#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nk1 n ILE 39 N 0.00 0.44 0.19 1.09 3.06 -1.26 -2.94 119.36 119.94 1nk1 n ILE 39 Ca 0.00 0.11 0.11 0.00 -2.50 0.00 0.00 62.75 60.47 1nk1 n ILE 39 Cb 0.00 -0.77 0.13 0.00 0.54 0.00 0.00 39.64 39.54 1nk1 n ILE 39 CO 0.00 0.00 0.00 1.12 -2.50 0.00 0.00 176.55 175.17 1nk1 h HIS 40 N 0.00 0.00 -0.54 9.51 2.07 -2.01 -3.30 115.15 120.88 1nk1 h HIS 40 Ca 0.00 0.00 -0.32 0.00 -2.85 0.00 0.00 60.37 57.20 1nk1 h HIS 40 Cb 0.23 0.00 -0.16 0.00 2.57 0.00 0.00 27.41 30.05 1nk1 h HIS 40 CO 0.00 0.02 0.42 -0.85 -3.07 0.00 0.00 177.93 174.45 1nk1 n GLU 41 N -3.01 1.80 -4.23 5.12 0.28 -1.15 -4.82 120.64 114.63 1nk1 n GLU 41 Ca 0.03 -1.69 -0.17 0.00 -0.16 0.00 0.00 57.16 55.17 1nk1 n GLU 41 Cb 0.54 -1.66 -0.14 0.00 1.43 0.00 0.00 31.44 31.61 1nk1 n GLU 41 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1nk1 s PHE 42 N -1.92 0.71 -0.33 -1.84 0.40 -1.25 -3.89 117.98 109.86 1nk1 s PHE 42 Ca 0.33 -0.22 -0.27 0.00 -0.60 0.00 0.00 56.93 56.16 1nk1 s PHE 42 Cb 0.27 -0.44 0.01 0.00 0.51 0.00 0.00 43.02 43.37 1nk1 s PHE 42 CO 0.02 -0.02 0.98 0.21 0.70 0.00 0.00 175.22 177.12 1nk1 s LYS 43 N -0.57 3.98 -0.14 0.44 2.20 0.17 -4.78 119.74 121.05 1nk1 s LYS 43 Ca 0.00 0.84 -0.13 0.00 -0.36 0.00 0.00 55.97 56.32 1nk1 s LYS 43 Cb -0.05 -3.75 -0.05 0.00 -1.51 0.00 0.00 37.83 32.47 1nk1 s LYS 43 CO 0.00 -0.88 0.29 0.21 -0.36 0.00 0.00 175.35 174.61 1nk1 s LYS 44 N 3.49 4.13 -0.28 4.03 2.20 -1.26 -1.40 119.74 130.65 1nk1 s LYS 44 Ca 0.41 0.11 0.01 0.00 -0.36 0.00 0.00 55.97 56.14 1nk1 s LYS 44 Cb -0.12 -3.38 0.08 0.00 -1.51 0.00 0.00 37.83 32.90 1nk1 s LYS 44 CO 0.16 0.35 0.02 -1.12 -0.36 0.00 0.00 175.35 174.40 1nk1 s SER 45 N 0.12 4.03 0.86 1.43 0.01 0.16 -5.00 113.70 115.31 1nk1 s SER 45 Ca 0.17 -1.50 -0.11 0.00 1.31 0.00 0.00 55.95 55.82 1nk1 s SER 45 Cb -0.13 -1.13 0.12 0.00 0.21 0.00 0.00 66.02 65.08 1nk1 s SER 45 CO 0.05 -0.33 1.17 0.00 0.41 0.00 0.00 173.24 174.55 1nk1 s ALA 46 N 1.39 1.65 -1.60 1.44 0.00 -1.26 -1.48 121.76 121.90 1nk1 s ALA 46 Ca 0.03 0.70 -0.11 0.00 0.00 0.00 0.00 51.96 52.58 1nk1 s ALA 46 Cb -0.18 -3.47 0.10 0.00 0.00 0.00 0.00 23.12 19.57 1nk1 s ALA 46 CO -0.13 -2.54 0.57 1.63 0.00 0.00 0.00 175.76 175.30 1nk1 n LYS 47 N -3.80 -2.83 -4.04 0.00 5.02 0.58 -4.81 118.16 108.28 1nk1 n LYS 47 Ca 0.13 0.34 -0.08 0.00 -2.02 0.00 0.00 58.31 56.67 1nk1 n LYS 47 Cb 0.51 -4.73 -0.10 0.00 -0.02 0.00 0.00 35.03 30.69 1nk1 n LYS 47 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1nk1 s THR 48 N -3.62 0.17 0.26 -0.18 2.01 -1.13 -2.47 115.64 110.68 1nk1 s THR 48 Ca 0.43 -1.41 -0.18 0.00 0.31 0.00 0.00 61.69 60.84 1nk1 s THR 48 Cb -0.24 -0.98 0.01 0.00 0.01 0.00 0.00 72.50 71.30 1nk1 s THR 48 CO 0.93 -0.78 0.64 0.28 -0.69 0.00 0.00 174.62 175.00 1nk1 s THR 49 N -2.87 0.00 0.22 -0.82 -1.32 -0.95 -2.95 115.64 106.94 1nk1 s THR 49 Ca -0.03 -1.09 0.11 0.00 -1.21 0.00 0.00 61.69 59.47 1nk1 s THR 49 Cb 0.00 -2.02 -0.05 0.00 -1.51 0.00 0.00 72.50 68.93 1nk1 s THR 49 CO -0.06 -0.01 -0.21 -0.76 -2.21 0.00 0.00 174.62 171.37 1nk1 s LEU 50 N -2.94 2.53 0.01 9.08 1.43 -1.26 0.03 118.68 127.55 1nk1 s LEU 50 Ca 0.14 -0.89 0.04 0.00 -1.03 0.00 0.00 54.13 52.39 1nk1 s LEU 50 Cb -0.04 -1.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 1nk1 s LEU 50 CO 0.07 0.09 -0.12 -0.63 0.23 0.00 0.00 176.35 176.00 1nk1 s ILE 51 N -1.92 0.92 0.70 -0.59 1.01 0.24 -4.85 121.20 116.71 1nk1 s ILE 51 Ca 0.24 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 1nk1 s ILE 51 Cb -0.07 -0.80 0.12 0.00 0.01 0.00 0.00 42.46 41.72 1nk1 s ILE 51 CO 0.12 0.15 0.97 -0.54 0.00 0.00 0.00 174.94 175.64 1nk1 s LYS 52 N -0.57 1.77 0.12 2.79 1.02 -1.26 -1.30 119.74 122.32 1nk1 s LYS 52 Ca 0.03 -1.07 0.00 0.00 0.02 0.00 0.00 55.97 54.94 1nk1 s LYS 52 Cb -0.06 -2.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.91 1nk1 s LYS 52 CO 0.00 -1.37 0.00 -0.89 -0.92 0.00 0.00 175.35 172.17 1nk1 n ILE 53 N -2.78 0.00 -2.59 2.17 5.41 -1.01 -4.87 119.36 115.68 1nk1 n ILE 53 Ca 0.14 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.48 1nk1 n ILE 53 Cb 0.60 -0.46 -0.03 0.00 -0.71 0.00 0.00 39.64 39.04 1nk1 n ILE 53 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1nk1 s ASP 54 N -4.79 6.29 0.26 4.38 1.01 -1.26 -4.89 116.67 117.67 1nk1 s ASP 54 Ca 0.00 -0.25 0.18 0.00 0.71 0.00 0.00 52.55 53.19 1nk1 s ASP 54 Cb 0.00 -2.54 0.91 0.00 1.01 0.00 0.00 42.92 42.30 1nk1 s ASP 54 CO 0.00 -1.64 0.99 -2.65 0.21 0.00 0.00 175.17 172.08 1nk1 n PRO 55 N 8.81 -0.03 -0.08 8.23 -0.01 -1.26 0.88 135.00 151.54 1nk1 n PRO 55 Ca 0.05 0.82 -0.07 0.00 -0.01 0.00 0.00 63.50 64.30 1nk1 n PRO 55 Cb 0.49 -1.57 -0.01 0.00 -0.01 0.00 0.00 33.50 32.41 1nk1 n PRO 55 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1nk1 h ALA 56 N 1.10 0.19 -1.43 3.55 0.00 -2.05 -3.40 119.26 117.22 1nk1 h ALA 56 Ca 0.55 0.12 -0.66 0.00 0.00 0.00 0.00 54.91 54.92 1nk1 h ALA 56 Cb 1.66 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 1nk1 h ALA 56 CO -0.37 -0.47 1.30 -0.11 0.00 0.00 0.00 179.25 179.60 1nk1 n LEU 57 N -5.26 2.56 -4.85 0.00 7.94 0.25 -4.93 117.00 112.71 1nk1 n LEU 57 Ca -0.00 0.58 -0.31 0.00 -1.11 0.00 0.00 56.01 55.17 1nk1 n LEU 57 Cb 0.18 -1.30 -0.05 0.00 0.53 0.00 0.00 43.42 42.78 1nk1 n LEU 57 CO 0.19 -0.55 -0.20 -0.54 -1.11 0.00 0.00 177.39 175.18 1nk1 s LYS 58 N 5.48 3.21 0.46 1.96 -0.14 -1.26 -4.94 119.74 124.51 1nk1 s LYS 58 Ca 1.04 -0.52 0.04 0.00 -1.36 0.00 0.00 55.97 55.17 1nk1 s LYS 58 Cb -0.79 -2.92 -0.04 0.00 -1.68 0.00 0.00 37.83 32.40 1nk1 s LYS 58 CO 