#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knk s ARG 3 N 0.00 0.20 0.11 -0.72 3.52 -1.26 -1.66 118.95 119.14 3knk s ARG 3 Ca 0.00 0.14 -0.26 0.00 -0.13 0.00 0.00 55.73 55.48 3knk s ARG 3 Cb 0.00 0.10 0.07 0.00 -1.56 0.00 0.00 34.95 33.56 3knk s ARG 3 CO 0.00 -0.05 0.86 -1.17 -0.81 0.00 0.00 175.30 174.14 3knk s LEU 4 N -0.47 -0.31 0.66 -0.88 2.96 0.68 -4.84 118.68 116.48 3knk s LEU 4 Ca 0.06 -0.23 -0.17 0.00 -0.22 0.00 0.00 54.13 53.57 3knk s LEU 4 Cb -0.03 2.23 -0.03 0.00 0.50 0.00 0.00 46.19 48.86 3knk s LEU 4 CO -0.09 -0.86 0.91 0.29 -1.32 0.00 0.00 176.35 175.28 3knk n LYS 5 N -0.38 0.67 -3.64 1.98 5.02 -1.26 -2.41 118.16 118.14 3knk n LYS 5 Ca -0.08 0.28 -0.02 0.00 -2.02 0.00 0.00 58.31 56.47 3knk n LYS 5 Cb 0.61 -2.14 -0.04 0.00 -0.02 0.00 0.00 35.03 33.44 3knk n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3knk s ALA 6 N -1.67 -2.05 -0.11 7.82 0.00 -1.17 -4.60 121.76 119.99 3knk s ALA 6 Ca 0.74 2.35 -0.01 0.00 0.00 0.00 0.00 51.96 55.04 3knk s ALA 6 Cb -0.38 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.98 3knk s ALA 6 CO 0.49 -0.84 -0.08 0.71 0.00 0.00 0.00 175.76 176.04 3knk s TYR 7 N 2.68 2.93 -0.27 0.00 1.51 -1.22 -3.28 117.35 119.70 3knk s TYR 7 Ca -0.07 -0.25 -0.38 0.00 -1.01 0.00 0.00 57.07 55.37 3knk s TYR 7 Cb -0.11 -1.82 -0.14 0.00 -0.11 0.00 0.00 41.96 39.78 3knk s TYR 7 CO -0.19 0.07 1.89 0.66 -1.11 0.00 0.00 175.55 176.88 3knk n TYR 8 N 2.98 1.97 -2.86 2.71 0.53 -1.26 -3.39 117.16 117.84 3knk n TYR 8 Ca -0.18 0.38 -0.42 0.00 -1.02 0.00 0.00 57.90 56.67 3knk n TYR 8 Cb 0.53 -2.51 -0.04 0.00 -1.03 0.00 0.00 39.34 36.29 3knk n TYR 8 CO 0.00 0.00 0.00 0.50 -1.02 0.00 0.00 176.86 176.34 3knk s ARG 9 N 4.38 4.22 0.14 -0.72 3.52 0.50 -4.91 118.95 126.07 3knk s ARG 9 Ca 1.01 1.02 -0.29 0.00 -0.13 0.00 0.00 55.73 57.34 3knk s ARG 9 Cb -0.97 -3.63 -0.05 0.00 -1.56 0.00 0.00 34.95 28.75 3knk s ARG 9 CO 0.59 -0.49 1.57 0.93 -0.81 0.00 0.00 175.30 177.10 3knk h GLU 10 N 7.57 -0.42 0.00 5.12 3.07 -1.91 -3.39 114.58 124.62 3knk h GLU 10 Ca -0.24 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.65 3knk h GLU 10 Cb 1.10 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 3knk h GLU 10 CO 0.88 -0.28 0.00 0.41 -1.40 0.00 0.00 179.01 178.62 3knk n GLY 11 N -1.42 0.32 3.67 -3.84 0.00 -1.26 -4.91 105.19 97.74 3knk n GLY 11 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 3knk n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3knk s GLU 12 N 0.00 2.41 -1.51 1.61 8.01 -1.26 -4.66 118.70 123.30 3knk s GLU 12 Ca 0.00 -1.28 -0.03 0.00 0.01 0.00 0.00 54.97 53.67 3knk s GLU 12 Cb 0.00 -2.27 0.01 0.00 -4.31 0.00 0.00 34.13 27.56 3knk s GLU 12 CO 0.00 0.40 0.31 1.63 0.01 0.00 0.00 175.26 177.60 3knk n LYS 13 N -0.71 -3.29 -0.33 1.61 5.02 -1.26 -4.77 118.16 114.43 3knk n LYS 13 Ca -0.08 0.83 -0.10 0.00 -2.02 