GLU 78 Ca 0.23 0.05 0.20 0.00 0.08 0.00 0.00 59.36 59.92 1nks h GLU 78 Cb -0.09 0.18 -0.11 0.00 0.50 0.00 0.00 28.75 29.23 1nks h GLU 78 CO -0.05 -0.54 0.47 1.49 -2.18 0.00 0.00 179.01 178.21 1nks h GLU 79 N -0.84 0.53 -0.50 1.92 4.57 -0.80 0.13 114.58 119.59 1nks h GLU 79 Ca -0.08 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.03 1nks h GLU 79 Cb 0.65 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 1nks h GLU 79 CO 0.13 0.35 0.19 0.00 -1.18 0.00 0.00 179.01 178.50 1nks h ALA 80 N 1.67 0.66 -0.03 2.92 0.00 -1.00 -0.90 119.26 122.57 1nks h ALA 80 Ca 0.55 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 55.14 1nks h ALA 80 Cb 0.96 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1nks h ALA 80 CO -0.46 0.28 -0.71 0.07 0.00 0.00 0.00 179.25 178.43 1nks h ARG 81 N 0.68 0.16 0.05 0.00 0.11 -0.37 0.34 114.38 115.35 1nks h ARG 81 Ca 0.17 -0.13 -0.00 0.00 0.10 0.00 0.00 59.98 60.11 1nks h ARG 81 Cb 0.22 0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.33 1nks h ARG 81 CO -0.01 0.80 -0.03 0.00 0.10 0.00 0.00 179.97 180.83 1nks h ALA 82 N 1.16 -0.07 0.00 0.08 0.00 -0.65 -3.12 119.26 116.65 1nks h ALA 82 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nks h ALA 82 Cb 1.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1nks h ALA 82 CO 0.10 -0.54 0.12 0.41 0.00 0.00 0.00 179.25 179.34 1nks n GLY 83 N -1.13 -0.71 7.00 0.00 0.00 -0.36 -4.98 105.19 105.01 1nks n GLY 83 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1nks n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nks n GLY 84 N -1.31 1.09 3.76 -0.02 0.00 -1.18 -4.78 105.19 102.76 1nks n GLY 84 Ca -0.01 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 1nks n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nks s GLU 85 N 0.00 3.43 0.00 1.61 2.02 -1.26 0.02 118.70 124.51 1nks s GLU 85 Ca 0.00 2.15 0.00 0.00 0.02 0.00 0.00 54.97 57.14 1nks s GLU 85 Cb 0.00 -2.39 0.00 0.00 0.10 0.00 0.00 34.13 31.84 1nks s GLU 85 CO 0.00 -0.93 0.00 0.41 0.02 0.00 0.00 175.26 174.76 1nks n GLY 86 N 0.64 0.66 3.33 -1.39 0.00 -1.26 -4.67 105.19 102.50 1nks n GLY 86 Ca 0.08 -2.12 -0.32 0.00 0.00 0.00 0.00 46.02 43.66 1nks n GLY 86 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nks s TYR 87 N -0.97 2.60 -0.18 1.61 2.02 -0.64 -1.49 117.35 120.30 1nks s TYR 87 Ca 0.00 -0.62 0.00 0.00 -0.37 0.00 0.00 57.07 56.08 1nks s TYR 87 Cb 0.00 -1.68 0.01 0.00 -0.40 0.00 0.00 41.96 39.89 1nks s TYR 87 CO 0.00 -0.15 -0.17 -1.17 -1.57 0.00 0.00 175.55 172.48 1nks s LEU 88 N -0.10 2.27 -0.14 -1.29 2.96 -0.31 -1.60 118.68 120.48 1nks s LEU 88 Ca -0.04 -0.59 -0.04 0.00 -0.22 0.00 0.00 54.13 53.25 1nks s LEU 88 Cb -0.14 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 1nks s LEU 88 CO 0.04 0.02 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.71 1nks s PHE 89 N 1.21 3.10 -0.23 5.38 0.08 -0.17 -0.87 117.98 126.47 1nks s PHE 89 Ca 0.03 -0.08 -0.08 0.00 0.12 0.00 0.00 56.93 56.92 1nks s PHE 89 Cb -0.14 -1.92 -0.04 0.00 -0.57 0.00 0.00 43.02 40.36 1nks s PHE 89 CO -0.09 0.16 0.08 0.42 -0.10 0.00 0.00 175.22 175.69 1nks s ILE 90 N -0.04 4.58 -0.38 0.64 1.01 0.52 -0.87 121.20 126.66 1nks s ILE 90 Ca 0.03 -0.09 -0.22 0.00 0.00 0.00 0.00 60.65 60.37 1nks s ILE 90 Cb -0.13 -3.12 0.01 0.00 0.01 0.00 0.00 42.46 39.23 1nks s ILE 90 CO 0.02 0.36 0.72 -0.62 0.00 0.00 0.00 174.94 175.42 1nks s ASP 91 N 1.29 6.47 0.00 3.58 2.15 0.05 -0.20 116.67 130.01 1nks s ASP 91 Ca 0.05 0.16 0.00 0.00 0.43 0.00 0.00 52.55 53.19 1nks s ASP 91 Cb -0.15 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 1nks s ASP 91 CO 0.04 -0.71 0.00 1.07 -0.17 0.00 0.00 175.17 175.40 1nks n THR 92 N 5.76 0.00 -4.58 1.71 5.66 -1.05 -1.35 114.28 120.43 1nks n THR 92 Ca 0.01 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.77 1nks n THR 92 Cb 0.48 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.12 1nks n THR 92 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1nks s HIS 93 N -4.05 1.66 -0.03 1.09 3.76 -1.26 -4.13 115.29 112.32 1nks s HIS 93 Ca 0.00 -0.36 -0.21 0.00 -0.15 0.00 0.00 55.06 54.34 1nks s HIS 93 Cb 0.00 -0.99 -0.28 0.00 1.11 0.00 0.00 32.58 32.42 1nks s HIS 93 CO 0.00 0.07 0.98 0.00 -0.85 0.00 0.00 174.74 174.94 1nks h ALA 94 N 4.92 -0.03 -2.96 -1.40 0.00 -1.90 -3.28 119.26 114.61 1nks h ALA 94 Ca -0.41 -0.64 -0.17 0.00 0.00 0.00 0.00 54.91 53.69 1nks h ALA 94 Cb 1.16 0.07 -0.21 0.00 0.00 0.00 0.00 17.79 18.81 1nks h ALA 94 CO 0.44 0.36 -0.65 0.14 0.00 0.00 0.00 179.25 179.54 1nks s VAL 95 N -2.75 0.10 -0.16 0.00 -7.23 -1.26 -0.22 120.40 108.88 1nks s VAL 95 Ca -0.13 -0.83 -0.00 0.00 -1.81 0.00 0.00 61.98 59.21 1nks s VAL 95 Cb 0.02 -0.29 -0.00 0.00 0.56 0.00 0.00 36.38 36.67 1nks s VAL 95 CO 0.83 -0.46 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.39 1nks s ILE 96 N -1.39 2.72 0.28 -0.62 1.01 0.71 -4.86 121.20 119.05 1nks s ILE 96 Ca -0.15 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 59.46 1nks s ILE 96 Cb -0.09 -2.16 -0.10 0.00 0.01 0.00 0.00 42.46 40.13 1nks s ILE 96 CO -0.00 0.51 1.25 -0.13 0.00 0.00 0.00 174.94 176.56 1nks s ARG 97 N 0.86 4.44 0.29 2.79 0.52 -1.26 -1.32 118.95 125.28 1nks s ARG 97 Ca -0.04 2.06 -0.08 0.00 -0.52 0.00 0.00 55.73 57.15 1nks s ARG 97 Cb -0.15 -3.14 -0.00 0.00 0.52 0.00 0.00 34.95 32.18 1nks s ARG 97 CO -0.01 -0.10 0.47 0.95 0.02 0.00 0.00 175.30 176.64 1nks s THR 98 N -0.79 0.00 0.37 0.02 -4.23 -0.65 -4.93 115.64 105.43 1nks s THR 98 Ca 0.50 -1.51 0.07 0.00 -1.18 0.00 0.00 61.69 59.57 1nks s THR 98 Cb -0.37 -2.46 0.18 0.00 1.34 0.00 0.00 72.50 71.20 1nks s THR 98 CO 0.46 0.00 1.93 -0.65 -0.54 0.00 0.00 174.62 175.82 1nks h PRO 99 N 2.21 0.43 -0.07 3.99 0.11 -2.03 -1.84 132.00 134.80 1nks h PRO 99 Ca -0.28 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1nks h PRO 99 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1nks h PRO 99 CO 0.39 0.45 0.00 0.43 -0.21 0.00 0.00 178.00 179.05 1nks n SER 100 N -4.33 1.06 0.00 -2.05 7.64 -1.26 -5.04 113.62 109.64 1nks n SER 100 Ca 0.01 -1.50 0.00 0.00 1.01 0.00 0.00 58.87 58.39 1nks n SER 100 Cb 0.21 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1nks n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nks n GLY 101 N 1.05 -0.33 3.73 0.23 0.00 -0.69 -5.00 105.19 104.18 1nks n GLY 101 Ca 0.17 -2.05 -0.40 0.00 0.00 0.00 0.00 46.02 43.74 1nks n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nks s TYR 102 N 0.00 3.67 -0.23 1.61 2.02 -1.26 -1.64 117.35 121.52 1nks s TYR 102 Ca 0.00 1.43 -0.02 0.00 -0.37 0.00 0.00 57.07 58.10 1nks s TYR 102 Cb 0.00 -2.86 0.01 0.00 -0.40 0.00 0.00 41.96 38.71 1nks s TYR 102 CO 0.00 0.16 -0.07 -1.17 -1.57 0.00 0.00 175.55 172.90 1nks s LEU 103 N 0.42 2.90 0.21 -1.29 2.96 -0.43 -4.92 118.68 118.53 1nks s LEU 103 Ca 0.40 -0.60 -0.32 0.00 -0.22 0.00 0.00 54.13 53.40 1nks s LEU 103 Cb -0.20 -1.68 -0.11 0.00 0.50 0.00 0.00 46.19 44.71 1nks s LEU 103 CO 0.22 -0.06 1.65 -2.16 -1.32 0.00 0.00 176.35 174.68 1nks s PRO 104 N 1.40 4.16 0.41 0.98 0.04 -1.26 -0.20 135.00 140.53 1nks s PRO 104 Ca 0.04 2.51 0.23 0.00 0.04 0.00 0.00 61.00 63.82 1nks s PRO 104 Cb -0.15 -3.10 0.65 0.00 0.04 0.00 0.00 34.50 31.95 1nks s PRO 104 CO -0.05 -0.68 1.71 0.78 0.04 0.00 0.00 177.00 178.80 1nks h GLY 105 N 6.51 0.00 -5.98 0.56 0.00 -0.66 -3.37 103.07 100.13 1nks h GLY 105 Ca -0.43 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.31 1nks h GLY 105 CO 0.92 0.00 -0.73 1.04 0.00 0.00 0.00 176.54 177.77 1nks n LEU 106 N -3.27 3.06 -4.72 3.11 4.77 -1.26 -4.90 117.00 113.79 1nks n LEU 106 Ca 0.01 -5.32 -0.30 0.00 -0.03 0.00 0.00 56.01 50.37 1nks n LEU 106 Cb 0.51 -0.32 0.13 0.00 -2.33 0.00 0.00 43.42 41.41 1nks n LEU 106 CO 0.35 2.13 0.67 -2.16 -1.33 0.00 0.00 177.39 177.05 1nks s PRO 107 N -2.42 1.50 0.20 3.23 0.04 -1.26 -4.46 135.00 131.84 1nks s PRO 107 Ca 0.41 1.03 -0.18 0.00 0.04 0.00 0.00 61.00 62.30 1nks s PRO 107 Cb 0.19 -1.82 0.18 0.00 0.04 0.00 0.00 34.50 33.09 1nks s PRO 107 CO -0.06 -2.13 1.59 0.66 0.04 0.00 0.00 177.00 177.10 1nks h SER 108 N -1.48 -1.07 0.27 6.66 4.64 -1.97 0.17 113.55 120.77 1nks h SER 108 Ca -0.47 0.23 