0.50 0.61 0.01 0.42 -0.76 0.00 0.00 175.35 176.13 1nk1 s ILE 59 N -1.41 1.56 -0.17 2.17 1.01 -1.26 -4.28 121.20 118.82 1nk1 s ILE 59 Ca 0.31 -1.99 -0.06 0.00 0.00 0.00 0.00 60.65 58.91 1nk1 s ILE 59 Cb -0.13 -2.55 0.08 0.00 0.01 0.00 0.00 42.46 39.88 1nk1 s ILE 59 CO 0.23 0.00 0.37 -0.75 0.00 0.00 0.00 174.94 174.79 1nk1 s LYS 60 N -3.81 0.26 0.41 2.79 2.47 -1.21 -5.05 119.74 115.60 1nk1 s LYS 60 Ca 0.20 0.93 0.06 0.00 -1.56 0.00 0.00 55.97 55.60 1nk1 s LYS 60 Cb 0.05 0.20 -0.07 0.00 -1.46 0.00 0.00 37.83 36.55 1nk1 s LYS 60 CO 0.10 -0.26 0.01 0.95 0.16 0.00 0.00 175.35 176.32 1nk1 s THR 61 N 2.52 1.86 -0.30 3.43 -4.23 -1.26 -2.10 115.64 115.56 1nk1 s THR 61 Ca -0.01 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.29 1nk1 s THR 61 Cb -0.12 -2.91 0.21 0.00 1.34 0.00 0.00 72.50 71.02 1nk1 s THR 61 CO -0.11 0.00 1.40 -0.75 -0.54 0.00 0.00 174.62 174.61 1nk1 s LYS 62 N -3.74 0.01 0.55 3.99 2.20 -1.03 -4.98 119.74 116.74 1nk1 s LYS 62 Ca 0.32 0.02 -0.20 0.00 -0.36 0.00 0.00 55.97 55.76 1nk1 s LYS 62 Cb 0.09 0.00 -0.05 0.00 -1.51 0.00 0.00 37.83 36.36 1nk1 s LYS 62 CO 0.16 -0.00 1.16 0.15 -0.36 0.00 0.00 175.35 176.47 1nk1 s LYS 63 N 0.47 3.27 0.32 4.03 1.02 -1.26 -0.67 119.74 126.91 1nk1 s LYS 63 Ca 0.01 1.71 -0.06 0.00 0.02 0.00 0.00 55.97 57.64 1nk1 s LYS 63 Cb -0.04 -2.02 0.03 0.00 -0.52 0.00 0.00 37.83 35.28 1nk1 s LYS 63 CO -0.13 -0.94 0.53 0.28 -0.92 0.00 0.00 175.35 174.17 1nk1 n VAL 64 N -1.31 0.00 -0.07 3.17 0.31 0.87 -4.84 118.33 116.47 1nk1 n VAL 64 Ca 0.12 -1.24 -0.06 0.00 -0.01 0.00 0.00 64.34 63.15 1nk1 n VAL 64 Cb 0.50 0.90 -0.02 0.00 -0.91 0.00 0.00 33.84 34.31 1nk1 n VAL 64 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1nk1 n ASN 65 N -1.59 1.53 -4.58 4.52 3.02 -1.26 -4.61 115.26 112.29 1nk1 n ASN 65 Ca -0.03 0.34 -0.25 0.00 -0.03 0.00 0.00 54.58 54.61 1nk1 n ASN 65 Cb 0.51 -0.72 -0.09 0.00 -0.61 0.00 0.00 39.78 38.87 1nk1 n ASN 65 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1nk1 s THR 66 N -2.40 3.17 0.41 3.41 -4.23 -1.26 -4.96 115.64 109.79 1nk1 s THR 66 Ca -0.20 -1.91 0.28 0.00 -1.18 0.00 0.00 61.69 58.68 1nk1 s THR 66 Cb 0.03 -2.64 0.30 0.00 1.34 0.00 0.00 72.50 71.53 1nk1 s THR 66 CO 0.30 -0.28 2.08 0.00 -0.54 0.00 0.00 174.62 176.18 1nk1 h ALA 67 N 2.35 1.26 -0.14 3.99 0.00 -1.97 -2.09 119.26 122.65 1nk1 h ALA 67 Ca -0.44 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.41 1nk1 h ALA 67 Cb 1.23 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1nk1 h ALA 67 CO 0.58 0.14 -0.12 -0.44 0.00 0.00 0.00 179.25 179.40 1nk1 h ASP 68 N 0.00 -0.40 -1.07 0.00 5.19 -2.00 -1.23 116.42 116.91 1nk1 h ASP 68 Ca -0.00 0.08 0.28 0.00 -0.62 0.00 0.00 57.03 56.77 1nk1 h ASP 68 Cb 0.33 0.20 -0.09 0.00 0.18 0.00 0.00 39.33 39.95 1nk1 h ASP 68 CO 0.01 -0.16 0.70 1.56 -3.12 0.00 0.00 179.24 178.23 1nk1 h GLN 69 N -0.14 0.30 -0.05 3.56 4.20 -1.79 0.23 115.11 121.42 1nk1 h GLN 69 Ca 0.09 -0.02 -0.21 0.00 0.06 0.00 0.00 58.65 58.58 1nk1 h GLN 69 Cb 0.28 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1nk1 h GLN 69 CO -0.23 0.20 -0.82 0.00 -0.67 0.00 0.00 178.83 177.30 1nk1 h ALA 71 N 0.81 0.10 0.04 0.00 0.00 -0.17 -1.48 119.26 118.57 1nk1 h ALA 71 Ca -0.05 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1nk1 h ALA 71 Cb 1.43 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1nk1 h ALA 71 CO 0.15 -0.35 -0.39 -0.97 0.00 0.00 0.00 179.25 177.68 1nk1 h ASN 72 N 0.03 -1.17 -0.60 0.00 -0.73 -1.54 0.24 115.58 111.81 1nk1 h ASN 72 Ca 0.03 0.14 0.06 0.00 1.87 0.00 0.00 56.30 58.40 1nk1 h ASN 72 Cb 0.09 0.45 -0.04 0.00 0.27 0.00 0.00 38.32 39.10 1nk1 h ASN 72 CO -0.00 -0.45 0.40 -0.09 -0.37 0.00 0.00 177.43 176.92 1nk1 h ARG 73 N -0.57 0.55 0.50 6.67 2.43 -1.58 0.16 114.38 122.55 1nk1 h ARG 73 Ca 0.04 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1nk1 h ARG 73 Cb 0.64 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1nk1 h ARG 73 CO -0.28 0.37 -0.24 0.00 -1.51 0.00 0.00 179.97 178.31 1nk1 h THR 75 N -1.07 0.31 0.00 0.00 2.02 -0.09 0.75 112.91 114.83 1nk1 h THR 75 Ca -0.07 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1nk1 h THR 75 Cb 0.59 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1nk1 h THR 75 CO 0.11 0.00 -0.01 0.03 0.37 0.00 0.00 175.52 176.03 1nk1 h ARG 76 N -0.17 0.00 -2.40 6.66 3.08 -0.73 -3.46 114.38 117.36 1nk1 h ARG 76 Ca 0.20 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.90 1nk1 h ARG 76 Cb 0.49 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.47 1nk1 h ARG 76 CO -0.54 0.01 -0.40 -1.71 -1.07 0.00 0.00 179.97 176.26 1nk1 n ASN 77 N -3.10 -4.92 -3.38 7.04 2.85 0.52 -4.94 115.26 109.33 1nk1 n ASN 77 Ca 0.00 0.22 -0.28 0.00 -0.11 0.00 0.00 54.58 54.42 1nk1 n ASN 77 Cb 0.30 -4.24 0.25 0.00 1.24 0.00 0.00 39.78 37.32 1nk1 n ASN 77 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1nk1 n LYS 78 N -2.60 -3.60 -0.87 1.20 2.85 -1.18 -4.13 118.16 109.82 1nk1 n LYS 78 Ca -0.19 -1.52 0.00 0.00 -1.05 0.00 0.00 58.31 55.54 1nk1 n LYS 78 Cb 0.62 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 33.40 1nk1 n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1nk1 n GLY 79 N -4.63 0.00 2.79 2.58 0.00 -1.26 -4.84 105.19 99.82 1nk1 n GLY 79 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 1nk1 n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nk1 s LEU 80 N -1.17 1.17 0.00 0.99 1.43 -1.26 -5.04 118.68 114.80 1nk1 s LEU 80 Ca 0.00 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1nk1 s LEU 80 Cb 0.00 -0.09 0.00 0.00 0.03 0.00 0.00 46.19 46.13 1nk1 s LEU 80 CO 