0.00 0.00 58.31 56.95 3knk n LYS 13 Cb 0.58 -5.57 -0.07 0.00 -0.02 0.00 0.00 35.03 29.94 3knk n LYS 13 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3knk h PRO 14 N -0.69 -0.11 -0.18 1.97 0.11 -1.98 3.51 132.00 134.63 3knk h PRO 14 Ca -0.47 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.70 3knk h PRO 14 Cb 1.33 0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.40 3knk h PRO 14 CO 0.53 -0.07 -0.25 1.03 -0.21 0.00 0.00 178.00 179.03 3knk h SER 15 N -0.11 -0.79 0.44 -2.05 0.87 -1.99 0.48 113.55 110.39 3knk h SER 15 Ca 0.17 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 3knk h SER 15 Cb 0.50 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 3knk h SER 15 CO -0.84 -0.29 0.00 0.00 -0.53 0.00 0.00 176.83 175.17 3knk n ALA 16 N -2.77 2.15 -0.04 6.23 0.00 0.88 -3.30 120.51 123.67 3knk n ALA 16 Ca -0.02 -0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.22 3knk n ALA 16 Cb 0.29 -1.36 -0.09 0.00 0.00 0.00 0.00 19.45 18.29 3knk n ALA 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3knk h LEU 17 N 0.00 -0.04 -1.49 0.00 5.85 0.86 -3.26 115.31 117.23 3knk h LEU 17 Ca 0.00 -0.61 0.01 0.00 0.84 0.00 0.00 57.88 58.12 3knk h LEU 17 Cb 0.22 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3knk h LEU 17 CO 0.00 0.73 0.35 0.03 -0.34 0.00 0.00 178.44 179.20 3knk h ARG 18 N -0.94 0.68 -0.38 1.25 3.08 -1.45 -2.30 114.38 114.32 3knk h ARG 18 Ca -0.00 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.08 3knk h ARG 18 Cb 0.65 -0.15 -0.09 0.00 0.08 0.00 0.00 29.97 30.45 3knk h ARG 18 CO 0.01 0.45 -0.27 0.00 -1.07 0.00 0.00 179.97 179.09 3knk h ARG 19 N 0.70 -0.20 -0.02 0.04 3.08 -1.63 0.33 114.38 116.68 3knk h ARG 19 Ca 0.20 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3knk h ARG 19 Cb -0.06 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3knk h ARG 19 CO -0.04 -0.13 0.00 0.00 -1.07 0.00 0.00 179.97 178.72 3knk n ALA 20 N -2.93 1.36 -0.88 0.04 0.00 -0.87 -4.69 120.51 112.54 3knk n ALA 20 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3knk n ALA 20 Cb 0.32 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3knk n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knk n GLY 21 N -0.09 1.13 3.94 0.00 0.00 0.11 -5.02 105.19 105.26 3knk n GLY 21 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3knk n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knk s LYS 22 N -0.05 2.69 -0.09 1.61 3.01 -1.21 -2.97 119.74 122.74 3knk s LYS 22 Ca 0.00 -0.28 0.02 0.00 -1.01 0.00 0.00 55.97 54.71 3knk s LYS 22 Cb 0.00 -2.33 0.01 0.00 -1.01 0.00 0.00 37.83 34.50 3knk s LYS 22 CO 0.00 -0.77 -0.16 -1.17 0.51 0.00 0.00 175.35 173.76 3knk s LEU 23 N -4.95 1.78 0.34 3.17 2.96 -1.22 -4.01 118.68 116.74 3knk s LEU 23 Ca 0.55 -0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 54.03 3knk s LEU 23 Cb -0.10 -1.06 