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1nks h SER 108 Cb 1.26 0.57 -0.00 0.00 -0.31 0.00 0.00 62.40 63.92 1nks h SER 108 CO 0.52 -0.29 -0.02 0.10 -0.87 0.00 0.00 176.83 176.27 1nks h TYR 109 N -0.11 0.00 0.00 4.77 -0.00 -2.00 -2.67 116.97 116.96 1nks h TYR 109 Ca 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.88 1nks h TYR 109 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.27 1nks h TYR 109 CO -0.65 0.02 -0.85 0.28 -0.00 0.00 0.00 178.16 176.96 1nks h VAL 110 N 0.00 0.59 -0.65 -0.90 2.07 -1.06 -3.39 116.25 112.90 1nks h VAL 110 Ca -0.00 -1.70 0.05 0.00 0.82 0.00 0.00 66.70 65.87 1nks h VAL 110 Cb 0.16 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1nks h VAL 110 CO 0.00 0.20 0.43 -0.29 0.02 0.00 0.00 177.57 177.93 1nks h ILE 111 N -1.00 1.04 0.00 4.57 6.09 -1.04 -1.78 117.51 125.39 1nks h ILE 111 Ca -0.19 -0.24 0.00 0.00 -1.37 0.00 0.00 64.86 63.06 1nks h ILE 111 Cb 0.93 0.28 0.00 0.00 0.47 0.00 0.00 36.82 38.50 1nks h ILE 111 CO -0.11 0.13 0.00 0.35 -3.07 0.00 0.00 178.15 175.45 1nks n THR 112 N -4.47 0.66 0.03 2.19 -2.24 -1.01 -1.10 114.28 108.34 1nks n THR 112 Ca 0.09 0.12 -0.20 0.00 -2.27 0.00 0.00 64.05 61.79 1nks n THR 112 Cb 0.19 -0.86 -0.14 0.00 -2.10 0.00 0.00 70.33 67.42 1nks n THR 112 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1nks h GLU 113 N 0.00 0.28 0.20 -0.78 4.39 -1.52 -3.38 114.58 113.76 1nks h GLU 113 Ca 0.00 -0.47 -0.32 0.00 0.34 0.00 0.00 59.36 58.91 1nks h GLU 113 Cb 0.39 0.18 0.02 0.00 -0.10 0.00 0.00 28.75 29.24 1nks h GLU 113 CO 0.00 1.16 -1.42 0.82 -1.16 0.00 0.00 179.01 178.41 1nks h ILE 114 N 0.08 1.33 -6.48 3.13 2.04 -1.25 -3.44 117.51 112.91 1nks h ILE 114 Ca -0.36 -2.82 -0.44 0.00 1.00 0.00 0.00 64.86 62.24 1nks h ILE 114 Cb 2.05 2.98 0.02 0.00 -0.74 0.00 0.00 36.82 41.13 1nks h ILE 114 CO 0.13 0.84 -0.89 0.59 0.00 0.00 0.00 178.15 178.82 1nks n ASN 115 N -3.63 -5.21 -4.80 1.72 3.02 -0.26 -4.82 115.26 101.28 1nks n ASN 115 Ca -0.14 -0.94 -0.31 0.00 -0.03 0.00 0.00 54.58 53.16 1nks n ASN 115 Cb 1.07 -2.59 0.07 0.00 -0.61 0.00 0.00 39.78 37.72 1nks n ASN 115 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1nks s PRO 116 N -5.52 2.62 0.04 3.52 0.04 -1.26 -4.85 135.00 129.58 1nks s PRO 116 Ca 0.24 0.99 -0.11 0.00 0.04 0.00 0.00 61.00 62.16 1nks s PRO 116 Cb -0.11 -1.95 -0.32 0.00 0.04 0.00 0.00 34.50 32.16 1nks s PRO 116 CO 0.89 -1.33 1.02 0.77 0.04 0.00 0.00 177.00 178.38 1nks h SER 117 N -0.89 0.66 -4.64 6.66 0.02 -1.27 -3.41 113.55 110.68 1nks h SER 117 Ca -0.44 -0.73 -0.17 0.00 -0.84 0.00 0.00 61.79 59.61 1nks h SER 117 Cb 1.22 -0.22 -0.22 0.00 0.14 0.00 0.00 62.40 63.32 1nks h SER 117 CO 0.55 1.58 -0.57 -0.69 -1.14 0.00 0.00 176.83 176.56 1nks s VAL 118 N -2.62 0.07 -0.25 2.27 1.01 -1.19 -2.17 120.40 117.52 1nks s VAL 118 Ca -0.08 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1nks s VAL 118 Cb 0.05 -0.31 0.06 0.00 0.00 0.00 0.00 36.38 36.18 1nks s VAL 118 CO 0.91 -0.30 -0.11 -0.63 0.00 0.00 0.00 175.10 174.97 1nks s ILE 119 N -1.00 2.08 0.08 2.22 1.01 -0.33 -0.66 121.20 124.61 1nks s ILE 119 Ca -0.11 -1.51 -0.19 0.00 0.00 0.00 0.00 60.65 58.84 1nks s ILE 119 Cb -0.06 -2.17 -0.07 0.00 0.01 0.00 0.00 42.46 40.17 1nks s ILE 119 CO 0.01 0.03 0.57 -0.36 0.00 0.00 0.00 174.94 175.18 1nks s PHE 120 N 1.16 3.79 -0.34 3.97 0.08 0.24 -2.06 117.98 124.82 1nks s PHE 120 Ca -0.07 1.26 0.00 0.00 0.12 0.00 0.00 56.93 58.24 1nks s PHE 120 Cb -0.19 -2.49 0.09 0.00 -0.57 0.00 0.00 43.02 39.86 1nks s PHE 120 CO -0.06 0.57 0.07 -0.51 -0.10 0.00 0.00 175.22 175.19 1nks s LEU 121 N -1.19 4.58 -0.16 -0.37 1.43 0.24 -1.60 118.68 121.61 1nks s LEU 121 Ca 0.30 -1.84 -0.29 0.00 -1.03 0.00 0.00 54.13 51.27 1nks s LEU 121 Cb -0.19 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 1nks s LEU 121 CO 0.19 -0.38 1.13 -0.22 0.23 0.00 0.00 176.35 177.30 1nks s LEU 122 N 1.08 4.18 0.11 1.79 2.96 -0.21 -0.13 118.68 128.46 1nks s LEU 122 Ca 0.04 1.58 0.06 0.00 -0.22 0.00 0.00 54.13 55.58 1nks s LEU 122 Cb -0.20 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 