0.00 -0.11 0.78 -0.81 0.23 0.00 0.00 176.35 176.43 1nk1 n PRO 81 N 4.08 0.86 -2.17 1.29 -0.05 -1.26 -4.84 135.00 132.90 1nk1 n PRO 81 Ca -0.26 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.19 1nk1 n PRO 81 Cb 0.51 -1.14 0.00 0.00 -0.05 0.00 0.00 33.50 32.83 1nk1 n PRO 81 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 175.50 177.42 1nk1 n PHE 82 N 0.48 -0.46 -3.25 0.54 1.16 -1.26 -5.13 117.46 109.53 1nk1 n PHE 82 Ca 0.00 -0.22 -0.40 0.00 -1.87 0.00 0.00 57.45 54.95 1nk1 n PHE 82 Cb 0.39 0.11 -0.08 0.00 -1.61 0.00 0.00 39.48 38.29 1nk1 n PHE 82 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1nk1 s THR 83 N -2.28 5.05 -0.71 1.97 2.01 -1.26 -5.02 115.64 115.40 1nk1 s THR 83 Ca 0.06 0.61 -0.27 0.00 0.31 0.00 0.00 61.69 62.41 1nk1 s THR 83 Cb -0.00 -3.88 0.02 0.00 0.01 0.00 0.00 72.50 68.65 1nk1 s THR 83 CO 0.01 -0.04 1.41 0.00 -0.69 0.00 0.00 174.62 175.30 1nk1 n LYS 85 N 9.31 2.12 -3.61 0.00 5.02 -0.87 -4.82 118.16 125.31 1nk1 n LYS 85 Ca 0.07 -1.94 -0.00 0.00 -2.02 0.00 0.00 58.31 54.41 1nk1 n LYS 85 Cb 0.50 -1.43 -0.01 0.00 -0.02 0.00 0.00 35.03 34.07 1nk1 n LYS 85 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nk1 s ALA 86 N -1.55 -2.31 -0.05 7.82 0.00 -1.17 -1.95 121.76 122.54 1nk1 s ALA 86 Ca 0.29 1.57 -0.29 0.00 0.00 0.00 0.00 51.96 53.52 1nk1 s ALA 86 Cb 0.19 -0.17 0.09 0.00 0.00 0.00 0.00 23.12 23.23 1nk1 s ALA 86 CO 0.27 -0.73 0.81 -0.59 0.00 0.00 0.00 175.76 175.52 1nk1 s PHE 87 N -2.04 -0.50 0.14 0.00 -0.12 -0.34 -0.48 117.98 114.65 1nk1 s PHE 87 Ca 0.13 0.71 0.11 0.00 -0.05 0.00 0.00 56.93 57.83 1nk1 s PHE 87 Cb 0.02 0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 1nk1 s PHE 87 CO -0.04 -0.54 -0.26 0.08 -0.05 0.00 0.00 175.22 174.41 1nk1 s VAL 88 N -1.80 2.29 -0.18 -2.49 1.01 -0.19 -0.46 120.40 118.59 1nk1 s VAL 88 Ca -0.04 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.13 1nk1 s VAL 88 Cb -0.00 -2.03 0.04 0.00 0.00 0.00 0.00 36.38 34.38 1nk1 s VAL 88 CO 0.01 0.05 -0.11 0.12 0.00 0.00 0.00 175.10 175.17 1nk1 s PHE 89 N -1.19 2.23 -0.71 5.22 5.36 -0.83 -0.91 117.98 127.15 1nk1 s PHE 89 Ca 0.15 -1.39 -0.26 0.00 -0.96 0.00 0.00 56.93 54.47 1nk1 s PHE 89 Cb -0.10 -1.57 0.04 0.00 -0.34 0.00 0.00 43.02 41.05 1nk1 s PHE 89 CO 0.07 -0.70 1.19 0.34 -1.46 0.00 0.00 175.22 174.66 1nk1 s ASP 90 N 1.46 6.18 0.54 6.13 -1.08 0.48 -2.85 116.67 127.54 1nk1 s ASP 90 Ca 0.01 -0.55 0.32 0.00 -0.52 0.00 0.00 52.55 51.81 1nk1 s ASP 90 Cb -0.15 -2.52 1.52 0.00 -1.46 0.00 0.00 42.92 40.30 1nk1 s ASP 90 CO -0.09 -1.71 2.06 0.11 0.52 0.00 0.00 175.17 176.06 1nk1 h LYS 91 N 9.87 0.00 0.07 4.34 1.57 -0.82 0.53 116.57 132.13 1nk1 h LYS 91 Ca -0.28 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1nk1 h LYS 91 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1nk1 h LYS 91 CO 1.25 0.08 -0.03 0.00 -0.57 0.00 0.00 179.45 180.17 1nk1 h ALA 92 N 1.92 -0.09 -0.45 3.86 0.00 -1.89 -3.33 119.26 119.28 1nk1 h ALA 92 Ca -0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1nk1 h ALA 92 Cb 0.39 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1nk1 h ALA 92 CO 0.01 -0.09 0.10 0.54 0.00 0.00 0.00 179.25 179.80 1nk1 n ARG 93 N -4.81 3.25 -3.56 0.00 1.74 -1.18 -4.92 116.66 107.19 1nk1 n ARG 93 Ca -0.04 -2.11 -0.20 0.00 -0.77 0.00 0.00 57.85 54.73 1nk1 n ARG 93 Cb 0.15 -1.97 -0.06 0.00 -1.02 0.00 0.00 32.46 29.55 1nk1 n ARG 93 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1nk1 n LYS 94 N 0.19 -0.94 -4.29 5.56 4.76 0.18 -4.80 118.16 118.83 1nk1 n LYS 94 Ca 0.24 0.06 -0.28 0.00 -2.87 0.00 0.00 58.31 55.45 1nk1 n LYS 94 Cb 0.98 -2.28 -0.10 0.00 -1.84 0.00 0.00 35.03 31.79 1nk1 n LYS 94 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1nk1 s GLN 95 N -5.50 1.95 -0.07 1.97 0.74 -0.74 -0.09 119.66 117.92 1nk1 s GLN 95 Ca 0.09 -1.19 -0.02 0.00 0.05 0.00 0.00 55.36 54.28 1nk1 s GLN 95 Cb -0.05 -2.16 -0.04 0.00 1.10 0.00 0.00 33.01 31.86 1nk1 s GLN 95 CO 0.61 0.47 0.03 0.00 -0.55 0.00 0.00 175.29 175.84 1nk1 s LEU 97 N -1.13 2.51 -0.09 0.00 1.43 -0.09 -2.45 118.68 118.85 1nk1 s LEU 97 Ca 0.16 -1.88 -0.23 0.00 -1.03 0.00 0.00 54.13 51.15 1nk1 s LEU 97 Cb -0.12 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 1nk1 s LEU 97 CO 0.05 -0.38 0.70 0.26 0.23 0.00 0.00 176.35 177.22 1nk1 s TRP 98 N 1.31 3.55 0.11 0.29 0.51 -0.89 -1.02 118.94 122.80 1nk1 s TRP 98 Ca 0.12 1.22 0.10 0.00 -2.12 0.00 0.00 56.10 55.42 1nk1 s TRP 98 Cb -0.19 -2.82 -0.04 0.00 -0.81 0.00 0.00 33.47 29.61 1nk1 s TRP 98 CO -0.18 0.04 -0.25 -0.06 -0.51 0.00 0.00 176.95 175.98 1nk1 s PHE 99 N 1.00 2.35 -0.54 -1.98 0.08 0.37 -3.31 117.98 115.95 1nk1 s PHE 99 Ca 0.37 -0.37 -0.02 0.00 0.12 0.00 0.00 56.93 57.03 1nk1 s PHE 99 Cb -0.17 -1.30 0.27 0.00 -0.57 0.00 0.00 43.02 41.25 1nk1 s PHE 99 CO 0.17 0.30 2.20 -0.35 -0.10 0.00 0.00 175.22 177.44 1nk1 n PRO 100 N 1.07 2.36 0.00 0.24 -0.04 -1.26 -2.04 135.00 135.33 1nk1 n PRO 100 Ca -0.17 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 60.72 1nk1 n PRO 100 Cb 0.53 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 1nk1 n PRO 100 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1nk1 n PHE 101 N -0.05 0.00 -4.21 0.54 1.16 -1.26 -4.83 117.46 108.81 1nk1 n PHE 101 Ca 0.48 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.97 1nk1 n PHE 101 Cb 0.54 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.39 1nk1 n PHE 101 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 1nk1 n ASN 102 N 0.00 2.24 0.13 5.98 0.23 -1.26 -4.07 115.26 118.52 1nk1 n ASN 102 Ca 0.00 -1.65 0.09 0.00 -0.53 0.00 0.00 