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 3knk s LEU 23 CO 0.43 0.06 0.57 -2.84 -1.32 0.00 0.00 176.35 173.25 3knk s PRO 24 N 0.70 3.55 0.19 0.98 0.02 -1.26 0.17 135.00 139.35 3knk s PRO 24 Ca -0.13 -0.14 -0.07 0.00 0.02 0.00 0.00 61.00 60.68 3knk s PRO 24 Cb -0.16 -2.63 0.03 0.00 0.02 0.00 0.00 34.50 31.76 3knk s PRO 24 CO 0.03 0.14 0.38 0.41 -0.33 0.00 0.00 177.00 177.63 3knk n GLY 25 N -1.48 1.54 3.14 0.52 0.00 -1.19 -3.03 105.19 104.70 3knk n GLY 25 Ca -0.03 -1.15 -0.08 0.00 0.00 0.00 0.00 46.02 44.77 3knk n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knk s VAL 26 N -2.56 0.17 -0.05 1.61 0.11 -1.09 -2.52 120.40 116.07 3knk s VAL 26 Ca 0.08 -1.64 0.03 0.00 -2.93 0.00 0.00 61.98 57.53 3knk s VAL 26 Cb -0.02 -1.57 0.00 0.00 -1.53 0.00 0.00 36.38 33.26 3knk s VAL 26 CO 0.06 -0.79 -0.14 0.00 -3.33 0.00 0.00 175.10 170.90 3knk s MET 27 N -3.93 1.67 0.16 1.54 0.23 -1.02 -1.82 119.30 116.14 3knk s MET 27 Ca 0.10 -0.49 -0.13 0.00 -1.03 0.00 0.00 55.69 54.13 3knk s MET 27 Cb 0.07 -1.42 0.01 0.00 -1.53 0.00 0.00 34.83 31.96 3knk s MET 27 CO -0.08 0.13 0.39 1.52 -2.03 0.00 0.00 175.02 174.95 3knk s TYR 28 N 0.33 0.06 0.00 3.16 -0.85 -1.15 -3.04 117.35 115.86 3knk s TYR 28 Ca -0.09 -0.41 0.00 0.00 -0.52 0.00 0.00 57.07 56.05 3knk s TYR 28 Cb -0.13 0.17 0.00 0.00 0.38 0.00 0.00 41.96 42.38 3knk s TYR 28 CO 0.03 -0.77 0.00 0.27 -1.52 0.00 0.00 175.55 173.56 3knk n ASN 29 N -0.25 0.00 0.00 -0.18 6.94 -1.16 -2.39 115.26 118.23 3knk n ASN 29 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.45 3knk n ASN 29 Cb 0.63 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.05 3knk n ASN 29 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 3knk n ARG 30 N 0.00 0.00 0.21 -3.83 0.63 -1.26 -4.63 116.66 107.78 3knk n ARG 30 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 3knk n ARG 30 Cb 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 3knk n ARG 30 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3knk h HIS 31 N 0.00 -0.50 -4.04 -0.14 -0.00 -1.99 -3.45 115.15 105.03 3knk h HIS 31 Ca 0.00 -0.01 -0.53 0.00 -0.00 0.00 0.00 60.37 59.83 3knk h HIS 31 Cb 0.00 0.17 0.10 0.00 -0.00 0.00 0.00 27.41 27.68 3knk h HIS 31 CO 0.00 -0.31 0.52 -1.17 -0.00 0.00 0.00 177.93 176.97 3knk s LEU 32 N -6.85 3.86 0.00 2.43 2.96 -1.26 -4.99 118.68 114.83 3knk s LEU 32 Ca -0.08 2.48 0.00 0.00 -0.22 0.00 0.00 54.13 56.31 3knk s LEU 32 Cb 0.01 -4.35 0.00 0.00 0.50 0.00 0.00 46.19 42.35 3knk s LEU 32 CO 0.24 -1.32 0.48 -3.20 -1.32 0.00 0.00 176.35 171.22 3knk n ASN 33 N -0.97 0.00 -4.77 3.68 2.85 -1.19 -2.96 115.26 111.89 3knk n ASN 33 Ca 0.10 -0.99 -0.38 0.00 -0.11 0.00 0.00 54.58 53.20 3knk n ASN 33 Cb 0.47 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.47 3knk n ASN 33 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3knk s ARG 34 N 0.00 