1nks s LEU 122 CO -0.05 -0.65 -0.14 -1.61 -1.32 0.00 0.00 176.35 172.58 1nks s GLU 123 N 2.94 0.98 0.03 1.98 2.02 0.50 -4.15 118.70 123.01 1nks s GLU 123 Ca 0.50 -1.20 -0.04 0.00 0.02 0.00 0.00 54.97 54.25 1nks s GLU 123 Cb -0.19 -0.86 -0.01 0.00 0.10 0.00 0.00 34.13 33.17 1nks s GLU 123 CO 0.13 0.16 0.06 0.00 0.02 0.00 0.00 175.26 175.64 1nks s ALA 124 N -2.07 -0.01 -0.02 5.21 0.00 -1.26 0.49 121.76 124.10 1nks s ALA 124 Ca 0.07 -0.55 -0.37 0.00 0.00 0.00 0.00 51.96 51.11 1nks s ALA 124 Cb -0.05 0.20 -0.16 0.00 0.00 0.00 0.00 23.12 23.11 1nks s ALA 124 CO 0.03 -0.26 1.50 -3.47 0.00 0.00 0.00 175.76 173.55 1nks n ASP 125 N 1.04 2.06 0.21 0.00 -0.08 -1.26 -4.81 116.55 113.70 1nks n ASP 125 Ca -0.20 1.10 0.11 0.00 -1.51 0.00 0.00 54.79 54.28 1nks n ASP 125 Cb 0.57 -1.20 0.60 0.00 2.34 0.00 0.00 41.12 43.43 1nks n ASP 125 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1nks h PRO 126 N 5.65 0.00 0.29 -0.67 0.11 -1.97 -1.47 132.00 133.94 1nks h PRO 126 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1nks h PRO 126 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1nks h PRO 126 CO 0.85 0.00 -0.14 0.87 -0.21 0.00 0.00 178.00 179.37 1nks h LYS 127 N 0.00 -0.37 -0.97 1.05 6.56 -1.97 -3.28 116.57 117.58 1nks h LYS 127 Ca 0.00 0.03 0.31 0.00 -1.06 0.00 0.00 60.65 59.93 1nks h LYS 127 Cb 0.33 0.08 -0.15 0.00 -0.57 0.00 0.00 32.23 31.92 1nks h LYS 127 CO 0.00 -0.25 0.44 0.82 -2.06 0.00 0.00 179.45 178.40 1nks h ILE 128 N -0.78 0.24 0.00 1.86 2.04 -1.64 0.12 117.51 119.35 1nks h ILE 128 Ca -0.04 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1nks h ILE 128 Cb 0.30 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1nks h ILE 128 CO 0.07 0.04 -0.16 0.40 0.00 0.00 0.00 178.15 178.49 1nks h ILE 129 N 0.23 0.55 -0.00 -0.67 2.04 -1.62 -1.00 117.51 117.04 1nks h ILE 129 Ca 0.70 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1nks h ILE 129 Cb 1.58 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 1nks h ILE 129 CO -0.66 0.16 -0.22 0.18 0.00 0.00 0.00 178.15 177.61 1nks n LEU 130 N -3.52 0.53 -0.08 1.44 4.77 0.39 -3.07 117.00 117.45 1nks n LEU 130 Ca -0.01 0.02 0.11 0.00 -0.03 0.00 0.00 56.01 56.10 1nks n LEU 130 Cb 0.32 -0.23 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 1nks n LEU 130 CO 0.31 0.11 0.20 -0.24 -1.33 0.00 0.00 177.39 176.44 1nks n SER 131 N -1.10 0.97 -0.42 -1.43 2.88 -0.42 -3.99 113.62 110.12 1nks n SER 131 Ca 0.11 -0.82 0.04 0.00 -1.33 0.00 0.00 58.87 56.87 1nks n SER 131 Cb 0.32 0.64 0.08 0.00 -0.75 0.00 0.00 64.21 64.49 1nks n SER 131 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1nks n ARG 132 N -1.26 1.58 -0.07 -1.46 1.74 -0.97 -4.04 116.66 112.18 1nks n ARG 132 Ca 0.06 -1.48 -0.10 0.00 -0.77 0.00 0.00 57.85 55.56 1nks n ARG 132 Cb 0.35 -1.19 -0.15 0.00 -1.02 0.00 0.00 32.46 30.45 1nks n ARG 132 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1nks n GLN 133 N 0.38 0.67 -0.05 5.56 1.13 -1.18 -3.95 117.38 119.94 1nks n GLN 133 Ca 0.07 0.13 -0.04 0.00 -1.94 0.00 0.00 57.00 55.22 1nks n GLN 133 Cb 0.30 -1.63 -0.15 0.00 0.11 0.00 0.00 30.24 28.87 1nks n GLN 133 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1nks n LYS 134 N -2.91 0.67 0.08 -1.09 2.85 -1.26 -4.33 118.16 112.17 1nks n LYS 134 Ca -0.27 0.02 0.11 0.00 -1.05 0.00 0.00 58.31 57.12 1nks n LYS 134 Cb 1.11 -1.60 0.44 0.00 -0.65 0.00 0.00 35.03 34.33 1nks n LYS 134 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1nks n ARG 135 N -2.70 0.13 -3.53 -1.58 0.00 -1.26 -4.42 116.66 103.30 1nks n ARG 135 Ca -0.21 0.32 -0.29 0.00 -0.00 0.00 0.00 57.85 57.66 1nks n ARG 135 Cb 0.97 -1.72 -0.14 0.00 0.00 0.00 0.00 32.46 31.56 1nks n ARG 135 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1nks s ASP 136 N -3.81 3.45 0.60 6.15 2.15 -1.25 -5.04 116.67 118.93 1nks s ASP 136 Ca 0.06 -1.45 0.27 0.00 0.43 0.00 0.00 52.55 51.87 1nks s ASP 136 Cb 0.10 -0.37 1.27 0.00 -0.30 0.00 0.00 42.92 43.63 1nks s ASP 136 CO 0.39 -0.42 1.68 0.74 -0.17 0.00 0.00 175.17 177.39 1nks h THR 137 N 6.18 0.20 -0.22 1.71 