54.58 52.49 1nk1 n ASN 102 Cb 0.00 0.13 0.49 0.00 -2.08 0.00 0.00 39.78 38.32 1nk1 n ASN 102 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1nk1 n SER 103 N -1.19 0.47 -0.89 0.53 3.41 -1.26 -1.04 113.62 113.64 1nk1 n SER 103 Ca -0.06 0.72 0.09 0.00 -0.26 0.00 0.00 58.87 59.36 1nk1 n SER 103 Cb 0.19 -0.78 0.18 0.00 -0.26 0.00 0.00 64.21 63.54 1nk1 n SER 103 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1nk1 n MET 104 N -2.13 2.36 -2.28 4.33 2.81 -1.26 -4.86 117.12 116.08 1nk1 n MET 104 Ca -0.01 -2.09 -0.41 0.00 -1.81 0.00 0.00 57.70 53.38 1nk1 n MET 104 Cb 0.03 -1.39 -0.03 0.00 -0.71 0.00 0.00 33.22 31.12 1nk1 n MET 104 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1nk1 s SER 105 N -1.13 7.00 0.10 7.83 0.01 -0.21 -4.96 113.70 122.34 1nk1 s SER 105 Ca 0.31 2.44 -0.31 0.00 1.31 0.00 0.00 55.95 59.70 1nk1 s SER 105 Cb 0.17 -2.63 -0.07 0.00 0.21 0.00 0.00 66.02 63.70 1nk1 s SER 105 CO 0.23 -0.39 1.31 -0.94 0.41 0.00 0.00 173.24 173.86 1nk1 s SER 106 N -0.35 6.94 0.00 2.44 1.04 -1.26 -3.00 113.70 119.50 1nk1 s SER 106 Ca 0.50 2.21 0.00 0.00 0.48 0.00 0.00 55.95 59.13 1nk1 s SER 106 Cb -0.36 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.18 1nk1 s SER 106 CO 0.44 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1nk1 n GLY 107 N 3.28 0.80 2.83 7.32 0.00 -1.26 -5.00 105.19 113.17 1nk1 n GLY 107 Ca 0.10 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 1nk1 n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nk1 s VAL 108 N -2.00 0.01 0.26 1.61 -7.23 -1.16 -2.41 120.40 109.47 1nk1 s VAL 108 Ca 0.00 0.09 0.12 0.00 -1.81 0.00 0.00 61.98 60.37 1nk1 s VAL 108 Cb 0.00 -0.07 -0.05 0.00 0.56 0.00 0.00 36.38 36.82 1nk1 s VAL 108 CO 0.00 0.05 -0.20 -0.54 -0.31 0.00 0.00 175.10 174.11 1nk1 s LYS 109 N 0.51 1.69 0.24 4.82 1.02 -0.42 -4.74 119.74 122.87 1nk1 s LYS 109 Ca -0.04 -1.69 0.05 0.00 0.02 0.00 0.00 55.97 54.31 1nk1 s LYS 109 Cb -0.06 -1.82 -0.03 0.00 -0.52 0.00 0.00 37.83 35.40 1nk1 s LYS 109 CO -0.01 0.35 0.34 -1.59 -0.92 0.00 0.00 175.35 173.51 1nk1 s LYS 110 N -3.32 3.35 0.06 1.68 -2.85 -1.26 0.82 119.74 118.21 1nk1 s LYS 110 Ca 0.28 -0.81 0.02 0.00 -1.00 0.00 0.00 55.97 54.45 1nk1 s LYS 110 Cb -0.06 -2.84 -0.03 0.00 -2.06 0.00 0.00 37.83 32.84 1nk1 s LYS 110 CO 0.14 0.42 -0.06 -1.83 0.10 0.00 0.00 175.35 174.11 1nk1 s GLU 111 N -3.96 0.63 0.43 1.78 -1.05 0.10 -4.86 118.70 111.77 1nk1 s GLU 111 Ca 0.34 -1.01 -0.23 0.00 -0.15 0.00 0.00 54.97 53.93 1nk1 s GLU 111 Cb -0.09 -0.17 -0.09 0.00 -0.44 0.00 0.00 34.13 33.34 1nk1 s GLU 111 CO 0.28 -0.00 1.04 0.12 0.95 0.00 0.00 175.26 177.66 1nk1 s PHE 112 N -2.49 3.17 -0.30 4.83 5.36 -1.26 -2.25 117.98 125.03 1nk1 s PHE 112 Ca -0.01 1.62 -0.17 0.00 -0.96 0.00 0.00 56.93 57.41 1nk1 s PHE 112 Cb -0.02 -3.10 0.17 0.00 -0.34 0.00 0.00 43.02 39.73 1nk1 s PHE 112 CO -0.03 -0.70 1.20 0.20 -1.46 0.00 0.00 175.22 174.44 1nk1 s GLY 113 N -1.73 -0.09 0.26 13.12 0.00 -1.03 -4.92 107.32 112.92 1nk1 s GLY 113 Ca 0.61 3.13 -0.05 0.00 0.00 0.00 0.00 44.72 48.41 1nk1 s GLY 113 CO 0.24 3.88 1.92 1.12 0.00 0.00 0.00 173.10 180.27 1nk1 h HIS 114 N 7.91 1.23 0.00 1.90 2.07 -1.97 0.39 115.15 126.68 1nk1 h HIS 114 Ca -0.11 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.44 1nk1 h HIS 114 Cb 1.17 -0.42 0.00 0.00 2.57 0.00 0.00 27.41 30.74 1nk1 h HIS 114 CO 0.08 0.75 0.00 -0.85 -3.07 0.00 0.00 177.93 174.84 1nk1 n GLU 115 N -4.41 0.13 -4.00 5.12 0.00 -1.26 -4.55 120.64 111.67 1nk1 n GLU 115 Ca 0.12 0.38 -0.23 0.00 0.00 0.00 0.00 57.16 57.43 1nk1 n GLU 115 Cb 0.05 -1.75 -0.03 0.00 0.00 0.00 0.00 31.44 29.70 1nk1 n GLU 115 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1nk1 s PHE 116 N -3.22 3.36 -0.10 -1.84 0.08 0.13 -0.12 117.98 116.27 1nk1 s PHE 116 Ca 0.05 0.01 -0.04 0.00 0.12 0.00 0.00 56.93 57.07 1nk1 s PHE 116 Cb 0.09 -1.56 0.05 0.00 -0.57 0.00 0.00 43.02 41.03 1nk1 s PHE 116 CO 0.34 0.49 0.20 -0.51 -0.10 0.00 0.00 175.22 175.63 1nk1 s ASP 117 N -3.60 0.53 -0.20 1.36 1.01 -1.13 -0.31 116.67 114.33 1nk1 s ASP 117 Ca 0.34 0.43 -0.12 0.00 0.71 0.00 0.00 52.55 53.90 1nk1 s ASP 117 Cb -0.10 0.42 -0.05 0.00 1.01 0.00 0.00 42.92 44.21 1nk1 s ASP 117 CO 0.27 -0.23 0.24 -0.22 0.21 0.00 0.00 175.17 175.44 1nk1 s LEU 118 N 2.24 4.19 -0.22 1.23 2.96 -0.55 -1.97 118.68 126.56 1nk1 s LEU 118 Ca 0.01 0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.29 1nk1 s LEU 118 Cb -0.12 -2.27 0.05 0.00 0.50 0.00 0.00 46.19 44.35 1nk1 s LEU 118 CO -0.07 0.08 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.61 1nk1 s TYR 119 N 0.72 2.85 -0.11 5.38 1.51 0.39 -0.66 117.35 127.43 1nk1 s TYR 119 Ca 0.13 -1.92 -0.04 0.00 -1.01 0.00 0.00 57.07 54.23 1nk1 s TYR 119 Cb -0.13 -1.82 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 1nk1 s TYR 119 CO 0.03 -0.82 0.05 -1.21 -1.11 0.00 0.00 175.55 172.50 1nk1 s GLU 120 N 1.25 3.26 -0.33 -0.62 2.02 -0.49 -1.20 118.70 122.58 1nk1 s GLU 120 Ca -0.03 -0.31 -0.29 0.00 0.02 0.00 0.00 54.97 54.36 1nk1 s GLU 120 Cb -0.17 -2.97 -0.01 0.00 0.10 0.00 0.00 34.13 31.08 1nk1 s GLU 120 CO -0.08 0.67 1.51 1.21 0.02 0.00 0.00 175.26 178.59 1nk1 s ASN 121 N -0.77 6.34 0.55 -0.19 3.84 -0.82 -0.65 114.94 123.23 1nk1 s ASN 121 Ca 0.12 1.18 0.34 0.00 0.21 0.00 0.00 52.86 54.71 1nk1 s ASN 121 Cb -0.12 -2.54 1.50 0.00 -0.55 0.00 0.00 41.25 39.54 1nk1 s ASN 121 CO 0.03 -1.37 1.81 0.11 -2.79 0.00 0.00 177.10 174.89 1nk1 h LYS 122 N 10.81 0.00 0.00 0.43 1.57 -1.91 0.14 116.57 127.61 1nk1 h LYS 122 Ca -0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1nk1 h LYS 122 