4.20 0.07 1.20 1.81 -1.17 -4.80 118.95 120.26 3knk s ARG 34 Ca 0.00 1.76 -0.30 0.00 -1.72 0.00 0.00 55.73 55.48 3knk s ARG 34 Cb 0.00 -2.75 -0.05 0.00 -0.45 0.00 0.00 34.95 31.70 3knk s ARG 34 CO 0.00 -0.17 0.95 0.15 -0.68 0.00 0.00 175.30 175.55 3knk s LYS 35 N -2.17 4.63 0.00 3.54 1.02 -1.26 -2.42 119.74 123.08 3knk s LYS 35 Ca 0.55 1.41 0.00 0.00 0.02 0.00 0.00 55.97 57.94 3knk s LYS 35 Cb -0.29 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.61 3knk s LYS 35 CO 0.37 0.12 0.00 1.33 -0.92 0.00 0.00 175.35 176.25 3knk n VAL 36 N 3.19 0.00 0.00 3.17 0.24 -1.05 -0.37 118.33 123.51 3knk n VAL 36 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 3knk n VAL 36 Cb 0.50 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 3knk n VAL 36 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3knk n TYR 37 N 0.00 0.00 0.00 6.34 0.18 -1.22 -3.15 117.16 119.31 3knk n TYR 37 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3knk n TYR 37 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3knk n TYR 37 CO 0.00 0.00 0.00 1.33 -2.08 0.00 0.00 176.86 176.11 3knk n VAL 38 N -0.24 0.00 -3.53 -3.48 0.24 0.44 -3.36 118.33 108.40 3knk n VAL 38 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 3knk n VAL 38 Cb 0.00 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.25 3knk n VAL 38 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3knk s ASP 39 N 1.00 0.78 0.07 -1.34 2.15 -1.26 -3.44 116.67 114.63 3knk s ASP 39 Ca 0.00 0.17 -0.15 0.00 0.43 0.00 0.00 52.55 53.00 3knk s ASP 39 Cb 0.00 0.64 -0.03 0.00 -0.30 0.00 0.00 42.92 43.23 3knk s ASP 39 CO 0.00 -0.29 0.81 0.18 -0.17 0.00 0.00 175.17 175.70 3knk n LEU 40 N 5.34 -0.50 -0.20 -1.34 4.77 -1.16 0.21 117.00 124.14 3knk n LEU 40 Ca -0.05 0.92 -0.07 0.00 -0.03 0.00 0.00 56.01 56.78 3knk n LEU 40 Cb 0.50 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.46 3knk n LEU 40 CO 0.06 -0.72 1.08 1.62 -1.33 0.00 0.00 177.39 178.10 3knk h VAL 41 N 0.00 1.16 -0.06 4.08 3.04 -1.98 0.81 116.25 123.31 3knk h VAL 41 Ca 0.07 -0.35 -0.00 0.00 -1.01 0.00 0.00 66.70 65.41 3knk h VAL 41 Cb 0.19 0.38 -0.00 0.00 -2.01 0.00 0.00 31.29 29.85 3knk h VAL 41 CO -0.44 0.17 0.03 -0.33 -1.01 0.00 0.00 177.57 175.98 3knk h GLU 42 N 0.76 0.08 0.58 4.17 5.08 0.12 -2.38 114.58 122.99 3knk h GLU 42 Ca 0.20 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 3knk h GLU 42 Cb -0.03 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.21 3knk h GLU 42 CO -0.04 0.19 -0.28 0.35 -1.00 0.00 0.00 179.01 178.23 3knk h PHE 43 N -0.05 -0.72 0.06 4.33 3.04 0.28 -3.24 116.94 120.65 3knk h PHE 43 Ca 0.02 -0.02 0.03 0.00 3.98 0.00 0.00 57.97 61.98 3knk h PHE 43 Cb 0.14 0.24 -0.05 0.00 2.56 0.00 0.00 35.95 38.84 3knk h PHE 43 CO -0.03 -0.43 -0.35 0.22 -2.02 0.00 0.00 178.31 175.70 3knk h ASP 44 N -0.84 -1.05 -0.85 0.41 1.82 -0.88 