2.02 -1.86 -3.39 112.91 117.55 1nks h THR 137 Ca -0.16 0.00 -0.70 0.00 0.77 0.00 0.00 66.41 66.33 1nks h THR 137 Cb 1.00 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1nks h THR 137 CO 0.41 0.00 3.37 0.35 0.37 0.00 0.00 175.52 180.02 1nks n THR 138 N -3.45 4.19 0.00 3.16 -2.24 -1.26 0.67 114.28 115.34 1nks n THR 138 Ca 0.12 -3.02 0.00 0.00 -2.27 0.00 0.00 64.05 58.88 1nks n THR 138 Cb 0.93 -2.54 0.00 0.00 -2.10 0.00 0.00 70.33 66.63 1nks n THR 138 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nks n ARG 139 N 4.10 0.00 -1.53 -0.78 5.12 -1.26 -4.91 116.66 117.40 1nks n ARG 139 Ca 0.67 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 56.51 1nks n ARG 139 Cb 0.29 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.59 1nks n ARG 139 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1nks n ASN 140 N 0.64 -1.40 -4.55 0.55 2.85 0.21 -4.85 115.26 108.72 1nks n ASN 140 Ca 0.00 -0.01 -0.42 0.00 -0.11 0.00 0.00 54.58 54.04 1nks n ASN 140 Cb 0.00 -0.39 -0.07 0.00 1.24 0.00 0.00 39.78 40.56 1nks n ASN 140 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1nks s ARG 141 N -0.53 3.56 -1.48 1.20 3.00 -1.26 -4.97 118.95 118.47 1nks s ARG 141 Ca 0.08 -0.15 -0.11 0.00 0.00 0.00 0.00 55.73 55.54 1nks s ARG 141 Cb -0.01 -3.84 0.02 0.00 0.00 0.00 0.00 34.95 31.12 1nks s ARG 141 CO 0.17 -0.75 2.45 0.27 0.00 0.00 0.00 175.30 177.45 1nks n ASN 142 N 5.92 6.14 -0.08 0.23 6.94 -1.26 -4.34 115.26 128.82 1nks n ASN 142 Ca -0.03 -2.82 -0.20 0.00 -0.02 0.00 0.00 54.58 51.52 1nks n ASN 142 Cb 0.49 -1.57 -0.13 0.00 -2.36 0.00 0.00 39.78 36.21 1nks n ASN 142 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1nks n ASP 143 N 4.49 2.04 -4.59 0.53 2.03 -1.26 -4.84 116.55 114.95 1nks n ASP 143 Ca 0.61 0.01 -0.42 0.00 0.52 0.00 0.00 54.79 55.51 1nks n ASP 143 Cb 0.32 -0.60 -0.03 0.00 -0.72 0.00 0.00 41.12 40.09 1nks n ASP 143 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1nks s TYR 144 N -2.53 1.95 0.00 -0.67 2.02 -1.26 -4.95 117.35 111.91 1nks s TYR 144 Ca -0.30 0.66 0.00 0.00 -0.37 0.00 0.00 57.07 57.06 1nks s TYR 144 Cb 0.08 -4.19 0.00 0.00 -0.40 0.00 0.00 41.96 37.45 1nks s TYR 144 CO 0.67 -2.50 0.00 0.43 -1.57 0.00 0.00 175.55 172.58 1nks n SER 145 N 10.45 0.00 -3.41 2.29 7.64 -1.26 -4.97 113.62 124.35 1nks n SER 145 Ca 0.20 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.86 1nks n SER 145 Cb 0.48 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.84 1nks n SER 145 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1nks n ASP 146 N 0.00 0.08 0.10 6.43 5.75 -1.26 -4.94 116.55 122.71 1nks n ASP 146 Ca 0.00 -1.36 0.12 0.00 -0.01 0.00 0.00 54.79 53.54 1nks n ASP 146 Cb 0.00 -0.75 0.45 0.00 -1.03 0.00 0.00 41.12 39.79 1nks n ASP 146 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1nks n GLU 147 N -3.09 0.20 0.14 0.11 0.28 -1.26 -2.92 120.64 114.10 1nks n GLU 147 Ca 0.12 0.29 0.03 0.00 -0.16 0.00 0.00 57.16 57.45 1nks n GLU 147 Cb 0.43 -1.80 0.42 0.00 1.43 0.00 0.00 31.44 31.92 1nks n GLU 147 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1nks h SER 148 N 0.00 0.18 1.55 -1.84 4.64 -1.97 0.20 113.55 116.30 1nks h SER 148 Ca 0.00 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 1nks h SER 148 Cb 0.54 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1nks h SER 148 CO 0.00 0.33 -0.46 0.58 -0.87 0.00 0.00 176.83 176.41 1nks h VAL 149 N 0.18 0.71 0.00 0.95 2.07 -1.90 -2.80 116.25 115.47 1nks h VAL 149 Ca 0.04 -2.01 -0.17 0.00 0.82 0.00 0.00 66.70 65.38 1nks h VAL 149 Cb 0.34 2.