#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knk n ASN 2 N 0.00 0.05 -2.69 6.12 3.02 -1.26 -1.38 115.26 119.13 3knk n ASN 2 Ca 0.00 -0.52 -0.03 0.00 -0.03 0.00 0.00 54.58 54.00 3knk n ASN 2 Cb 0.00 -0.02 0.03 0.00 -0.61 0.00 0.00 39.78 39.18 3knk n ASN 2 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3knk n ARG 3 N -0.33 0.18 0.00 3.52 5.12 -1.26 -5.00 116.66 118.89 3knk n ARG 3 Ca 0.00 -1.01 0.00 0.00 -1.93 0.00 0.00 57.85 54.91 3knk n ARG 3 Cb 0.01 -0.17 0.00 0.00 -1.16 0.00 0.00 32.46 31.15 3knk n ARG 3 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3knk n GLY 4 N 2.63 0.00 2.01 -0.13 0.00 -0.48 -2.68 105.19 106.54 3knk n GLY 4 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3knk n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knk n ALA 5 N 0.60 2.60 -0.31 4.61 0.00 -1.26 -4.84 120.51 121.91 3knk n ALA 5 Ca 0.00 0.00 0.35 0.00 0.00 0.00 0.00 53.44 53.79 3knk n ALA 5 Cb 0.00 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.16 3knk n ALA 5 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3knk h LEU 6 N 0.00 0.00 -0.49 0.00 6.46 -1.91 0.84 115.31 120.21 3knk h LEU 6 Ca 0.00 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.83 3knk h LEU 6 Cb 0.00 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 39.84 3knk h LEU 6 CO 0.00 0.00 -0.49 0.40 -0.62 0.00 0.00 178.44 177.73 3knk h ILE 7 N 0.00 0.05 -0.99 4.05 1.08 -1.88 -0.11 117.51 119.72 3knk h ILE 7 Ca 0.56 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 65.22 3knk h ILE 7 Cb 2.48 0.05 -0.10 0.00 -3.07 0.00 0.00 36.82 36.19 3knk h ILE 7 CO -0.01 0.00 0.61 0.11 -0.69 0.00 0.00 178.15 178.18 3knk h LYS 8 N -0.31 0.67 0.00 2.37 1.57 0.38 0.52 116.57 121.77 3knk h LYS 8 Ca 0.13 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3knk h LYS 8 Cb 0.58 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3knk h LYS 8 CO -0.63 0.44 -0.02 1.25 -0.57 0.00 0.00 179.45 179.92 3knk h LEU 9 N 0.69 0.00 0.00 2.94 6.46 -1.02 -3.19 115.31 121.19 3knk h LEU 9 Ca 0.55 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.31 3knk h LEU 9 Cb 0.96 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.89 3knk h LEU 9 CO -0.33 0.02 0.00 0.52 -0.62 0.00 0.00 178.44 178.03 3knk n VAL 10 N -3.77 0.00 -0.19 1.05 0.31 0.17 -2.96 118.33 112.95 3knk n VAL 10 Ca -0.03 1.04 0.28 0.00 -0.01 0.00 0.00 64.34 65.62 3knk n VAL 10 Cb 0.10 -2.00 0.53 0.00 -0.91 0.00 0.00 33.84 31.56 3knk n VAL 10 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3knk h GLU 11 N 0.00 0.00 -3.20 5.55 3.07 -1.69 -3.16 114.58 115.15 3knk h GLU 11 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 3knk h GLU 11 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3knk h GLU 11 CO 0.00 0.00 0.71 0.43 -1.40 0.00 0.00 179.01 178.75 3knk n SER 12 N -3.40 0.85 0.12 1.42 7.64 -1.15 -3.80 113.62 115.30 3knk n SER 12 Ca 0.21 -1.78 0.00 0.00 1.01 0.00 0.00 58.87 58.32 3knk n SER 12 Cb 1.37 -0.34 -0.01 0.00 -1.01 0.00 0.00 64.21 64.23 3knk n SER 12 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3knk h ARG 13 N 6.26 0.00 -2.32 1.43 -0.00 -1.81 -3.30 114.38 114.64 3knk h ARG 13 Ca 0.06 0.00 -0.11 0.00 -0.50 0.00 0.00 59.98 59.43 3knk h ARG 13 Cb 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.08 3knk h ARG 13 CO 0.68 0.59 -0.06 0.66 0.00 0.00 0.00 179.97 181.83 3knk n TYR 14 N -3.24 0.00 -5.01 3.04 4.02 -1.25 -4.77 117.16 109.95 3knk n TYR 14 Ca 0.01 -0.93 -0.32 0.00 -0.01 0.00 0.00 57.90 56.65 3knk n TYR 14 Cb 0.78 -1.08 -0.14 0.00 -0.02 0.00 0.00 39.34 38.88 3knk n TYR 14 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3knk s VAL 15 N 1.60 2.73 0.00 -0.72 0.11 -1.25 -4.86 120.40 118.02 3knk s VAL 15 Ca 0.38 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.59 3knk s VAL 15 Cb 0.18 -2.05 0.00 0.00 -1.53 0.00 0.00 36.38 32.98 3knk s VAL 15 CO 0.00 0.58 0.00 0.54 -3.33 0.00 0.00 175.10 172.89 3knk n ARG 16 N 2.52 0.00 0.00 1.54 5.12 -1.26 -5.03 116.66 119.54 3knk n ARG 16 Ca -0.17 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 3knk n ARG 16 Cb 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.82 3knk n ARG 16 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 3knk n THR 17 N 0.00 0.00 1.58 0.55 5.66 -1.26 -5.00 114.28 115.81 3knk n THR 17 Ca 0.00 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.14 3knk n THR 17 Cb 0.00 0.00 0.59 0.00 -1.55 0.00 0.00 70.33 69.37 3knk n THR 17 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3knk n ASP 18 N 0.00 1.21 -4.60 1.09 5.75 -1.26 -4.85 116.55 113.90 3knk n ASP 18 Ca 0.00 -1.42 -0.36 0.00 -0.01 0.00 0.00 54.79 52.99 3knk n ASP 18 Cb 0.00 -0.01 -0.10 0.00 -1.03 0.00 0.00 41.12 39.98 3knk n ASP 18 