0.07 116.42 115.11 3knk h ASP 44 Ca -0.08 0.13 0.09 0.00 -0.39 0.00 0.00 57.03 56.78 3knk h ASP 44 Cb 0.62 0.41 -0.11 0.00 0.68 0.00 0.00 39.33 40.92 3knk h ASP 44 CO 0.13 -0.43 -0.45 0.29 -1.61 0.00 0.00 179.24 177.18 3knk n LYS 45 N -5.43 -0.32 0.00 0.28 5.02 -0.90 0.49 118.16 117.31 3knk n LYS 45 Ca -0.06 1.29 0.00 0.00 -2.02 0.00 0.00 58.31 57.52 3knk n LYS 45 Cb 0.35 -1.91 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 3knk n LYS 45 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3knk n VAL 46 N -5.13 0.00 -0.27 -0.18 0.31 -0.98 -3.73 118.33 108.35 3knk n VAL 46 Ca 0.04 1.16 -0.03 0.00 -0.01 0.00 0.00 64.34 65.50 3knk n VAL 46 Cb 0.26 -2.13 -0.00 0.00 -0.91 0.00 0.00 33.84 31.06 3knk n VAL 46 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3knk n PHE 47 N -1.02 -0.08 0.00 3.52 -0.00 -0.02 -2.81 117.46 117.04 3knk n PHE 47 Ca 0.00 0.84 0.00 0.00 -0.00 0.00 0.00 57.45 58.29 3knk n PHE 47 Cb 0.00 -0.69 0.00 0.00 -0.00 0.00 0.00 39.48 38.79 3knk n PHE 47 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 3knk n ARG 48 N -4.95 0.00 0.00 -4.13 5.12 0.18 0.39 116.66 113.27 3knk n ARG 48 Ca 0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 3knk n ARG 48 Cb 0.24 -0.38 0.00 0.00 -1.16 0.00 0.00 32.46 31.17 3knk n ARG 48 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3knk n GLN 49 N 0.00 0.00 -0.04 5.56 6.02 -1.21 -2.44 117.38 125.28 3knk n GLN 49 Ca 0.00 0.94 -0.11 0.00 -0.01 0.00 0.00 57.00 57.82 3knk n GLN 49 Cb 0.00 -1.41 -0.07 0.00 1.02 0.00 0.00 30.24 29.78 3knk n GLN 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3knk h ALA 50 N -0.97 -0.73 -0.96 -1.58 0.00 -1.45 -3.48 119.26 110.10 3knk h ALA 50 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3knk h ALA 50 Cb 0.00 0.94 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3knk h ALA 50 CO 0.00 -0.90 0.00 0.45 0.00 0.00 0.00 179.25 178.80 3knk n SER 51 N -4.67 -2.88 -4.28 0.00 2.88 1.27 -3.87 113.62 102.08 3knk n SER 51 Ca -0.04 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.06 3knk n SER 51 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 3knk n SER 51 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3knk n ILE 52 N -0.51 4.73 0.00 2.46 -6.64 -1.26 -4.08 119.36 114.06 3knk n ILE 52 Ca 0.00 -5.49 0.00 0.00 -1.77 0.00 0.00 62.75 55.49 3knk n ILE 52 Cb 0.00 -2.49 0.00 0.00 -1.44 0.00 0.00 39.64 35.71 3knk n ILE 52 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 3knk n HIS 53 N 2.42 0.00 -3.78 4.28 8.25 -1.25 -4.83 115.22 120.30 3knk n HIS 53 Ca 0.24 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.58 3knk n HIS 53 Cb 0.38 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.37 3knk n HIS 53 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3knk s HIS 54 N -0.01 -0.24 0.95 4.41 3.76 -1.26 -4.87 115.29 118.04 3knk s HIS 