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1nks h VAL 149 CO 0.02 0.40 -0.80 0.40 0.02 0.00 0.00 177.57 177.61 1nks h ILE 150 N 0.00 1.55 -0.24 4.57 2.04 -1.44 -2.67 117.51 121.32 1nks h ILE 150 Ca -0.01 -2.78 -0.08 0.00 1.00 0.00 0.00 64.86 62.99 1nks h ILE 150 Cb 1.33 2.51 -0.01 0.00 -0.74 0.00 0.00 36.82 39.91 1nks h ILE 150 CO 0.05 0.79 -0.14 -0.07 0.00 0.00 0.00 178.15 178.78 1nks h LEU 151 N 0.00 0.54 -1.48 1.44 -0.00 -0.88 -2.47 115.31 112.46 1nks h LEU 151 Ca -0.01 -0.43 0.04 0.00 -0.00 0.00 0.00 57.88 57.48 1nks h LEU 151 Cb 1.45 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 41.92 1nks h LEU 151 CO 0.10 0.85 0.39 -0.08 -0.00 0.00 0.00 178.44 179.71 1nks h GLU 152 N 0.23 0.65 0.04 1.13 4.81 -1.51 -2.22 114.58 117.70 1nks h GLU 152 Ca 0.05 -0.04 -0.28 0.00 -0.13 0.00 0.00 59.36 58.97 1nks h GLU 152 Cb 0.66 -0.15 0.02 0.00 0.63 0.00 0.00 28.75 29.92 1nks h GLU 152 CO 0.04 0.43 -1.10 1.15 -0.73 0.00 0.00 179.01 178.80 1nks h THR 153 N 0.67 1.28 -0.18 0.32 2.02 -1.35 -2.23 112.91 113.44 1nks h THR 153 Ca 0.24 -2.30 0.04 0.00 0.77 0.00 0.00 66.41 65.15 1nks h THR 153 Cb 0.11 2.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.97 1nks h THR 153 CO -0.06 0.71 -0.04 0.40 0.37 0.00 0.00 175.52 176.89 1nks h ILE 154 N 0.35 0.83 0.28 3.11 1.08 -1.18 -1.03 117.51 120.95 1nks h ILE 154 Ca -0.15 -0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.31 1nks h ILE 154 Cb 1.76 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 36.33 1nks h ILE 154 CO 0.21 0.00 -0.13 0.78 -0.69 0.00 0.00 178.15 178.32 1nks h ASN 155 N 0.01 -0.32 -0.20 1.72 2.35 -1.45 -1.40 115.58 116.28 1nks h ASN 155 Ca 0.09 -0.09 0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1nks h ASN 155 Cb 0.13 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1nks h ASN 155 CO -0.18 -0.10 0.14 -0.26 -1.65 0.00 0.00 177.43 175.38 1nks h PHE 156 N -0.52 0.03 -0.25 1.19 0.04 -1.30 0.38 116.94 116.52 1nks h PHE 156 Ca -0.04 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.60 1nks h PHE 156 Cb 0.39 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 1nks h PHE 156 CO -0.02 0.02 -0.40 0.00 -0.60 0.00 0.00 178.31 177.31 1nks h ALA 157 N 1.90 0.84 -0.38 2.45 0.00 -0.78 -0.10 119.26 123.19 1nks h ALA 157 Ca 0.09 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1nks h ALA 157 Cb 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1nks h ALA 157 CO -0.00 0.64 -0.01 0.00 0.00 0.00 0.00 179.25 179.88 1nks h ARG 158 N 0.48 0.67 -0.38 0.00 3.08 0.70 0.81 114.38 119.74 1nks h ARG 158 Ca 0.04 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.81 1nks h ARG 158 Cb 0.90 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1nks h ARG 158 CO 0.08 0.77 -0.02 1.88 -1.07 0.00 0.00 179.97 181.61 1nks h TYR 159 N 0.49 0.75 -0.20 3.04 0.05 -0.45 -1.95 116.97 118.69 1nks h TYR 159 Ca 0.11 -0.14 -0.20 0.00 0.05 0.00 0.00 58.73 58.55 1nks h TYR 159 Cb 0.47 -0.19 0.01 0.00 1.01 0.00 0.00 36.73 38.03 1nks h TYR 159 CO 0.04 0.78 -0.66 0.00 -1.05 0.00 0.00 178.16 177.27 1nks h ALA 160 N 0.86 0.35 -0.84 3.88 0.00 -0.90 -1.53 119.26 121.09 1nks h ALA 160 Ca 0.10 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1nks h ALA 160 Cb 0.50 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1nks h ALA 160 CO 0.02 0.64 0.52 0.00 0.00 0.00 0.00 179.25 180.43 1nks h ALA 161 N 0.59 1.34 -0.22 0.00 0.00 -0.82 0.31 119.26 120.46 1nks h ALA 161 Ca -0.03 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 1nks h ALA 161 Cb 1.28 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1nks h ALA 161 CO 0.14 0.58 -0.65 1.15 0.00 0.00 0.00 179.25 180.47 1nks h THR 162 N 1.15 1.28 -0.71 0.00 2.02 -1.27 -0.26 112.91 115.13 1nks h THR 162 Ca 0.30 -1.86 -0.03 0.00 0.77 0.00 0.00 66.41 65.59 1nks h THR 162 Cb -0.07 1.80 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 1nks h THR 162 CO -0.06 0.59 0.32 0.00 0.37 0.00 0.00 175.52 176.74 1nks h ALA 163 N 0.68 0.91 -0.47 6.16 0.00 -0.94 -0.50 119.26 125.11 1nks h ALA 163 Ca -0.02 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1nks h ALA 163 Cb 1.26 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1nks h ALA 163 CO 0.14 0.50 -0.02 0.77 0.00 0.00 0.00 179.25 180.64 1nks h SER 164 N 0.99 0.75 0.03 0.00 0.02 -0.73 -2.21 113.55 112.42 1nks h SER 164 Ca 0.24 -0.19 -0.13 0.00 -0.84 0.00 0.00 61.79 60.87 1nks h SER 164 Cb 0.16 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1nks h SER 164 CO -0.03 0.83 -0.42 0.00 -1.14 0.00 0.00 176.83 176.08 1nks h ALA 165 N 1.25 0.90 -0.74 3.77 0.00 -0.38 -2.46 119.26 