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3knk s LEU 19 N -1.96 3.88 1.00 -2.12 1.02 -1.26 -4.98 118.68 114.27 3knk s LEU 19 Ca 0.39 0.02 -0.20 0.00 0.02 0.00 0.00 54.13 54.36 3knk s LEU 19 Cb 0.21 -2.03 -0.13 0.00 0.02 0.00 0.00 46.19 44.26 3knk s LEU 19 CO 0.33 0.05 -0.87 -2.65 0.02 0.00 0.00 176.35 173.24 3knk n PRO 20 N 4.35 -0.16 -4.11 1.29 -0.02 -1.26 -4.98 135.00 130.11 3knk n PRO 20 Ca -0.15 -0.04 -0.36 0.00 -2.02 0.00 0.00 63.50 60.93 3knk n PRO 20 Cb 0.52 -1.15 -0.08 0.00 -0.02 0.00 0.00 33.50 32.77 3knk n PRO 20 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3knk s GLU 21 N -2.29 3.32 0.13 -0.52 2.12 -1.26 -5.10 118.70 115.11 3knk s GLU 21 Ca 0.42 -0.28 -0.00 0.00 0.36 0.00 0.00 54.97 55.47 3knk s GLU 21 Cb -0.08 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 3knk s GLU 21 CO 0.74 0.68 0.03 -0.59 -0.54 0.00 0.00 175.26 175.58 3knk s PHE 22 N -0.77 0.91 0.01 5.30 -0.00 -1.26 -5.10 117.98 117.07 3knk s PHE 22 Ca 0.13 -1.15 -0.07 0.00 -0.00 0.00 0.00 56.93 55.84 3knk s PHE 22 Cb -0.12 -0.53 0.00 0.00 -0.00 0.00 0.00 43.02 42.37 3knk s PHE 22 CO 0.03 -0.41 0.13 1.03 -0.00 0.00 0.00 175.22 176.00 3knk s ARG 23 N -3.99 0.48 0.00 1.99 0.52 -1.26 -4.99 118.95 111.70 3knk s ARG 23 Ca 0.21 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 3knk s ARG 23 Cb 0.07 0.20 0.00 0.00 0.52 0.00 0.00 34.95 35.74 3knk s ARG 23 CO 0.01 -0.11 0.00 -2.30 0.02 0.00 0.00 175.30 172.91 3knk n PRO 24 N 1.42 0.00 0.00 3.54 -0.02 -1.26 -4.39 135.00 134.29 3knk n PRO 24 Ca -0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.25 3knk n PRO 24 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 3knk n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knk n GLY 25 N 0.00 0.55 3.05 -1.23 0.00 -1.26 -4.77 105.19 101.53 3knk n GLY 25 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3knk n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3knk s ASP 26 N -1.00 5.42 0.00 1.61 3.68 -1.26 -2.89 116.67 122.24 3knk s ASP 26 Ca 0.00 -3.45 0.00 0.00 2.13 0.00 0.00 52.55 51.23 3knk s ASP 26 Cb 0.00 -1.82 0.00 0.00 -1.45 0.00 0.00 42.92 39.65 3knk s ASP 26 CO 0.00 -0.22 0.00 1.07 0.13 0.00 0.00 175.17 176.15 3knk n THR 27 N 2.64 0.00 0.00 1.71 5.66 -1.25 -3.10 114.28 119.94 3knk n THR 27 Ca 0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 3knk n THR 27 Cb 0.36 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.14 3knk n THR 27 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3knk n VAL 28 N 0.00 0.00 0.00 1.08 0.31 -1.24 -2.33 118.33 116.16 3knk n VAL 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3knk n VAL 28 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3knk n VAL 28 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3knk n ARG 29 N 0.00 0.00 0.00 5.55 3.00 0.14 -3.51 116.66 121.84 3knk n ARG 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3knk n ARG 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3knk n ARG 29 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3knk n VAL 30 N -0.76 0.00 0.00 5.15 0.24 -1.26 -4.22 118.33 117.49 3knk n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3knk n VAL 30 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3knk n VAL 30 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3knk n SER 31 N 0.00 0.00 0.00 -1.34 3.41 -1.05 -4.74 113.62 109.90 3knk n SER 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3knk n SER 31 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3knk n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3knk n TYR 32 N 0.00 0.00 0.00 7.33 0.18 -1.26 -4.11 117.16 119.30 3knk n TYR 32 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3knk n TYR 32 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3knk n TYR 32 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 3knk n LYS 33 N 0.00 0.00 -1.65 -3.48 4.76 -1.26 -2.54 118.16 113.99 3knk n LYS 33 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 3knk n LYS 33 Cb 0.00 0.00 0.08 0.00 -1.84 0.00 0.00 35.03 33.27 3knk n LYS 33 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3knk n VAL 34 N -0.52 2.23 0.00 -0.18 0.31 -1.26 -3.49 118.33 115.42 3knk n VAL 34 Ca 0.00 -3.70 0.00 0.00 -0.01 0.00 0.00 64.34 60.63 3knk n VAL 34 Cb 0.00 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 3knk n VAL 34 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3knk n LYS 35 N -0.77 2.10 0.00 5.55 2.85 -1.26 -4.54 118.16 122.09 3knk n LYS 35 Ca 0.32 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.58 3knk n LYS 35 Cb 0.88 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.26 3knk n LYS 35 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3knk n GLU 36 N 0.00 0.00 0.00 -1.58 2.13 -1.26 -2.33 120.64 117.59 3knk n GLU 36 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3knk n GLU 36 Cb 0.00 -0.72 0.00 0.00 0.27 0.00 0.00 31.44 30.99 3knk n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3knk n GLY 37 N 0.72 3.01 3.12 8.31 0.00 -1.26 -4.97 105.19 114.11 3knk n GLY 37 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3knk n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knk s ASN 38 N -0.20 3.38 0.00 1.61 4.22 -0.99 -5.09 114.94 117.88 3knk s ASN 38 Ca 0.00 -0.76 0.00 0.00 -2.14 0.00 0.00 52.86 49.96 3knk s ASN 38 Cb 0.00 -1.50 0.00 0.00 1.28 0.00 0.00 41.25 41.03 3knk s ASN 38 CO 0.00 -0.03 0.00 0.54 -2.04 0.00 0.00 177.10 175.57 3knk n ARG 39 N 4.60 0.00 0.00 3.55 1.74 -1.26 -4.53 116.66 120.75 3knk n ARG 39 Ca -0.20 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 3knk n ARG 39 Cb 0.49 -0.29 0.00 0.00 -1.02 0.00 0.00 32.46 31.64 3knk n ARG 39 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3knk n THR 40 N 0.00 0.00 -3.16 0.55 -2.24 -1.26 -4.22 114.28 103.95 3knk n THR 40 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 3knk n THR 40 Cb 0.00 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 3knk n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3knk n ARG 41 N 0.00 0.59 -1.50 -0.78 0.00 -1.05 -5.06 116.66 108.86 3knk n ARG 41 Ca 0.00 -2.96 -0.45 0.00 -0.00 0.00 0.00 57.85 54.44 3knk n ARG 41 Cb 0.00 -1.36 -0.06 0.00 0.00 0.00 0.00 32.46 31.03 3knk n ARG 41 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 3knk n ILE 42 N 1.85 0.13 -3.86 5.15 -0.00 -1.20 -4.08 119.36 117.35 3knk n ILE 42 Ca 0.21 -0.38 -0.35 0.00 -0.00 0.00 0.00 62.75 62.23 3knk n ILE 42 Cb 0.53 -1.91 -0.13 0.00 -0.00 0.00 0.00 39.64 38.14 3knk n ILE 42 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.55 174.97 3knk s GLN 43 N 7.02 2.10 0.75 0.38 0.74 -1.26 -4.90 119.66 124.49 3knk s GLN 43 Ca 1.09 -1.61 -0.14 0.00 0.05 0.00 0.00 55.36 54.75 3knk s GLN 43 Cb -0.68 -3.37 0.05 0.00 1.10 0.00 0.00 33.01 30.12 3knk s GLN 43 CO 0.42 -0.88 1.18 -0.51 -0.55 0.00 0.00 175.29 174.95 3knk s ASP 44 N 1.47 4.14 -0.09 6.67 1.11 -1.26 -2.54 116.67 126.17 3knk s ASP 44 Ca 0.03 2.24 -0.03 0.00 0.18 0.00 0.00 52.55 54.97 3knk s ASP 44 Cb -0.21 -2.58 0.05 0.00 1.07 0.00 0.00 42.92 41.25 3knk s ASP 44 CO -0.04 -2.29 0.17 0.12 1.18 0.00 0.00 175.17 174.32 3knk s PHE 45 N -2.20 -0.21 -0.10 4.23 5.36 -1.26 -4.74 117.98 119.06 3knk s PHE 45 Ca 0.71 0.64 -0.03 0.00 -0.96 0.00 0.00 56.93 57.29 3knk s PHE 45 Cb -0.26 -0.20 -0.04 0.00 -0.34 0.00 0.00 43.02 42.18 3knk s PHE 45 CO 0.47 -0.27 0.04 -2.00 -1.46 0.00 0.00 175.22 172.01 3knk s GLU 46 N 2.13 3.13 0.00 10.12 2.12 -1.26 0.28 118.70 135.22 3knk s GLU 46 Ca 0.01 -0.32 0.00 0.00 0.36 0.00 0.00 54.97 55.02 3knk s GLU 46 Cb -0.12 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.36 3knk s GLU 46 CO -0.06 0.72 0.00 0.41 -0.54 0.00 0.00 175.26 175.79 3knk n GLY 47 N 2.11 2.00 3.76 -1.50 0.00 -1.26 -4.47 105.19 105.82 3knk n GLY 47 Ca -0.19 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 3knk n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3knk s ILE 48 N -2.00 4.54 0.30 -0.61 1.09 -1.01 -3.59 121.20 119.92 3knk s ILE 48 Ca 0.00 1.72 -0.27 0.00 -1.10 0.00 0.00 60.65 61.00 3knk s ILE 48 Cb 0.00 -4.15 -0.10 0.00 -1.06 0.00 0.00 42.46 37.15 3knk s ILE 48 CO 0.00 0.43 0.94 0.54 -0.10 0.00 0.00 174.94 176.75 3knk s VAL 49 N -0.53 4.16 0.00 2.92 0.11 -1.14 -0.75 120.40 125.17 3knk s VAL 49 Ca 0.38 1.90 0.00 0.00 -2.93 0.00 0.00 61.98 61.34 3knk s VAL 49 Cb -0.22 -4.11 0.00 0.00 -1.53 0.00 0.00 36.38 30.52 3knk s VAL 49 CO 0.25 0.25 0.20 -0.38 -3.33 0.00 0.00 175.10 172.09 3knk n ILE 50 N 0.84 0.00 -3.42 7.04 -0.00 -0.33 -4.39 119.36 119.10 3knk n ILE 50 Ca 0.01 -0.37 0.01 0.00 -0.00 0.00 0.00 62.75 62.40 3knk n ILE 50 Cb 0.49 1.14 -0.03 0.00 -0.00 0.00 0.00 39.64 41.24 3knk n ILE 50 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 3knk s ARG 51 N -0.34 0.47 -0.19 0.38 3.52 -1.25 -2.31 118.95 119.24 3knk s ARG 51 Ca 0.00 1.07 -0.01 0.00 -0.13 0.00 0.00 55.73 56.66 3knk s ARG 51 Cb 0.00 0.63 0.00 0.00 -1.56 0.00 0.00 34.95 34.03 3knk s ARG 51 CO 0.00 -0.28 -0.13 0.42 -0.81 0.00 0.00 175.30 174.50 3knk s ILE 52 N 2.79 2.71 -0.25 4.11 1.01 -1.26 -2.29 121.20 128.01 3knk s ILE 52 Ca 0.02 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.96 3knk s ILE 52 Cb -0.11 -2.18 0.05 0.00 0.01 0.00 0.00 42.46 40.23 3knk s ILE 52 CO -0.18 0.49 -0.11 -0.60 0.00 0.00 0.00 174.94 174.54 3knk s ARG 53 N 1.23 2.33 0.00 2.79 3.52 -0.98 -4.95 118.95 122.90 3knk s ARG 53 Ca 0.03 -1.29 0.00 0.00 -0.13 0.00 0.00 55.73 54.34 3knk s ARG 53 Cb -0.14 -2.88 0.00 