54 Ca 0.00 0.60 -0.12 0.00 -0.15 0.00 0.00 55.06 55.39 3knk s HIS 54 Cb 0.00 0.06 0.09 0.00 1.11 0.00 0.00 32.58 33.84 3knk s HIS 54 CO 0.00 -0.13 0.69 0.28 -0.85 0.00 0.00 174.74 174.73 3knk n VAL 55 N 3.25 0.00 -4.53 -0.90 0.31 -1.26 -4.30 118.33 110.89 3knk n VAL 55 Ca -0.16 -0.13 -0.26 0.00 -0.01 0.00 0.00 64.34 63.78 3knk n VAL 55 Cb 0.57 -0.77 -0.08 0.00 -0.91 0.00 0.00 33.84 32.65 3knk n VAL 55 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3knk s ILE 56 N -2.48 0.58 -0.05 2.52 -1.09 0.20 0.12 121.20 121.01 3knk s ILE 56 Ca 0.61 -2.00 -0.12 0.00 -2.23 0.00 0.00 60.65 56.91 3knk s ILE 56 Cb -0.22 -2.31 0.02 0.00 -1.58 0.00 0.00 42.46 38.38 3knk s ILE 56 CO 0.64 0.00 0.27 -0.69 -1.23 0.00 0.00 174.94 173.93 3knk s VAL 57 N -3.18 0.04 -0.02 2.92 1.01 -0.66 0.42 120.40 120.93 3knk s VAL 57 Ca 0.22 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.88 3knk s VAL 57 Cb 0.02 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 3knk s VAL 57 CO 0.14 -0.18 -0.04 -0.76 0.00 0.00 0.00 175.10 174.26 3knk s LEU 58 N -0.78 3.30 -0.81 3.92 1.43 -0.52 -0.23 118.68 124.99 3knk s LEU 58 Ca -0.09 -0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 3knk s LEU 58 Cb -0.04 -1.84 0.20 0.00 0.03 0.00 0.00 46.19 44.54 3knk s LEU 58 CO 0.02 0.31 0.68 -1.61 0.23 0.00 0.00 176.35 175.98 3knk s GLU 59 N -1.27 3.10 1.01 1.70 2.02 -1.01 -2.04 118.70 122.21 3knk s GLU 59 Ca 0.16 -2.98 -0.13 0.00 0.02 0.00 0.00 54.97 52.05 3knk s GLU 59 Cb -0.11 -3.94 0.13 0.00 0.10 0.00 0.00 34.13 30.31 3knk s GLU 59 CO 0.06 -1.24 0.71 1.28 0.02 0.00 0.00 175.26 176.10 3knk n LEU 60 N 2.83 0.40 0.04 1.80 7.99 -1.20 -3.02 117.00 125.83 3knk n LEU 60 Ca 0.17 0.19 0.13 0.00 -0.01 0.00 0.00 56.01 56.49 3knk n LEU 60 Cb 0.38 -1.27 0.45 0.00 -0.11 0.00 0.00 43.42 42.87 3knk n LEU 60 CO 0.35 -3.00 0.80 -2.65 -1.51 0.00 0.00 177.39 171.38 3knk n PRO 61 N -3.24 0.12 -0.94 3.23 -0.02 -1.26 -3.43 135.00 129.45 3knk n PRO 61 Ca 0.07 0.08 -0.20 0.00 -2.02 0.00 0.00 63.50 61.43 3knk n PRO 61 Cb 0.54 -1.62 0.07 0.00 -0.02 0.00 0.00 33.50 32.48 3knk n PRO 61 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3knk n ASP 62 N -1.81 5.68 0.00 2.55 8.00 -1.26 -4.85 116.55 124.87 3knk n ASP 62 Ca 0.06 -3.20 0.00 0.00 0.71 0.00 0.00 54.79 52.36 3knk n ASP 62 Cb 0.38 -0.92 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 3knk n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3knk n GLY 63 N -0.22 0.77 2.18 0.44 0.00 -1.22 -4.94 105.19 102.20 3knk n GLY 63 Ca 0.40 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.35 3knk n GLY 63 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3knk n GLN 64 N -1.55 0.14 -2.72 1.61 1.13 -1.26 -4.81 117.38 109.91 3knk n GLN 64 Ca 0.00 -0.33 0.01 0.00 -1.94 0.00 0.00 57.00 54.74 3knk n GLN 64 Cb 0.00 -0.96 0.01 0.00 0.11 0.00 0.00 30.24 