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1nk1 h LYS 122 CO 1.05 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 179.68 1nk1 n ASP 123 N -4.08 0.00 -0.10 0.86 8.00 -1.26 -2.00 116.55 117.98 1nk1 n ASP 123 Ca 0.21 -0.15 0.02 0.00 0.71 0.00 0.00 54.79 55.58 1nk1 n ASP 123 Cb 1.12 -0.13 0.03 0.00 -0.02 0.00 0.00 41.12 42.12 1nk1 n ASP 123 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1nk1 n TYR 124 N -1.13 0.00 -3.95 1.24 4.02 0.49 -4.93 117.16 112.90 1nk1 n TYR 124 Ca 0.08 -0.39 -0.34 0.00 -0.01 0.00 0.00 57.90 57.23 1nk1 n TYR 124 Cb 0.07 -0.06 -0.14 0.00 -0.02 0.00 0.00 39.34 39.19 1nk1 n TYR 124 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1nk1 s ILE 125 N -0.97 2.79 -0.49 -0.72 1.01 -0.84 -4.99 121.20 116.99 1nk1 s ILE 125 Ca 0.07 -1.41 -0.46 0.00 0.00 0.00 0.00 60.65 58.85 1nk1 s ILE 125 Cb 0.06 -2.59 -0.20 0.00 0.01 0.00 0.00 42.46 39.74 1nk1 s ILE 125 CO 0.01 -0.06 1.70 -1.14 0.00 0.00 0.00 174.94 175.44 1nk1 n ARG 126 N 4.58 0.06 -0.25 2.79 0.63 -1.26 -4.82 116.66 118.39 1nk1 n ARG 126 Ca -0.14 0.02 0.11 0.00 -0.92 0.00 0.00 57.85 56.93 1nk1 n ARG 126 Cb 0.43 -1.54 0.27 0.00 0.45 0.00 0.00 32.46 32.08 1nk1 n ARG 126 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1nk1 n ASN 127 N 4.65 3.37 -4.64 6.15 0.23 -1.26 -4.28 115.26 119.49 1nk1 n ASN 127 Ca 0.35 -1.97 -0.25 0.00 -0.53 0.00 0.00 54.58 52.17 1nk1 n ASN 127 Cb -0.05 -0.33 -0.09 0.00 -2.08 0.00 0.00 39.78 37.23 1nk1 n ASN 127 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1nk1 s ILE 129 N -2.54 5.03 -0.27 0.00 1.01 0.60 -4.77 121.20 120.25 1nk1 s ILE 129 Ca 0.35 0.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.99 1nk1 s ILE 129 Cb 0.01 -3.18 0.01 0.00 0.01 0.00 0.00 42.46 39.32 1nk1 s ILE 129 CO 0.19 0.59 0.01 -0.63 0.00 0.00 0.00 174.94 175.10 1nk1 s ILE 130 N -0.77 3.43 0.00 2.92 1.01 -1.26 -0.86 121.20 125.67 1nk1 s ILE 130 Ca 0.13 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.96 1nk1 s ILE 130 Cb -0.12 -2.74 0.00 0.00 0.01 0.00 0.00 42.46 39.62 1nk1 s ILE 130 CO 0.03 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.74 1nk1 n GLY 131 N 4.77 2.57 0.04 6.18 0.00 -1.26 -2.09 105.19 115.41 1nk1 n GLY 131 Ca -0.16 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 45.70 1nk1 n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nk1 n LYS 132 N 12.89 0.25 -2.57 1.61 4.76 -1.26 -4.94 118.16 128.90 1nk1 n LYS 132 Ca 0.00 -0.09 -0.05 0.00 -2.87 0.00 0.00 58.31 55.30 1nk1 n LYS 132 Cb 0.00 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.71 1nk1 n LYS 132 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nk1 n GLY 133 N 1.42 0.37 0.16 0.72 0.00 -0.89 -4.09 105.19 102.89 1nk1 n GLY 133 Ca 0.09 -0.37 0.06 0.00 0.00 0.00 0.00 46.02 45.80 1nk1 n GLY 133 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nk1 h ARG 134 N -0.61 0.00 -0.38 1.61 3.08 -1.80 -3.25 114.38 113.03 1nk1 h ARG 134 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1nk1 h ARG 134 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1nk1 h ARG 134 CO 0.14 0.32 0.00 -1.13 -1.07 0.00 0.00 179.97 178.24 1nk1 n SER 135 N -3.16 4.52 -4.67 7.04 3.41 -1.26 -4.86 113.62 114.64 1nk1 n SER 135 Ca 0.02 -2.94 -0.43 0.00 -0.26 0.00 0.00 58.87 55.27 1nk1 n SER 135 Cb 0.67 -0.58 -0.02 0.00 -0.26 0.00 0.00 64.21 64.01 1nk1 n SER 135 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1nk1 s TYR 136 N -2.72 2.96 -0.08 7.33 5.04 -1.23 -4.86 117.35 123.79 1nk1 s TYR 136 Ca 0.46 1.05 0.12 0.00 -2.44 0.00 0.00 57.07 56.26 1nk1 s TYR 136 Cb 0.36 -3.49 0.18 0.00 0.35 0.00 0.00 41.96 39.36 1nk1 s TYR 136 CO 0.12 -1.66 1.08 1.63 -1.34 0.00 0.00 175.55 175.38 1nk1 n LYS 137 N 5.97 1.72 -0.92 4.97 4.76 -1.26 -4.89 118.16 128.51 1nk1 n LYS 137 Ca 0.13 -2.13 -0.29 0.00 -2.87 0.00 0.00 58.31 53.15 1nk1 n LYS 137 Cb 0.45 -1.28 0.22 0.00 -1.84 0.00 0.00 35.03 32.58 1nk1 n LYS 137 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1nk1 s GLY 138 N -2.16 1.55 -0.10 0.72 0.00 -1.26 -4.98 107.32 101.09 1nk1 s GLY 138 Ca 0.20 -0.42 0.18 0.00 0.00 0.00 0.00 44.72 44.68 1nk1 s GLY 138 CO 0.02 0.29 1.60 -1.30 0.00 0.00 0.00 173.10 173.71 1nk1 n THR 139 N -4.59 1.72 -1.94 0.90 -2.24 -1.26 -4.75 114.28 102.12 1nk1 n THR 139 Ca 0.06 -1.20 -0.42 0.00 -2.27 0.00 0.00 64.05 60.22 1nk1 n THR 139 Cb 0.57 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.95 1nk1 n THR 139 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1nk1 s VAL 140 N -1.74 2.96 -0.25 2.28 1.01 -1.26 -4.83 120.40 118.56 1nk1 s VAL 140 Ca 0.49 0.49 0.15 0.00 0.00 0.00 0.00 61.98 63.11 1nk1 s VAL 140 Cb 0.31 -3.32 0.47 0.00 0.00 0.00 0.00 36.38 33.85 1nk1 s VAL 140 CO 0.25 0.01 1.16 -1.54 0.00 0.00 0.00 175.10 174.98 1nk1 n SER 141 N 5.22 3.16 -3.74 3.32 3.41 -1.26 -0.04 113.62 123.69 1nk1 n SER 141 Ca 0.15 -3.00 -0.13 0.00 -0.26 0.00 0.00 58.87 55.64 1nk1 n SER 141 Cb 0.40 -0.41 -0.13 0.00 -0.26 0.00 0.00 64.21 63.81 1nk1 n SER 141 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1nk1 s ILE 142 N -3.90 -0.03 0.99 -1.33 1.01 -1.26 -1.37 121.20 115.29 1nk1 s ILE 142 Ca 0.40 0.13 -0.12 0.00 0.00 0.00 0.00 60.65 61.05 1nk1 s ILE 142 Cb 0.37 -0.34 0.18 0.00 0.01 0.00 0.00 42.46 42.68 1nk1 s ILE 142 CO -0.01 0.05 1.08 0.42 0.00 0.00 0.00 174.94 176.48 1nk1 s THR 143 N 1.03 2.29 0.43 2.92 -4.23 -0.67 -4.43 115.64 112.97 1nk1 s THR 143 Ca -0.08 0.09 0.14 0.00 -1.18 0.00 0.00 61.69 60.67 1nk1 s THR 143 Cb -0.09 -2.48 0.33 0.00 1.34 0.00 0.00 72.50 71.60 1nk1 s THR 143 CO -0.06 -0.12 1.96 0.50 -0.54 0.00 0.00 174.62 