0.00 -1.56 0.00 0.00 34.95 30.37 3knk s ARG 53 CO -0.06 -0.54 0.00 0.54 -0.81 0.00 0.00 175.30 174.43 3knk n ARG 54 N 4.46 3.30 0.00 5.12 5.12 -1.26 -1.28 116.66 132.13 3knk n ARG 54 Ca -0.15 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 3knk n ARG 54 Cb 0.43 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.73 3knk n ARG 54 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3knk n ASN 55 N 0.00 0.00 0.00 0.55 4.05 -1.26 -4.40 115.26 114.20 3knk n ASN 55 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 3knk n ASN 55 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 3knk n ASN 55 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3knk n GLY 56 N 0.00 0.72 0.00 8.20 0.00 -1.26 -4.26 105.19 108.60 3knk n GLY 56 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.64 3knk n GLY 56 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3knk n PHE 57 N 0.00 -0.06 -1.06 1.61 -0.00 -1.26 -4.49 117.46 112.20 3knk n PHE 57 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3knk n PHE 57 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 3knk n PHE 57 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 3knk n ASN 58 N 0.00 0.00 -4.90 -2.13 0.23 -1.26 -4.88 115.26 102.32 3knk n ASN 58 Ca 0.00 0.00 -0.24 0.00 -0.53 0.00 0.00 54.58 53.81 3knk n ASN 58 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.69 3knk n ASN 58 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3knk s THR 59 N -0.77 1.99 0.26 5.53 -4.23 -1.23 -4.64 115.64 112.55 3knk s THR 59 Ca 0.00 -1.42 -0.01 0.00 -1.18 0.00 0.00 61.69 59.07 3knk s THR 59 Cb 0.00 -2.41 0.01 0.00 1.34 0.00 0.00 72.50 71.43 3knk s THR 59 CO 0.00 0.00 0.36 0.35 -0.54 0.00 0.00 174.62 174.79 3knk n THR 60 N -1.72 0.00 0.00 3.99 -2.24 -0.40 -4.19 114.28 109.72 3knk n THR 60 Ca 0.01 -1.34 0.00 0.00 -2.27 0.00 0.00 64.05 60.46 3knk n THR 60 Cb 0.63 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 3knk n THR 60 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 3knk n PHE 61 N -0.43 0.00 -3.28 4.78 1.16 -0.99 -2.31 117.46 116.38 3knk n PHE 61 Ca 0.01 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.20 3knk n PHE 61 Cb 0.44 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.25 3knk n PHE 61 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 3knk s THR 62 N 0.00 5.11 -0.14 1.97 -4.23 -0.97 -3.02 115.64 114.36 3knk s THR 62 Ca 0.00 1.04 -0.02 0.00 -1.18 0.00 0.00 61.69 61.54 3knk s THR 62 Cb 0.00 -3.85 -0.02 0.00 1.34 0.00 0.00 72.50 69.97 3knk s THR 62 CO 0.00 0.36 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.66 3knk s VAL 63 N 0.34 3.46 -0.20 2.29 1.01 -0.90 -1.19 120.40 125.21 3knk s VAL 63 Ca 0.28 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 3knk s VAL 63 Cb -0.16 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3knk s VAL 63 CO 0.13 0.51 0.08 -0.60 0.00 0.00 0.00 175.10 175.21 3knk s ARG 64 N 0.32 3.92 -0.05 2.72 3.52 0.07 -1.37 118.95 128.08 3knk s ARG 64 Ca -0.07 -0.36 0.01 0.00 -0.13 0.00 0.00 55.73 55.18 3knk s ARG 64 Cb -0.15 -3.28 0.02 0.00 -1.56 0.00 0.00 34.95 29.98 3knk s ARG 64 CO 0.04 0.15 -0.07 0.21 -0.81 0.00 0.00 175.30 174.82 3knk s LYS 65 N 0.73 1.07 -0.62 5.12 2.47 0.17 -2.39 119.74 126.29 3knk s LYS 65 Ca 0.04 -0.19 -0.26 0.00 -1.56 0.00 0.00 55.97 54.00 3knk s LYS 65 Cb -0.13 -1.00 0.04 0.00 -1.46 0.00 0.00 37.83 35.28 3knk s LYS 65 CO 0.02 -0.05 1.11 0.08 0.16 0.00 0.00 175.35 176.67 3knk s VAL 66 N 0.85 4.09 -0.81 4.02 1.01 -1.26 0.11 120.40 128.42 3knk s VAL 66 Ca -0.12 0.46 -0.13 0.00 0.00 0.00 0.00 61.98 62.19 3knk s VAL 66 Cb -0.15 -4.71 0.21 0.00 0.00 0.00 0.00 36.38 31.73 3knk s VAL 66 CO 0.01 -1.41 0.74 -0.55 0.00 0.00 0.00 175.10 173.89 3knk s SER 67 N 3.19 6.65 0.12 3.32 0.15 0.41 -4.87 113.70 122.67 3knk s SER 67 Ca 0.35 -2.68 0.00 0.00 0.70 0.00 0.00 55.95 54.32 3knk s SER 67 Cb -0.10 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 3knk s SER 67 CO 0.19 -0.57 0.00 -1.22 1.20 0.00 0.00 173.24 172.85 3knk n TYR 68 N 3.97 0.00 -0.13 3.44 0.53 -1.26 -2.76 117.16 120.95 3knk n TYR 68 Ca 0.13 0.00 0.04 0.00 -1.02 0.00 0.00 57.90 57.05 3knk n TYR 68 Cb 0.46 0.00 0.11 0.00 -1.03 0.00 0.00 39.34 38.88 3knk n TYR 68 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3knk n GLY 69 N 0.00 2.85 3.35 2.72 0.00 -1.26 -5.03 105.19 107.82 3knk n GLY 69 Ca 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 3knk n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knk s VAL 70 N -1.01 1.89 -0.17 1.61 1.01 -1.11 -5.13 120.40 117.48 3knk s VAL 70 Ca 0.17 -2.02 -0.14 0.00 0.00 0.00 0.00 61.98 59.98 3knk s VAL 70 Cb 0.09 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3knk s VAL 70 CO 0.11 -0.36 0.32 -0.83 0.00 0.00 0.00 175.10 174.34 3knk s GLY 71 N -2.85 2.19 0.09 4.51 0.00 -1.26 0.16 107.32 110.15 3knk s GLY 71 Ca 0.18 -0.46 0.09 0.00 0.00 0.00 0.00 44.72 44.53 3knk s GLY 71 CO 0.07 0.54 -0.24 0.14 0.00 0.00 0.00 173.10 173.61 3knk s VAL 72 N 0.68 1.95 0.03 1.40 1.01 0.30 -4.92 120.40 120.85 3knk s VAL 72 Ca 0.17 -1.50 0.02 0.00 0.00 0.00 0.00 61.98 60.68 3knk s VAL 72 Cb -0.13 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 3knk s VAL 72 CO 0.05 0.13 -0.08 -1.61 0.00 0.00 0.00 175.10 173.59 3knk s GLU 73 N -1.65 0.57 0.18 2.72 2.02 -1.26 0.43 118.70 121.71 3knk s GLU 73 Ca 0.10 -0.57 -0.02 0.00 0.02 0.00 0.00 54.97 54.50 3knk s GLU 73 Cb -0.10 -0.45 -0.04 0.00 0.10 0.00 0.00 34.13 33.65 3knk s GLU 73 CO 0.04 0.10 0.15 0.50 0.02 0.00 0.00 175.26 176.07 3knk s ARG 74 N -1.01 1.15 -0.11 1.61 3.52 -0.47 -4.93 118.95 118.72 3knk s ARG 74 Ca -0.04 -1.53 -0.03 0.00 -0.13 0.00 0.00 55.73 54.00 3knk s ARG 74 Cb -0.07 0.28 0.05 0.00 -1.56 0.00 0.00 34.95 33.66 3knk s ARG 74 CO 0.00 -0.38 0.14 0.42 -0.81 0.00 0.00 175.30 174.68 3knk s ILE 75 N -4.11 -0.22 0.19 4.11 1.01 -1.26 -2.11 121.20 118.81 3knk s ILE 75 Ca 0.33 0.22 0.09 0.00 0.00 0.00 0.00 60.65 61.28 3knk s ILE 75 Cb 0.06 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 42.12 3knk s ILE 75 CO 0.08 0.03 -0.06 -0.36 0.00 0.00 0.00 174.94 174.63 3knk s PHE 76 N 2.25 2.68 -1.11 3.97 2.99 -1.17 -4.94 117.98 122.66 3knk s PHE 76 Ca 0.04 -0.21 0.25 0.00 0.00 0.00 0.00 56.93 57.01 3knk s PHE 76 Cb -0.13 -1.29 0.47 0.00 0.00 0.00 0.00 43.02 42.07 3knk s PHE 76 CO -0.07 0.53 1.39 -0.35 -0.00 0.00 0.00 175.22 176.72 3knk n PRO 77 N -0.15 0.12 -1.02 0.24 -0.04 -1.26 -2.36 135.00 130.54 3knk n PRO 77 Ca -0.10 -0.08 -0.01 0.00 -0.04 0.00 0.00 63.50 63.28 3knk n PRO 77 Cb 0.56 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.52 3knk n PRO 77 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3knk n LEU 78 N -1.37 -0.04 -3.87 1.53 0.00 -1.26 -3.53 117.00 108.46 3knk n LEU 78 Ca 0.06 0.02 -0.10 0.00 0.00 0.00 0.00 56.01 55.99 3knk n LEU 78 Cb 0.34 -0.60 -0.08 0.00 0.00 0.00 0.00 43.42 43.08 3knk n LEU 78 CO 0.34 -0.05 -0.13 -1.00 0.00 0.00 0.00 177.39 176.56 3knk s HIS 79 N -2.02 0.13 0.00 1.96 3.76 -1.26 -4.83 115.29 113.03 3knk s HIS 79 Ca 0.00 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.47 3knk s HIS 79 Cb 0.00 -0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.62 3knk s HIS 79 CO 0.00 -0.45 0.00 0.45 -0.85 0.00 0.00 174.74 173.89 3knk n SER 80 N 0.44 -2.92 -0.05 1.40 2.88 -1.26 -4.73 113.62 109.38 3knk n SER 80 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 3knk n SER 80 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 3knk n SER 80 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3knk n PRO 81 N -0.68 0.00 0.00 -1.46 -0.02 -1.26 -4.59 135.00 126.99 3knk n PRO 81 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3knk n PRO 81 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3knk n PRO 81 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3knk n LEU 82 N 0.02 0.00 0.00 2.45 4.32 -1.26 -4.71 117.00 117.82 3knk n LEU 82 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3knk n LEU 82 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3knk n LEU 82 CO 0.00 0.00 0.00 2.30 -1.22 0.00 0.00 177.39 178.47 3knk n ILE 83 N 0.00 0.00 -2.82 -0.08 -5.35 -1.26 -4.36 119.36 105.48 3knk n ILE 83 Ca 0.00 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.28 3knk n ILE 83 Cb 0.00 0.00 0.05 0.00 -1.74 0.00 0.00 39.64 37.95 3knk n ILE 83 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3knk s GLN 84 N 0.00 2.43 0.00 6.28 -2.07 -1.26 -5.01 119.66 120.03 3knk s GLN 84 Ca 0.00 -1.16 0.00 0.00 -1.82 0.00 0.00 55.36 52.38 3knk s GLN 84 Cb 0.00 -2.58 0.00 0.00 -1.09 0.00 0.00 33.01 29.34 3knk s GLN 84 CO 0.00 -0.74 0.08 1.63 -1.32 0.00 0.00 175.29 174.94 3knk n LYS 85 N -2.26 0.00 -1.58 9.60 5.02 -1.26 -4.50 118.16 123.18 3knk n LYS 85 Ca 0.11 -0.08 -0.58 0.00 -2.02 0.00 0.00 58.31 55.74 3knk n LYS 85 Cb 0.60 -0.15 -0.08 0.00 -0.02 0.00 0.00 35.03 35.38 3knk n LYS 85 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 3knk n ILE 86 N 0.00 0.19 0.00 -0.18 3.06 -1.26 -4.62 119.36 116.54 3knk n ILE 86 Ca 0.00 -0.08 0.00 0.00 -2.50 0.00 0.00 62.75 60.17 3knk n ILE 86 Cb 0.38 -1.09 0.00 0.00 0.54 0.00 0.00 39.64 39.46 3knk n ILE 86 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 3knk n ASP 87 N 6.51 0.00 0.00 9.51 5.68 -1.23 -4.55 116.55 132.47 3knk n ASP 87 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.64 3knk n ASP 87 Cb 0.09 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 3knk n ASP 87 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 