121.60 1nks h ALA 165 Ca 0.14 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1nks h ALA 165 Cb 0.47 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1nks h ALA 165 CO 0.02 0.64 0.40 0.28 0.00 0.00 0.00 179.25 180.59 1nks h VAL 166 N 0.40 1.22 -0.20 0.00 2.07 -0.73 0.38 116.25 119.39 1nks h VAL 166 Ca 0.03 -0.57 -0.18 0.00 0.82 0.00 0.00 66.70 66.81 1nks h VAL 166 Cb 0.90 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1nks h VAL 166 CO 0.08 0.25 -0.59 -0.07 0.02 0.00 0.00 177.57 177.26 1nks h LEU 167 N 1.04 0.73 0.00 2.57 3.38 -1.15 -3.34 115.31 118.54 1nks h LEU 167 Ca 0.26 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1nks h LEU 167 Cb 0.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1nks h LEU 167 CO -0.04 1.15 -1.41 0.00 0.09 0.00 0.00 178.44 178.23 1nks n ALA 168 N -2.54 3.55 -2.22 1.53 0.00 -0.95 -4.91 120.51 114.97 1nks n ALA 168 Ca -0.04 -0.50 -0.01 0.00 0.00 0.00 0.00 53.44 52.88 1nks n ALA 168 Cb 0.63 -0.82 0.01 0.00 0.00 0.00 0.00 19.45 19.27 1nks n ALA 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nks n GLY 169 N 1.36 0.49 3.47 0.00 0.00 0.13 -4.92 105.19 105.72 1nks n GLY 169 Ca 0.00 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 1nks n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nks s SER 170 N -3.08 3.43 0.71 1.61 1.04 -0.99 -4.96 113.70 111.46 1nks s SER 170 Ca 0.01 -1.08 -0.10 0.00 0.48 0.00 0.00 55.95 55.26 1nks s SER 170 Cb -0.00 -0.28 0.04 0.00 0.10 0.00 0.00 66.02 65.87 1nks s SER 170 CO 0.05 -0.08 1.07 0.42 0.98 0.00 0.00 173.24 175.69 1nks s THR 171 N -2.63 2.99 -0.11 2.02 -4.23 -0.92 -4.67 115.64 108.09 1nks s THR 171 Ca 0.30 0.18 0.02 0.00 -1.18 0.00 0.00 61.69 61.00 1nks s THR 171 Cb -0.02 -3.29 0.02 0.00 1.34 0.00 0.00 72.50 70.54 1nks s THR 171 CO 0.14 -0.36 -0.15 0.68 -0.54 0.00 0.00 174.62 174.39 1nks s VAL 172 N -3.33 1.49 -0.13 2.29 -7.23 -1.26 -1.19 120.40 111.03 1nks s VAL 172 Ca 0.59 -0.63 0.01 0.00 -1.81 0.00 0.00 61.98 60.13 1nks s VAL 172 Cb -0.11 -1.37 0.02 0.00 0.56 0.00 0.00 36.38 35.48 1nks s VAL 172 CO 0.49 0.44 -0.14 -0.75 -0.31 0.00 0.00 175.10 174.83 1nks s LYS 173 N 1.02 2.23 0.05 4.82 2.36 -0.87 -4.96 119.74 124.39 1nks s LYS 173 Ca -0.06 -0.54 -0.30 0.00 -2.55 0.00 0.00 55.97 52.52 1nks s LYS 173 Cb -0.15 -2.01 -0.04 0.00 -1.05 0.00 0.00 37.83 34.58 1nks s LYS 173 CO -0.02 -0.18 1.00 0.08 1.55 0.00 0.00 175.35 177.78 1nks s VAL 174 N 1.34 4.63 -0.13 4.02 1.01 -1.26 -0.59 120.40 129.42 1nks s VAL 174 Ca 0.01 1.98 -0.00 0.00 0.00 0.00 0.00 61.98 63.98 1nks s VAL 174 Cb -0.13 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.00 1nks s VAL 174 CO -0.08 0.21 -0.10 -0.63 0.00 0.00 0.00 175.10 174.50 1nks s ILE 175 N 0.66 1.29 -0.17 2.22 -1.09 0.82 -4.87 121.20 120.05 1nks s ILE 175 Ca 0.51 -0.47 -0.23 0.00 -2.23 0.00 0.00 60.65 58.23 1nks s ILE 175 Cb -0.23 -1.26 -0.02 0.00 -1.58 0.00 0.00 42.46 39.36 1nks s ILE 175 CO 0.29 0.39 0.70 -0.69 -1.23 0.00 0.00 174.94 174.41 1nks s VAL 176 N 1.60 4.98 -0.47 2.92 1.01 -1.26 0.19 120.40 129.38 1nks s VAL 176 Ca 0.05 1.36 -0.17 0.00 0.00 0.00 0.00 61.98 63.22 1nks s VAL 176 Cb -0.13 -4.02 0.05 0.00 0.00 0.00 0.00 36.38 32.28 1nks s VAL 176 CO -0.09 0.11 0.50 0.21 0.00 0.00 0.00 175.10 175.83 1nks s ASN 177 N 1.11 6.19 -0.20 3.32 2.47 0.18 -4.25 114.94 123.76 1nks s ASN 177 Ca 0.33 -0.94 -0.29 0.00 0.42 0.00 0.00 52.86 52.37 1nks s ASN 177 Cb -0.16 -2.24 -0.02 0.00 -1.45 0.00 0.00 41.25 37.38 1nks s ASN 177 CO 0.12 -0.72 1.36 -0.69 -3.72 0.00 0.00 177.10 173.46 1nks s VAL 178 N 2.19 4.09 0.16 -5.21 1.01 -1.26 -4.71 120.40 116.67 1nks s VAL 178 Ca 0.11 1.28 -0.00 0.00 0.00 0.00 0.00 61.98 63.37 1nks s VAL 178 Cb -0.20 -3.94 0.23 0.00 0.00 0.00 0.00 36.38 32.47 1nks s VAL 178 CO 0.11 -0.24 0.84 -0.62 0.00 0.00 0.00 175.10 175.19 1nks n GLU 179 N 6.99 -0.04 0.00 2.72 -0.58 -1.26 -3.17 120.64 125.30 1nks n GLU 179 Ca 0.15 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.71 1nks n GLU 179 Cb 0.45 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 1nks n GLU 179 