29.40 3knk n GLN 64 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3knk s SER 65 N -1.55 -0.22 -0.17 1.08 0.15 -1.23 -3.75 113.70 108.01 3knk s SER 65 Ca 0.15 -0.13 -0.06 0.00 0.70 0.00 0.00 55.95 56.61 3knk s SER 65 Cb -0.03 0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.53 3knk s SER 65 CO 0.13 -0.02 0.03 -0.76 1.20 0.00 0.00 173.24 173.82 3knk s LEU 66 N 1.85 3.66 -0.20 3.45 1.02 -0.86 -4.83 118.68 122.77 3knk s LEU 66 Ca 0.15 0.03 -0.29 0.00 0.02 0.00 0.00 54.13 54.04 3knk s LEU 66 Cb 0.05 -1.91 -0.02 0.00 0.02 0.00 0.00 46.19 44.33 3knk s LEU 66 CO -0.15 0.18 1.39 -2.16 0.02 0.00 0.00 176.35 175.62 3knk s PRO 67 N 0.34 4.05 0.20 1.29 0.04 -1.26 -1.44 135.00 138.22 3knk s PRO 67 Ca 0.01 1.60 0.01 0.00 0.04 0.00 0.00 61.00 62.66 3knk s PRO 67 Cb -0.13 -3.87 -0.05 0.00 0.04 0.00 0.00 34.50 30.49 3knk s PRO 67 CO 0.01 -0.95 0.06 0.95 0.04 0.00 0.00 177.00 177.10 3knk s THR 68 N 4.14 0.44 -0.02 1.26 -4.23 0.17 -0.60 115.64 116.79 3knk s THR 68 Ca 0.60 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 3knk s THR 68 Cb -0.22 -2.32 0.03 0.00 1.34 0.00 0.00 72.50 71.33 3knk s THR 68 CO 0.22 -0.26 0.02 -0.76 -0.54 0.00 0.00 174.62 173.29 3knk s LEU 69 N -3.19 1.09 -0.30 4.79 1.43 -0.83 0.63 118.68 122.29 3knk s LEU 69 Ca 0.30 0.01 -0.28 0.00 -1.03 0.00 0.00 54.13 53.13 3knk s LEU 69 Cb 0.07 -0.13 -0.02 0.00 0.03 0.00 0.00 46.19 46.13 3knk s LEU 69 CO 0.08 -0.12 1.88 -0.69 0.23 0.00 0.00 176.35 177.72 3knk s VAL 70 N 1.08 3.39 0.14 -1.59 1.01 -1.25 -0.35 120.40 122.82 3knk s VAL 70 Ca -0.09 0.39 -0.05 0.00 0.00 0.00 0.00 61.98 62.24 3knk s VAL 70 Cb -0.13 -3.52 -0.15 0.00 0.00 0.00 0.00 36.38 32.58 3knk s VAL 70 CO -0.02 -0.32 1.34 0.03 0.00 0.00 0.00 175.10 176.13 3knk h ARG 71 N 13.23 0.46 -1.08 2.72 2.47 -1.93 -3.46 114.38 126.80 3knk h ARG 71 Ca -0.35 -0.44 0.18 0.00 -1.26 0.00 0.00 59.98 58.10 3knk h ARG 71 Cb 1.18 0.11 -0.29 0.00 -1.65 0.00 0.00 29.97 29.33 3knk h ARG 71 CO 1.01 1.08 0.50 1.14 0.56 0.00 0.00 179.97 184.27 3knk s GLN 72 N -3.45 0.20 -0.46 0.04 -2.07 -1.26 -5.01 119.66 107.65 3knk s GLN 72 Ca -0.06 0.39 -0.16 0.00 -1.82 0.00 0.00 55.36 53.71 3knk s GLN 72 Cb 0.09 0.11 0.05 0.00 -1.09 0.00 0.00 33.01 32.18 3knk s GLN 72 CO 0.86 -0.05 0.42 0.08 -1.32 0.00 0.00 175.29 175.29 3knk s VAL 73 N 1.54 5.16 -1.26 3.63 1.01 -1.26 -3.01 120.40 126.20 3knk s VAL 73 Ca -0.06 -0.79 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 3knk s VAL 73 Cb -0.03 -4.11 0.12 0.00 0.00 0.00 0.00 36.38 32.36 3knk s VAL 73 CO -0.14 -0.55 1.62 0.59 0.00 0.00 0.00 175.10 176.63 3knk n ASN 74 N 5.41 5.04 -4.31 3.32 4.13 -0.49 -4.97 115.26 123.39 3knk n ASN 74 Ca -0.10 -2.95 -0.32 0.00 1.68 0.00 0.00 54.58 52.88 3knk n ASN 74 Cb 0.45 -1.65 0.18 0.00 -1.54 0.00 0.00 39.78 37.22 3knk n ASN 74 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3knk