3knk n ILE 88 N -0.65 0.00 -2.99 2.12 2.08 -0.98 -4.78 119.36 114.16 3knk n ILE 88 Ca 0.00 0.00 -0.43 0.00 0.56 0.00 0.00 62.75 62.88 3knk n ILE 88 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 38.84 3knk n ILE 88 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3knk s VAL 89 N 3.39 4.63 0.13 1.39 1.01 -1.25 -4.98 120.40 124.72 3knk s VAL 89 Ca 0.00 0.08 -0.33 0.00 0.00 0.00 0.00 61.98 61.73 3knk s VAL 89 Cb 0.00 -4.39 -0.12 0.00 0.00 0.00 0.00 36.38 31.87 3knk s VAL 89 CO 0.00 -0.88 1.72 0.00 0.00 0.00 0.00 175.10 175.94 3knk n GLN 90 N 6.80 2.48 -0.75 2.72 6.02 -1.26 -4.13 117.38 129.26 3knk n GLN 90 Ca -0.01 0.90 0.00 0.00 -0.01 0.00 0.00 57.00 57.88 3knk n GLN 90 Cb 0.47 -2.73 0.00 0.00 1.02 0.00 0.00 30.24 29.00 3knk n GLN 90 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3knk n ARG 91 N 4.58 0.00 0.00 -1.09 1.74 -1.26 -4.52 116.66 116.10 3knk n ARG 91 Ca 0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 3knk n ARG 91 Cb 0.33 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.77 3knk n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knk n GLY 92 N 0.00 0.15 5.00 -0.13 0.00 0.90 -4.28 105.19 106.83 3knk n GLY 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3knk n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3knk n ARG 93 N -0.43 0.00 -2.52 1.61 0.63 -1.26 -3.59 116.66 111.11 3knk n ARG 93 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 3knk n ARG 93 Cb 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 3knk n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knk n ALA 94 N 0.00 -2.71 0.24 5.13 0.00 -1.26 -4.87 120.51 117.04 3knk n ALA 94 Ca 0.00 1.42 0.10 0.00 0.00 0.00 0.00 53.44 54.96 3knk n ALA 94 Cb 0.00 -3.03 0.63 0.00 0.00 0.00 0.00 19.45 17.05 3knk n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knk h ARG 95 N 4.28 0.00 0.00 0.00 2.47 -1.90 -3.46 114.38 115.77 3knk h ARG 95 Ca -0.29 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 57.86 3knk h ARG 95 Cb 0.65 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.86 3knk h ARG 95 CO 0.00 0.17 -0.41 2.89 0.56 0.00 0.00 179.97 183.18 3knk n ARG 96 N -3.72 0.93 0.00 0.04 1.85 -1.26 -5.11 116.66 109.38 3knk n ARG 96 Ca -0.02 -3.22 0.00 0.00 -1.00 0.00 0.00 57.85 53.62 3knk n ARG 96 Cb 0.28 0.84 0.00 0.00 -1.05 0.00 0.00 32.46 32.54 3knk n ARG 96 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3knk n ALA 97 N -1.61 0.00 -3.03 2.89 0.00 -1.26 -4.66 120.51 112.85 3knk n ALA 97 Ca -0.18 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.81 3knk n ALA 97 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.96 3knk n ALA 97 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3knk s LYS 98 N -0.11 3.06 -0.83 0.00 3.01 -1.26 -4.70 119.74 118.91 3knk s LYS 98 Ca 0.00 -1.19 0.00 0.00 -1.01 0.00 0.00 55.97 53.77 3knk s LYS 98 Cb 0.00 -4.24 0.35 0.00 -1.01 0.00 0.00 37.83 32.93 3knk s LYS 98 CO 0.00 -1.54 1.72 1.47 0.51 0.00 0.00 175.35 177.52 3knk n LEU 99 N 6.50 6.79 0.28 3.17 -0.00 -0.98 -4.81 117.00 127.94 3knk n LEU 99 Ca -0.08 -5.18 0.16 0.00 -0.00 0.00 0.00 56.01 50.91 3knk n LEU 99 Cb 0.43 -0.97 0.88 0.00 -0.00 0.00 0.00 43.42 43.76 3knk n LEU 99 CO 0.59 1.99 1.04 1.88 -0.00 0.00 0.00 177.39 182.89 3knk h TYR 100 N 3.38 0.00 -0.99 1.47 -1.99 -1.93 -3.21 116.97 113.69 3knk h TYR 100 Ca 0.48 0.00 0.17 0.00 2.00 0.00 0.00 58.73 61.38 3knk h TYR 100 Cb 0.29 0.00 -0.17 0.00 2.00 0.00 0.00 36.73 38.85 3knk h TYR 100 CO 1.16 0.00 -0.34 1.97 -0.00 0.00 0.00 178.16 180.95 3knk n PHE 101 N -2.72 0.15 -0.51 4.88 -1.74 -1.26 -0.06 117.46 116.20 3knk n PHE 101 Ca -0.02 1.22 0.41 0.00 -0.56 0.00 0.00 57.45 58.50 3knk n PHE 101 Cb 0.16 -0.95 0.64 0.00 1.52 0.00 0.00 39.48 40.85 3knk n PHE 101 CO 0.00 0.00 0.00 0.44 -0.56 0.00 0.00 176.76 176.64 3knk n ILE 102 N -5.52 0.00 -0.06 1.97 -5.35 -1.21 -1.68 119.36 107.50 3knk n ILE 102 Ca 0.12 1.27 -0.02 0.00 -0.27 0.00 0.00 62.75 63.85 3knk n ILE 102 Cb 0.43 -2.15 -0.02 0.00 -1.74 0.00 0.00 39.64 36.17 3knk n ILE 102 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 3knk h ARG 103 N 0.00 -0.01 -0.53 6.28 3.08 -0.77 0.28 114.38 122.71 3knk h ARG 103 Ca 0.73 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.93 3knk h ARG 103 Cb 3.16 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 33.20 3knk h ARG 103 CO -0.01 -0.01 0.42 -0.91 -1.07 0.00 0.00 179.97 178.40 3knk h ASN 104 N -0.01 0.00 -2.11 7.04 2.35 -1.56 -3.20 115.58 118.09 3knk h ASN 104 Ca 0.03 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.21 3knk h ASN 104 Cb 0.07 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 38.05 3knk h ASN 104 CO -0.15 0.00 -1.03 0.18 -1.65 0.00 