176.35 1nk1 h LYS 144 N -1.89 0.43 -0.09 3.99 3.64 -0.15 -0.24 116.57 122.25 1nk1 h LYS 144 Ca -0.53 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1nk1 h LYS 144 Cb 1.31 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1nk1 h LYS 144 CO 0.54 0.28 0.00 -1.13 -2.27 0.00 0.00 179.45 176.87 1nk1 n SER 145 N -4.47 0.91 0.00 4.20 3.41 -1.26 -4.90 113.62 111.50 1nk1 n SER 145 Ca 0.11 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 57.13 1nk1 n SER 145 Cb 0.41 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1nk1 n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nk1 n GLY 146 N 0.97 0.76 3.63 5.00 0.00 -0.10 -5.08 105.19 110.36 1nk1 n GLY 146 Ca 0.15 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1nk1 n GLY 146 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nk1 s ILE 147 N -2.00 4.64 0.37 -0.61 -4.36 -1.25 -4.84 121.20 113.15 1nk1 s ILE 147 Ca 0.00 -0.09 -0.25 0.00 -0.26 0.00 0.00 60.65 60.04 1nk1 s ILE 147 Cb 0.00 -3.07 -0.12 0.00 1.25 0.00 0.00 42.46 40.53 1nk1 s ILE 147 CO 0.00 0.49 0.98 1.17 0.24 0.00 0.00 174.94 177.82 1nk1 n LYS 148 N 3.31 1.31 -2.98 0.37 4.81 -1.26 -1.68 118.16 122.05 1nk1 n LYS 148 Ca -0.17 0.47 -0.34 0.00 -0.87 0.00 0.00 58.31 57.39 1nk1 n LYS 148 Cb 0.52 -1.94 -0.06 0.00 0.02 0.00 0.00 35.03 33.57 1nk1 n LYS 148 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nk1 s GLN 150 N -2.59 4.42 0.64 0.00 0.74 0.22 -4.73 119.66 118.35 1nk1 s GLN 150 Ca 0.52 0.82 -0.17 0.00 0.05 0.00 0.00 55.36 56.58 1nk1 s GLN 150 Cb -0.13 -3.43 -0.05 0.00 1.10 0.00 0.00 33.01 30.50 1nk1 s GLN 150 CO 0.18 0.12 0.71 -2.30 -0.55 0.00 0.00 175.29 173.46 1nk1 n PRO 151 N 3.60 0.57 0.02 1.67 -0.02 -1.26 -4.55 135.00 135.04 1nk1 n PRO 151 Ca -0.03 0.23 0.11 0.00 -2.02 0.00 0.00 63.50 61.80 1nk1 n PRO 151 Cb 0.51 -1.94 0.47 0.00 -0.02 0.00 0.00 33.50 32.52 1nk1 n PRO 151 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1nk1 n TRP 152 N -2.00 0.17 0.15 6.00 7.02 -0.61 -2.91 117.44 125.27 1nk1 n TRP 152 Ca 0.12 0.06 0.09 0.00 -1.02 0.00 0.00 57.50 56.75 1nk1 n TRP 152 Cb 0.48 -0.59 0.06 0.00 -2.42 0.00 0.00 31.31 28.85 1nk1 n TRP 152 CO 0.00 0.00 0.00 0.77 -2.02 0.00 0.00 177.69 176.44 1nk1 h SER 153 N 0.00 0.00 -3.47 -0.99 0.02 -1.88 -3.44 113.55 103.79 1nk1 h SER 153 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 1nk1 h SER 153 Cb 0.42 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1nk1 h SER 153 CO 0.00 0.14 -0.02 -0.44 -1.14 0.00 0.00 176.83 175.36 1nk1 s SER 154 N -5.92 6.53 -0.19 3.07 0.01 -1.14 -4.96 113.70 111.10 1nk1 s SER 154 Ca 0.03 0.95 0.14 0.00 1.31 0.00 0.00 55.95 58.38 1nk1 s SER 154 Cb 0.07 -2.24 0.39 0.00 0.21 0.00 0.00 66.02 64.45 1nk1 s SER 154 CO 0.74 -0.25 1.22 0.23 0.41 0.00 0.00 173.24 175.59 1nk1 n MET 155 N -0.88 1.55 -3.77 12.44 0.00 -1.26 -4.78 117.12 120.42 1nk1 n MET 155 Ca 0.01 -3.03 -0.13 0.00 0.00 0.00 0.00 57.70 54.54 1nk1 n MET 155 Cb 0.54 -1.60 -0.14 0.00 0.00 0.00 0.00 33.22 32.01 1nk1 n MET 155 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1nk1 s ILE 156 N -3.10 -0.04 0.26 2.02 1.01 -1.26 -3.45 121.20 116.63 1nk1 s ILE 156 Ca 0.37 0.15 0.00 0.00 0.00 0.00 0.00 60.65 61.17 1nk1 s ILE 156 Cb 0.34 -0.21 0.06 0.00 0.01 0.00 0.00 42.46 42.66 1nk1 s ILE 156 CO -0.02 0.06 1.70 -0.65 0.00 0.00 0.00 174.94 176.03 1nk1 h PRO 157 N 7.00 0.59 -5.54 2.79 0.11 -1.86 -3.46 132.00 131.64 1nk1 h PRO 157 Ca -0.40 -0.22 -0.63 0.00 0.11 0.00 0.00 66.00 64.86 1nk1 h PRO 157 Cb 1.15 -0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.14 1nk1 h PRO 157 CO 0.43 0.77 -0.44 -1.01 -0.21 0.00 0.00 178.00 177.54 1nk1 s HIS 158 N -4.57 3.54 0.44 0.65 3.76 -1.26 -5.03 115.29 112.81 1nk1 s HIS 158 Ca -0.08 0.51 -0.17 0.00 -0.15 0.00 0.00 55.06 55.17 1nk1 s HIS 158 Cb 0.14 -2.08 -0.09 0.00 1.11 0.00 0.00 32.58 31.65 1nk1 s HIS 158 CO 0.80 0.53 0.90 -2.00 -0.85 0.00 0.00 174.74 174.13 1nk1 s GLU 159 N -0.43 4.04 -0.14 1.40 2.12 -1.22 -4.25 118.70 120.22 1nk1 s GLU 159 Ca 0.14 0.91 -0.31 0.00 0.36 0.00 0.00 54.97 56.07 1nk1 s GLU 159 Cb -0.12 -2.23 0.13 0.00 0.26 0.00 0.00 34.13 32.17 1nk1 s GLU 159 CO 0.03 -0.08 1.06 -3.38 -0.54 0.00 0.00 175.26 172.35 1nk1 s HIS 160 N -2.32 -0.26 -2.21 5.30 -3.43 -1.26 -5.01 115.29 106.09 1nk1 s HIS 160 Ca 0.58 0.31 0.22 0.00 -0.80 0.00 0.00 55.06 55.37 1nk1 s HIS 160 Cb -0.10 0.50 0.54 0.00 -1.43 0.00 0.00 32.58 32.09 1nk1 s HIS 160 CO 0.22 -0.33 1.46 -1.13 -2.00 0.00 0.00 174.74 172.96 1nk1 n SER 161 N 0.22 3.35 -3.67 7.38 3.41 -1.26 -4.68 113.62 118.37 1nk1 n SER 161 Ca -0.06 -1.97 -0.42 0.00 -0.26 0.00 0.00 58.87 56.16 1nk1 n SER 161 Cb 0.59 -0.34 -0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1nk1 n SER 161 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1nk1 n PHE 162 N 1.37 3.36 -3.62 7.33 3.72 -1.26 -4.92 117.46 123.45 1nk1 n PHE 162 Ca 0.21 -2.99 -0.32 0.00 -0.05 0.00 0.00 57.45 54.30 1nk1 n PHE 162 Cb 0.56 -2.54 -0.05 0.00 -0.94 0.00 0.00 39.48 36.51 1nk1 n PHE 162 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1nk1 s LEU 163 N 1.90 4.26 0.13 4.37 1.43 -1.26 -4.90 118.68 124.61 1nk1 s LEU 163 Ca 0.50 0.67 -0.29 0.00 -1.03 0.00 0.00 54.13 53.98 1nk1 s LEU 163 Cb 0.15 -3.32 -0.06 0.00 0.03 0.00 0.00 46.19 42.98 1nk1 s LEU 163 CO -0.08 0.05 1.59 -0.65 0.23 0.00 0.00 176.35 177.48 1nk1 h PRO 164 N 2.90 -0.49 -0.99 1.29 0.11 -1.85 -1.62 132.00 131.35 1nk1 h PRO 164 Ca -0.47 0.03 0.22 0.00 0.11 0.00 0.00 66.00 65.90 1nk1 h PRO 164 Cb 1.17 0.11 -0.09 0.00 0.11 0.00 0.00 31.00 32.30 1nk1 h PRO 164 CO 0.71 -0.32 0.63 0.66 -0.21 0.00 0.00 178.00 179.46 1nk1 h SER 165 N -0.51 0.58 -0.62 -2.05 4.64 -1.95 0.11 113.55 113.75 1nk1 h SER 165 Ca 0.07 0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.41 1nk1 h SER 165 Cb 0.62 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.67 1nk1 h SER 165 CO -0.36 0.18 0.16 0.28 -0.87 0.00 0.00 176.83 176.21 1nk1 h SER 166 N 0.55 0.96 -4.33 4.97 0.02 -1.68 -3.37 113.55 110.67 1nk1 h SER 166 Ca 0.56 -0.19 -0.65 0.00 -0.84 0.00 0.00 61.79 60.67 1nk1 h SER 166 Cb 1.19 -0.25 -0.40 0.00 0.14 0.00 0.00 62.40 63.07 1nk1 h SER 166 CO -0.31 0.93 -0.59 -0.31 -1.14 0.00 0.00 176.83 175.40 1nk1 s TYR 167 N -5.28 3.23 0.23 3.45 1.51 0.37 -5.01 117.35 115.86 1nk1 s TYR 167 Ca -0.11 -3.11 -0.19 0.00 -1.01 0.00 0.00 57.07 52.65 1nk1 s TYR 167 Cb 0.15 -2.88 -0.08 0.00 -0.11 0.00 0.00 41.96 39.04 1nk1 s TYR 167 CO 0.83 -0.76 0.73 0.50 -1.11 0.00 0.00 175.55 175.74 1nk1 s ARG 168 N -0.24 4.23 0.00 -0.62 3.52 -1.24 -3.42 118.95 121.19 1nk1 s ARG 168 Ca 0.17 0.86 0.00 0.00 -0.13 0.00 0.00 55.73 56.62 1nk1 s ARG 168 Cb -0.25 -2.84 0.00 0.00 -1.56 0.00 0.00 34.95 30.30 1nk1 s ARG 168 CO -0.01 0.37 0.00 0.41 -0.81 0.00 0.00 175.30 175.26 1nk1 n GLY 169 N 0.62 3.20 0.22 8.12 0.00 -1.26 -4.86 105.19 111.23 1nk1 n GLY 169 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 1nk1 n GLY 169 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nk1 n LYS 170 N -1.51 1.29 -4.27 1.61 4.76 -1.22 -4.96 118.16 113.85 1nk1 n LYS 170 Ca 0.00 -0.44 -0.33 0.00 -2.87 0.00 0.00 58.31 54.67 1nk1 n LYS 170 Cb 0.00 -1.25 -0.08 0.00 -1.84 0.00 0.00 35.03 31.86 1nk1 n LYS 170 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1nk1 n ASP 171 N -0.27 0.33 -3.54 4.39 2.03 -1.26 -4.83 116.55 113.39 1nk1 n ASP 171 Ca 0.11 -1.27 -0.40 0.00 0.52 0.00 0.00 54.79 53.75 1nk1 n ASP 171 Cb 0.15 -1.67 -0.02 0.00 -0.72 0.00 0.00 41.12 38.86 1nk1 n ASP 171 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1nk1 n LEU 172 N -4.63 7.38 -4.84 -2.67 4.77 -1.26 -4.90 117.00 110.83 1nk1 n LEU 172 Ca -0.30 -4.11 -0.30 0.00 -0.03 0.00 0.00 56.01 51.26 1nk1 n LEU 172 Cb 0.68 -1.57 -0.05 0.00 -2.33 0.00 0.00 43.42 40.15 1nk1 n LEU 172 CO 0.83 1.38 -0.21 -1.10 -1.33 0.00 0.00 177.39 176.97 1nk1 s GLN 173 N 2.91 3.13 4.40 3.23 -1.52 -1.26 -4.57 119.66 125.98 1nk1 s GLN 173 Ca 0.56 -0.61 0.00 0.00 -1.95 0.00 0.00 55.36 53.36 1nk1 s GLN 173 Cb 0.15 -2.85 0.00 0.00 -0.22 0.00 0.00 33.01 30.09 1nk1 s GLN 173 CO -0.07 0.57 0.00 0.39 -0.25 0.00 0.00 175.29 175.94 1nk1 n GLU 174 N 0.25 0.00 -2.41 2.91 -0.58 -1.26 -2.32 120.64 117.23 1nk1 n GLU 174 Ca -0.07 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.50 1nk1 n GLU 174 Cb 0.52 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.41 1nk1 n GLU 174 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1nk1 n ASN 175 N 2.47 3.60 -4.74 1.62 6.94 -1.26 -1.57 115.26 122.32 1nk1 n ASN 175 Ca 0.00 -3.20 -0.41 0.00 -0.02 0.00 0.00 54.58 50.95 1nk1 n ASN 175 Cb 0.00 -0.43 -0.04 0.00 -2.36 0.00 0.00 39.78 36.95 1nk1 n ASN 175 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1nk1 s TYR 176 N -3.56 3.61 0.03 -2.53 2.02 -0.98 -4.45 117.35 111.49 1nk1 s TYR 176 Ca 0.41 1.61 -0.30 0.00 -0.37 0.00 0.00 57.07 58.42 1nk1 s TYR 176 Cb 0.39 -3.26 -0.08 0.00 -0.40 0.00 0.00 41.96 38.62 1nk1 s TYR 176 CO -0.04 -0.54 1.76 0.00 -1.57 0.00 0.00 175.55 175.17 1nk1 s ARG 178 N 3.58 1.62 -0.41 0.00 1.81 -0.49 -4.72 118.95 120.34 1nk1 s ARG 178 Ca 0.79 -1.93 0.08 0.00 -1.72 0.00 0.00 55.73 52.95 1nk1 s ARG 178 Cb -0.39 -0.08 0.26 0.00 -0.45 0.00 0.00 34.95 34.29 1nk1 s ARG 178 CO 0.35 -0.47 0.64 -1.71 -0.68 0.00 0.00 175.30 173.42 1nk1 n ASN 179 N -0.99 -0.46 -0.26 0.23 2.85 -1.26 -0.41 115.26 114.96 1nk1 n ASN 179 Ca 0.01 -2.88 0.00 0.00 -0.11 0.00 0.00 54.58 51.60 1nk1 n ASN 179 Cb 0.65 -0.06 0.13 0.00 1.24 0.00 0.00 39.78 41.73 1nk1 n ASN 179 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1nk1 h PRO 180 N 3.86 0.71 0.00 1.20 0.11 -1.89 -2.42 132.00 133.57 1nk1 h PRO 180 Ca 0.02 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1nk1 h PRO 180 Cb 0.93 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1nk1 h PRO 180 CO 0.43 0.47 -0.05 0.54 -0.21 0.00 0.00 178.00 179.18 1nk1 n ARG 181 N -4.77 0.00 -2.86 1.05 1.74 -1.26 -4.95 116.66 105.61 1nk1 n ARG 181 Ca 0.11 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.08 1nk1 n ARG 181 Cb 0.21 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.21 1nk1 n ARG 181 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nk1 n GLY 182 N 1.50 -0.15 3.88 -0.13 0.00 -0.91 -5.01 105.19 104.37 1nk1 n GLY 182 Ca 0.07 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1nk1 n GLY 182 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nk1 s GLU 183 N -4.68 3.73 0.10 1.61 2.02 -1.26 -4.99 118.70 115.22 1nk1 s GLU 183 Ca 0.06 0.12 -0.01 0.00 0.02 0.00 0.00 54.97 55.16 1nk1 s GLU 183 Cb -0.01 -2.93 0.22 0.00 0.10 0.00 0.00 34.13 31.52 1nk1 s GLU 183 CO 0.47 0.51 0.52 0.39 0.02 0.00 0.00 175.26 177.18 1nk1 n GLU 184 N 0.60 -0.03 0.23 1.61 -0.58 -1.26 -0.62 120.64 120.59 1nk1 n GLU 184 Ca -0.06 0.51 0.16 0.00 -0.42 0.00 0.00 57.16 57.35 1nk1 n GLU 184 Cb 0.52 -0.79 0.66 0.00 -0.57 0.00 0.00 31.44 31.27 1nk1 n GLU 184 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1nk1 h GLY 185 N 0.00 0.00 0.00 0.62 0.00 -1.94 -3.48 103.07 98.27 1nk1 h GLY 185 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1nk1 h GLY 185 CO -0.32 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.83 1nk1 n GLY 186 N -0.15 -1.74 