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nks n GLY 180 N -1.29 -1.51 3.69 0.62 0.00 -1.26 -4.89 105.19 100.55 1nks n GLY 180 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1nks n GLY 180 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nks s ASP 181 N -1.80 7.24 0.00 1.61 -1.08 -1.19 -4.98 116.67 116.47 1nks s ASP 181 Ca 0.00 1.52 0.27 0.00 -0.52 0.00 0.00 52.55 53.82 1nks s ASP 181 Cb 0.00 -2.55 0.90 0.00 -1.46 0.00 0.00 42.92 39.81 1nks s ASP 181 CO 0.00 -0.43 1.67 -0.81 0.52 0.00 0.00 175.17 176.11 1nks n PRO 182 N 4.95 0.36 0.16 4.34 -0.05 -1.26 -3.84 135.00 139.66 1nks n PRO 182 Ca 0.08 -0.16 0.13 0.00 -0.05 0.00 0.00 63.50 63.50 1nks n PRO 182 Cb 0.49 -1.50 0.54 0.00 -0.05 0.00 0.00 33.50 32.98 1nks n PRO 182 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 175.50 176.48 1nks h SER 183 N 0.40 0.00 0.29 3.54 0.87 -1.94 -2.69 113.55 114.02 1nks h SER 183 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1nks h SER 183 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1nks h SER 183 CO 0.00 0.00 -0.14 0.40 -0.53 0.00 0.00 176.83 176.56 1nks h ILE 184 N 0.00 0.00 -0.46 2.23 2.04 -1.95 -1.97 117.51 117.40 1nks h ILE 184 Ca 0.00 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.20 1nks h ILE 184 Cb 0.38 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 1nks h ILE 184 CO 0.00 0.00 0.28 0.00 0.00 0.00 0.00 178.15 178.43 1nks h ALA 185 N -1.14 0.59 -0.56 1.87 0.00 -1.73 -2.45 119.26 115.84 1nks h ALA 185 Ca -0.04 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1nks h ALA 185 Cb 0.30 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1nks h ALA 185 CO 0.06 -0.02 0.29 0.00 0.00 0.00 0.00 179.25 179.58 1nks h ALA 186 N 1.20 0.72 -0.04 0.00 0.00 -1.56 0.40 119.26 119.98 1nks h ALA 186 Ca 0.18 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1nks h ALA 186 Cb -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1nks h ALA 186 CO -0.07 -0.05 -0.59 -0.91 0.00 0.00 0.00 179.25 177.62 1nks h ASN 187 N 0.55 0.15 -0.40 0.00 2.35 -1.26 -0.22 115.58 116.75 1nks h ASN 187 Ca 0.25 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 1nks h ASN 187 Cb 0.15 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1nks h ASN 187 CO -0.17 0.70 0.04 -0.08 -1.65 0.00 0.00 177.43 176.27 1nks h GLU 188 N 0.10 0.69 -0.47 0.81 4.57 -0.92 0.54 114.58 119.90 1nks h GLU 188 Ca -0.00 -0.20 -0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1nks h GLU 188 Cb 1.06 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.56 1nks h GLU 188 CO 0.08 0.75 0.29 0.82 -1.18 0.00 0.00 179.01 179.78 1nks h ILE 189 N 0.53 1.14 -0.65 2.32 2.04 -0.72 -1.16 117.51 121.01 1nks h ILE 189 Ca 0.12 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1nks h ILE 189 Cb 0.42 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1nks h ILE 189 CO 0.01 0.14 0.28 0.40 0.00 0.00 0.00 178.15 178.99 1nks h ILE 190 N 0.62 1.23 -0.69 -0.67 2.04 -0.49 -2.56 117.51 116.99 1nks h ILE 190 Ca 0.17 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.37 1nks h ILE 190 Cb -0.03 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 1nks h ILE 190 CO -0.03 0.28 0.42 -0.09 0.00 0.00 0.00 178.15 178.72 1nks h ARG 191 N 0.91 0.78 0.00 2.37 2.43 -0.65 -2.73 114.38 117.48 1nks h ARG 191 Ca 0.22 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1nks h ARG 191 Cb 0.17 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1nks h ARG 191 CO -0.02 0.51 -0.14 0.77 -1.51 0.00 0.00 179.97 179.59 1nks h SER 192 N 0.80 0.00 1.09 -3.80 0.02 -0.79 -2.49 113.55 108.39 1nks h SER 192 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1nks h SER 192 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1nks h SER 192 CO -0.13 0.14 0.00 0.23 -1.14 0.00 0.00 176.83 175.92 1nks n MET 193 N -4.14 0.14 0.00 3.45 2.81 -1.03 -5.05 117.12 113.29 1nks n MET 193 Ca -0.02 0.18 0.11 0.00 -1.81 0.00 0.00 57.70 56.16 1nks n MET 193 Cb 0.21 -1.68 0.68 0.00 -0.71 0.00 0.00 33.22 31.72 1nks n MET 193 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11