0.00 177.43 174.77 3knk n LEU 105 N -4.16 0.38 -4.22 1.61 4.77 0.35 -5.04 117.00 110.69 3knk n LEU 105 Ca 0.10 -4.70 -0.42 0.00 -0.03 0.00 0.00 56.01 50.96 3knk n LEU 105 Cb 0.64 0.49 -0.07 0.00 -2.33 0.00 0.00 43.42 42.15 3knk n LEU 105 CO 0.34 2.02 0.08 -0.94 -1.33 0.00 0.00 177.39 177.56 3knk s SER 106 N -1.05 5.84 0.00 -1.43 1.04 0.70 -3.74 113.70 115.06 3knk s SER 106 Ca 0.35 -2.20 0.00 0.00 0.48 0.00 0.00 55.95 54.58 3knk s SER 106 Cb 0.14 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 64.23 3knk s SER 106 CO -0.12 -0.63 0.00 -0.90 0.98 0.00 0.00 173.24 172.57 3knk n ASP 107 N 4.53 0.00 0.23 7.02 5.75 -1.26 -4.88 116.55 127.94 3knk n ASP 107 Ca -0.02 0.00 0.10 0.00 -0.01 0.00 0.00 54.79 54.86 3knk n ASP 107 Cb 0.41 0.00 0.54 0.00 -1.03 0.00 0.00 41.12 41.04 3knk n ASP 107 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 3knk h ARG 108 N 0.00 0.00 0.00 0.11 2.43 -1.99 0.69 114.38 115.62 3knk h ARG 108 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3knk h ARG 108 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3knk h ARG 108 CO 0.00 0.00 -0.19 0.93 -1.51 0.00 0.00 179.97 179.20 3knk h GLU 109 N 0.00 0.00 -0.30 0.20 5.08 -1.92 -3.29 114.58 114.35 3knk h GLU 109 Ca 0.00 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3knk h GLU 109 Cb 0.58 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.75 3knk h GLU 109 CO 0.00 0.89 -0.27 0.82 -1.00 0.00 0.00 179.01 179.45 3knk h ILE 110 N -1.00 0.33 -0.03 3.13 2.04 0.23 0.54 117.51 122.75 3knk h ILE 110 Ca -0.05 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.82 3knk h ILE 110 Cb 0.94 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3knk h ILE 110 CO -0.03 0.00 0.52 0.03 0.00 0.00 0.00 178.15 178.67 3knk h ARG 111 N -0.25 0.00 0.00 2.37 3.08 -1.25 0.78 114.38 119.11 3knk h ARG 111 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3knk h ARG 111 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3knk h ARG 111 CO -0.44 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.00 3knk n ARG 112 N -2.83 0.00 -0.39 0.04 1.74 0.17 -4.43 116.66 110.97 3knk n ARG 112 Ca -0.01 0.30 0.32 0.00 -0.77 0.00 0.00 57.85 57.69 3knk n ARG 112 Cb 0.57 -0.78 0.62 0.00 -1.02 0.00 0.00 32.46 31.85 3knk n ARG 112 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3knk h LYS 113 N 0.00 0.18 -3.11 5.56 6.56 -0.30 -3.20 116.57 122.26 3knk h LYS 113 Ca 0.00 -0.01 -0.72 0.00 -1.06 0.00 0.00 60.65 58.86 3knk h LYS 113 Cb 0.00 -0.04 -0.34 0.00 -0.57 0.00 0.00 32.23 31.28 3knk h LYS 113 CO 0.00 0.12 0.05 1.28 -2.06 0.00 0.00 179.45 178.84 3knk n LEU 114 N -4.52 4.68 0.00 2.94 4.77 0.19 -4.79 117.00 120.27 3knk n LEU 114 Ca 0.30 -5.18 0.00 0.00 -0.03 0.00 0.00 56.01 51.10 3knk n LEU 114 Cb 1.21 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3knk n LEU 114 CO 0.28 1.64 0.00 0.54 -1.33 0.00 0.00 177.39 178.52 3knk n ARG 115 N 1.95 0.00 -3.60 3.23 5.12 -1.21 -3.93 116.66 118.22 3knk n ARG 115 Ca 0.24 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 56.13 3knk n ARG 115 Cb 0.37 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.62 3knk n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3knk s ALA 116 N -2.17 -2.18 -1.00 7.54 0.00 -1.26 -0.07 121.76 122.63 3knk s ALA 116 Ca 0.00 2.28 -0.20 0.00 0.00 0.00 0.00 51.96 54.04 3knk s ALA 116 Cb 0.00 -1.72 0.10 0.00 0.00 0.00 0.00 23.12 21.50 3knk s ALA 116 CO 0.00 -0.66 1.29 0.34 0.00 0.00 0.00 175.76 176.73 3knk s ASP 117 N 2.12 6.63 0.43 0.00 2.15 -1.26 -4.70 116.67 122.04 3knk s ASP 117 Ca -0.07 -1.93 0.22 0.00 0.43 0.00 0.00 52.55 51.20 3knk s ASP 117 Cb -0.07 -2.47 0.98 0.00 -0.30 0.00 0.00 42.92 41.06 3knk s ASP 117 CO -0.18 -1.20 1.87 0.03 -0.17 0.00 0.00 175.17 175.52 3knk h ARG 118 N 8.99 0.00 -1.01 4.34 3.08 -1.96 0.16 114.38 127.97 3knk h ARG 118 Ca 0.20 0.00 0.26 0.00 0.07 0.00 0.00 59.98 60.51 3knk h ARG 118 Cb 1.00 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.98 3knk h ARG 118 CO 1.24 0.26 0.67 -0.22 -1.07 0.00 0.00 179.97 180.86 3knk h LYS 119 N 0.00 0.31 0.00 0.04 3.11 -1.98 4.24 116.57 122.29 3knk h LYS 119 Ca -0.00 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.82 3knk h LYS 119 Cb 0.66 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 31.82 3knk h LYS 119 CO 0.03 0.20 -0.02 0.00 -2.81 0.00 0.00 179.45 176.86 3knk h ARG 120 N 0.32 0.00 -0.13 1.90 3.08 -1.18 -3.34 114.38 115.03 3knk h ARG 120 Ca 0.54 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.62 3knk h ARG 120 Cb 1.53 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.54 3knk h ARG 120 CO -0.20 0.18 -0.33 0.82 -1.07 0.00 0.00 179.97 179.37 3knk h ILE 121 N -1.00 0.00 -0.79 2.04 1.08 0.15 -2.64 117.51 116.35 3knk h