3.77 4.60 0.00 0.21 -4.88 105.19 107.00 1nk1 n GLY 186 Ca 0.01 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 1nk1 n GLY 186 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nk1 n PRO 187 N 0.00 2.63 -3.11 1.61 -0.02 -1.26 -4.69 135.00 130.16 1nk1 n PRO 187 Ca 0.00 0.92 -0.10 0.00 -2.02 0.00 0.00 63.50 62.31 1nk1 n PRO 187 Cb 0.00 -2.65 -0.02 0.00 -0.02 0.00 0.00 33.50 30.81 1nk1 n PRO 187 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1nk1 n TRP 188 N 0.60 -0.98 -3.53 6.00 4.27 0.45 -1.21 117.44 123.04 1nk1 n TRP 188 Ca 0.02 -1.50 -0.11 0.00 -3.89 0.00 0.00 57.50 52.03 1nk1 n TRP 188 Cb 0.38 0.32 -0.04 0.00 -1.36 0.00 0.00 31.31 30.61 1nk1 n TRP 188 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1nk1 s PHE 190 N -2.01 3.43 0.56 0.00 0.08 -1.26 -2.01 117.98 116.76 1nk1 s PHE 190 Ca -0.00 1.31 -0.16 0.00 0.12 0.00 0.00 56.93 58.20 1nk1 s PHE 190 Cb -0.01 -3.40 -0.06 0.00 -0.57 0.00 0.00 43.02 38.98 1nk1 s PHE 190 CO -0.02 -1.22 1.03 0.99 -0.10 0.00 0.00 175.22 175.90 1nk1 s THR 191 N 1.16 4.12 -1.97 0.64 2.01 -0.22 0.69 115.64 122.06 1nk1 s THR 191 Ca 0.58 1.02 0.30 0.00 0.31 0.00 0.00 61.69 63.90 1nk1 s THR 191 Cb -0.29 -3.53 0.63 0.00 0.01 0.00 0.00 72.50 69.32 1nk1 s THR 191 CO 0.29 -0.58 1.95 -1.54 -0.69 0.00 0.00 174.62 174.05 1nk1 n SER 192 N -1.81 0.57 -4.47 3.53 3.41 -0.97 -4.53 113.62 109.36 1nk1 n SER 192 Ca 0.08 -0.94 -0.43 0.00 -0.26 0.00 0.00 58.87 57.31 1nk1 n SER 192 Cb 0.53 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.38 1nk1 n SER 192 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1nk1 s ASN 193 N -2.20 6.24 0.53 4.04 3.84 -1.26 -4.76 114.94 121.37 1nk1 s ASN 193 Ca 0.37 -0.73 0.39 0.00 0.21 0.00 0.00 52.86 53.11 1nk1 s ASN 193 Cb 0.21 -2.29 1.58 0.00 -0.55 0.00 0.00 41.25 40.20 1nk1 s ASN 193 CO 0.41 -0.82 1.71 -0.65 -2.79 0.00 0.00 177.10 174.96 1nk1 h PRO 194 N 8.93 0.03 0.00 0.43 0.11 -1.96 0.33 132.00 139.87 1nk1 h PRO 194 Ca -0.27 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.72 1nk1 h PRO 194 Cb 1.10 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1nk1 h PRO 194 CO 0.92 0.02 -0.59 0.93 -0.21 0.00 0.00 178.00 179.08 1nk1 h GLU 195 N 0.03 0.00 -4.11 1.05 3.07 -1.95 -3.40 114.58 109.28 1nk1 h GLU 195 Ca 0.72 0.00 -0.73 0.00 -0.50 0.00 0.00 59.36 58.84 1nk1 h GLU 195 Cb 2.75 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 30.37 1nk1 h GLU 195 CO -0.07 0.59 -0.30 0.08 -1.40 0.00 0.00 179.01 177.91 1nk1 s VAL 196 N -3.28 4.44 0.07 3.13 1.01 0.12 -4.97 120.40 120.92 1nk1 s VAL 196 Ca 0.01 -2.03 -0.21 0.00 0.00 0.00 0.00 61.98 59.75 1nk1 s VAL 196 Cb 0.10 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 32.52 1nk1 s VAL 196 CO 0.74 -0.84 1.34 -0.09 0.00 0.00 0.00 175.10 176.25 1nk1 h ARG 197 N 8.19 -0.39 -4.04 2.72 1.12 -1.78 -3.30 114.38 116.90 1nk1 h ARG 197 Ca -0.14 0.03 -0.12 0.00 -1.11 0.00 0.00 59.98 58.64 1nk1 h ARG 197 Cb 1.05 0.09 -0.14 0.00 -0.01 0.00 0.00 29.97 30.96 1nk1 h ARG 197 CO 0.84 -0.26 -0.49 1.52 -3.11 0.00 0.00 179.97 178.48 1nk1 s TYR 198 N -4.67 0.42 0.16 2.20 1.13 -1.26 -1.05 117.35 114.27 1nk1 s TYR 198 Ca -0.10 -0.86 -0.19 0.00 -1.41 0.00 0.00 57.07 54.51 1nk1 s TYR 198 Cb 0.04 -0.22 0.05 0.00 -1.10 0.00 0.00 41.96 40.73 1nk1 s TYR 198 CO 0.37 -0.54 0.52 -2.00 -2.51 0.00 0.00 175.55 171.40 1nk1 s GLU 199 N -3.93 1.25 0.37 -3.49 2.12 -0.85 -4.87 118.70 109.30 1nk1 s GLU 199 Ca 0.11 -0.65 -0.11 0.00 0.36 0.00 0.00 54.97 54.68 1nk1 s GLU 199 Cb 0.06 0.54 -0.07 0.00 0.26 0.00 0.00 34.13 34.91 1nk1 s GLU 199 CO -0.06 -0.53 0.73 0.08 -0.54 0.00 0.00 175.26 174.94 1nk1 s VAL 200 N -3.80 4.78 0.16 3.70 1.01 -1.26 -1.60 120.40 123.39 1nk1 s VAL 200 Ca 0.04 0.65 0.02 0.00 0.00 0.00 0.00 61.98 62.68 1nk1 s VAL 200 Cb -0.00 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1nk1 s VAL 200 CO -0.10 -0.40 0.31 0.00 0.00 0.00 0.00 175.10 174.91 1nk1 n ASP 202 N -0.58 7.46 -4.70 0.00 2.03 -1.26 -4.74 116.55 114.77 1nk1 n ASP 202 Ca -0.06 -3.36 -0.40 0.00 0.52 0.00 0.00 54.79 51.49 1nk1 n ASP 202 Cb 0.54 -1.25 -0.05 0.00 -0.72 0.00 0.00 41.12 39.63 1nk1 n ASP 202 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1nk1 s ILE 203 N -2.58 5.05 0.94 5.18 1.01 -1.26 -5.04 121.20 124.49 1nk1 s ILE 203 Ca 0.52 1.33 -0.11 0.00 0.00 0.00 0.00 60.65 62.38 1nk1 s ILE 203 Cb 0.26 -3.99 0.15 0.00 0.01 0.00 0.00 42.46 38.89 1nk1 s ILE 203 CO -0.17 0.21 1.10 -2.84 0.00 0.00 0.00 174.94 173.24 1nk1 s PRO 204 N 1.16 0.90 0.19 2.79 0.02 -1.26 -4.76 135.00 134.04 1nk1 s PRO 204 Ca 0.34 1.18 -0.07 0.00 0.02 0.00 0.00 61.00 62.46 1nk1 s PRO 204 Cb -0.17 -1.74 -0.06 0.00 0.02 0.00 0.00 34.50 32.55 1nk1 s PRO 204 CO 0.15 -2.59 0.46 -1.14 -0.33 0.00 0.00 177.00 173.54 1nk1 s GLN 205 N -4.72 3.70 0.12 5.54 2.00 -1.26 -0.29 119.66 124.74 1nk1 s GLN 205 Ca 0.65 0.07 -0.10 0.00 -2.00 0.00 0.00 55.36 53.98 1nk1 s GLN 205 Cb -0.21 -2.75 -0.09 0.00 0.80 0.00 0.00 33.01 30.76 1nk1 s GLN 205 CO 0.59 0.39 1.37 0.00 -0.50 0.00 0.00 175.29 177.13 1nk1 s SER 207 N -7.04 0.60 -0.30 0.00 0.15 -1.26 -5.05 113.70 100.80 1nk1 s SER 207 Ca -0.10 -0.39 -0.03 0.00 0.70 0.00 0.00 55.95 56.14 1nk1 s SER 207 Cb 0.09 1.00 0.11 0.00 -1.71 0.00 0.00 66.02 65.51 1nk1 s SER 207 CO 0.89 -0.35 0.16 -0.70 1.20 0.00 0.00 173.24 174.43 1nk1 s GLU 208 N 2.51 0.26 0.00 5.44 2.12 -1.26 -5.05 118.70 122.72 1nk1 s GLU 208 Ca 0.10 -0.62 0.32 0.00 0.36 0.00 0.00 54.97 55.12 1nk1 s GLU 208 Cb -0.13 -1.13 1.91 0.00 0.26 0.00 0.00 34.13 35.04 1nk1 s GLU 208 CO -0.29 -1.05 2.23 0.28 -0.54 0.00 0.00 175.26 175.88