ILE 121 Ca -0.00 0.00 0.32 0.00 -0.39 0.00 0.00 64.86 64.79 3knk h ILE 121 Cb 0.20 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 33.81 3knk h ILE 121 CO -0.00 0.00 0.44 0.47 -0.69 0.00 0.00 178.15 178.36 3knk n ASP 122 N -4.30 0.26 -0.32 1.72 8.00 1.37 0.00 116.55 123.28 3knk n ASP 122 Ca -0.03 1.25 0.14 0.00 0.71 0.00 0.00 54.79 56.85 3knk n ASP 122 Cb 0.22 -0.61 0.50 0.00 -0.02 0.00 0.00 41.12 41.21 3knk n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3knk n GLN 123 N -4.68 1.18 0.02 -1.24 10.64 -1.00 -3.26 117.38 119.03 3knk n GLN 123 Ca 0.29 -0.64 -0.03 0.00 -1.83 0.00 0.00 57.00 54.79 3knk n GLN 123 Cb 1.00 -1.49 -0.10 0.00 -0.86 0.00 0.00 30.24 28.80 3knk n GLN 123 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 3knk h ASP 124 N 1.55 0.00 -0.08 2.61 5.19 -0.44 -2.74 116.42 122.52 3knk h ASP 124 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3knk h ASP 124 Cb 0.46 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.97 3knk h ASP 124 CO 0.00 0.75 0.00 0.54 -3.12 0.00 0.00 179.24 177.41 3knk n ARG 125 N -2.99 1.22 -0.07 3.56 5.12 -1.17 -2.17 116.66 120.16 3knk n ARG 125 Ca -0.11 -0.34 -0.08 0.00 -1.93 0.00 0.00 57.85 55.39 3knk n ARG 125 Cb 0.92 -1.18 -0.10 0.00 -1.16 0.00 0.00 32.46 30.93 3knk n ARG 125 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3knk n ALA 126 N -0.32 1.66 -0.03 7.54 0.00 -1.10 -4.34 120.51 123.93 3knk n ALA 126 Ca 0.08 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.67 3knk n ALA 126 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 3knk n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knk n ALA 127 N -2.61 3.29 0.93 0.00 0.00 -0.92 -3.59 120.51 117.61 3knk n ALA 127 Ca -0.24 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.30 3knk n ALA 127 Cb 0.91 -1.08 0.30 0.00 0.00 0.00 0.00 19.45 19.57 3knk n ALA 127 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3knk n GLU 128 N 1.25 1.92 -1.24 0.00 -0.00 -1.26 -4.69 120.64 116.62 3knk n GLU 128 Ca 0.00 -1.40 -0.43 0.00 -0.00 0.00 0.00 57.16 55.33 3knk n GLU 128 Cb 0.44 -1.39 -0.05 0.00 -0.00 0.00 0.00 31.44 30.44 3knk n GLU 128 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3knk n ARG 129 N 0.62 1.68 0.00 3.44 3.00 -1.24 -3.99 116.66 120.18 3knk n ARG 129 Ca 0.16 -1.95 0.11 0.00 -0.00 0.00 0.00 57.85 56.17 3knk n ARG 129 Cb 0.38 -2.98 0.08 0.00 0.00 0.00 0.00 32.46 29.94 3knk n ARG 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3knk n ALA 130 N 7.41 2.65 -0.46 5.13 0.00 -1.26 -4.99 120.51 128.99 3knk n ALA 130 Ca 0.50 -0.67 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 3knk n ALA 130 Cb 0.40 -0.75 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 3knk n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knk n ALA 131 N 1.02 -0.07 -2.31 0.00 0.00 -1.26 -4.76 120.51 113.13 3knk n ALA 131 Ca 0.12 0.09 -0.38 0.00 0.00 0.00 0.00 53.44 53.27 3knk n ALA 131 Cb 0.54 -0.67 -0.02 0.00 0.00 0.00 0.00 19.45 19.29 3knk n ALA 131 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3knk n LYS 132 N 2.17 2.58 -0.63 0.00 4.01 -1.26 -4.77 118.16 120.25 3knk n LYS 132 Ca 0.16 -2.92 -0.06 0.00 -0.51 0.00 0.00 58.31 54.98 3knk n LYS 132 Cb -0.01 -3.55 -0.09 0.00 -0.51 0.00 0.00 35.03 30.86 3knk n LYS 132 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 3knk n GLU 133 N 8.19 1.26 -4.36 1.97 4.07 -1.26 -4.77 120.64 125.74 3knk n GLU 133 Ca 0.48 -0.53 -0.28 0.00 -0.06 0.00 0.00 57.16 56.76 3knk n GLU 133 Cb 0.46 -1.67 -0.11 0.00 -0.06 0.00 0.00 31.44 30.05 3knk n GLU 133 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 3knk s GLU 134 N 1.27 1.65 0.00 5.31 2.56 -1.26 -4.69 118.70 123.55 3knk s GLU 134 Ca 0.36 -1.36 0.00 0.00 0.00 0.00 0.00 54.97 53.97 3knk s GLU 134 Cb 0.17 -1.98 0.00 0.00 2.00 0.00 0.00 34.13 34.32 3knk s GLU 134 CO 0.00 0.44 0.00 0.00 -0.56 0.00 0.00 175.26 175.14 3knk n ALA 135 N 0.50 0.00 -1.00 6.30 0.00 -1.26 -4.78 120.51 120.26 3knk n ALA 135 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3knk n ALA 135 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3knk n ALA 135 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3knk n GLN 136 N 0.00 0.00 -3.50 0.00 -0.06 -1.26 -4.77 117.38 107.80 3knk n GLN 136 Ca 0.00 0.00 -0.38 0.00 -2.00 0.00 0.00 57.00 54.62 3knk n GLN 136 Cb 0.00 -0.47 -0.10 0.00 -4.06 0.00 0.00 30.24 25.61 3knk n GLN 136 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 3knk s LYS 137 N 0.00 3.99 0.00 3.69 -0.14 -1.26 -5.23 119.74 120.79 3knk s LYS 137 Ca 0.00 -0.14 0.00 0.00 -1.36 0.00 0.00 55.97 54.47 3knk s LYS 137 Cb 0.00 -3.65 0.00 0.00 -1.68 0.00 0.00 37.83 32.50 3knk s LYS 137 CO 0.00 -0.21 0.00 0.00 -0.76 0.00 0.00 175.35 174.38