n LEU 75 N 6.79 -1.98 -4.75 3.41 7.99 -1.26 -2.21 117.00 125.00 3knk n LEU 75 Ca 0.43 -0.08 -0.36 0.00 -0.01 0.00 0.00 56.01 55.99 3knk n LEU 75 Cb 0.44 -1.02 -0.07 0.00 -0.11 0.00 0.00 43.42 42.66 3knk n LEU 75 CO 0.71 -3.16 -0.04 -0.62 -1.51 0.00 0.00 177.39 172.76 3knk s ASP 76 N -1.92 6.42 0.13 -1.43 2.15 0.43 -4.40 116.67 118.06 3knk s ASP 76 Ca 0.57 0.49 -0.26 0.00 0.43 0.00 0.00 52.55 53.79 3knk s ASP 76 Cb -0.14 -2.16 -0.03 0.00 -0.30 0.00 0.00 42.92 40.28 3knk s ASP 76 CO 0.66 0.15 1.62 0.11 -0.17 0.00 0.00 175.17 177.54 3knk h LYS 77 N 6.42 -0.39 -5.68 4.34 1.79 -1.94 -3.03 116.57 118.08 3knk h LYS 77 Ca -0.43 0.03 -0.60 0.00 -2.18 0.00 0.00 60.65 57.47 3knk h LYS 77 Cb 1.17 0.09 -0.10 0.00 -1.58 0.00 0.00 32.23 31.81 3knk h LYS 77 CO 0.73 -0.26 0.33 -0.98 -1.08 0.00 0.00 179.45 178.20 3knk s ARG 78 N -6.01 4.09 0.00 3.15 3.03 -1.26 -3.84 118.95 118.11 3knk s ARG 78 Ca -0.15 0.69 0.00 0.00 2.03 0.00 0.00 55.73 58.30 3knk s ARG 78 Cb 0.10 -3.67 0.00 0.00 -1.03 0.00 0.00 34.95 30.35 3knk s ARG 78 CO 0.66 -0.53 0.00 -2.13 -1.13 0.00 0.00 175.30 172.17 3knk n ARG 79 N 5.95 0.00 -0.13 3.89 0.00 -1.26 -4.44 116.66 120.68 3knk n ARG 79 Ca 0.03 0.40 0.00 0.00 -0.00 0.00 0.00 57.85 58.27 3knk n ARG 79 Cb 0.48 -3.38 0.00 0.00 0.00 0.00 0.00 32.46 29.56 3knk n ARG 79 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 3knk n ARG 80 N -2.86 -1.76 -2.23 -0.14 1.85 -1.14 -4.87 116.66 105.50 3knk n ARG 80 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.44 3knk n ARG 80 Cb 0.00 -2.55 -0.03 0.00 -1.05 0.00 0.00 32.46 28.83 3knk n ARG 80 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3knk s ARG 81 N -0.25 4.40 -0.17 2.89 3.52 -1.25 -4.49 118.95 123.60 3knk s ARG 81 Ca 0.00 2.05 -0.29 0.00 -0.13 0.00 0.00 55.73 57.35 3knk s ARG 81 Cb 0.00 -3.19 -0.04 0.00 -1.56 0.00 0.00 34.95 30.16 3knk s ARG 81 CO 0.00 -0.23 1.70 -1.25 -0.81 0.00 0.00 175.30 174.71 3knk s PRO 82 N -0.22 3.83 -0.09 5.12 0.04 -1.26 0.16 135.00 142.59 3knk s PRO 82 Ca 0.56 1.86 -0.27 0.00 0.04 0.00 0.00 61.00 63.18 3knk s PRO 82 Cb -0.36 -4.06 -0.24 0.00 0.04 0.00 0.00 34.50 29.88 3knk s PRO 82 CO 0.39 -1.26 0.98 0.93 0.04 0.00 0.00 177.00 178.08 3knk h GLU 83 N 10.87 0.03 -2.64 4.56 4.39 -1.65 -3.45 114.58 126.69 3knk h GLU 83 Ca -0.36 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.17 3knk h GLU 83 Cb 1.17 0.01 -0.29 0.00 -0.10 0.00 0.00 28.75 29.54 3knk h GLU 83 CO 0.98 0.82 -0.41 -1.58 -1.16 0.00 0.00 179.01 177.66 3knk s HIS 84 N -3.05 -0.66 0.17 4.33 5.04 -1.16 -4.46 115.29 115.50 3knk s HIS 84 Ca -0.17 1.32 0.05 0.00 -1.54 0.00 0.00 55.06 54.72 3knk s HIS 84 Cb -0.01 0.19 -0.04 0.00 0.04 0.00 0.00 32.58 32.77 3knk s HIS 84 CO 0.69 -0.43 0.14 0.14 -2.34 0.00 0.00 174.74 172.95 3knk s VAL 85 N 2.41 4.47 0.31 0.89 -7.23 -1.17 -1.40 120.40 118.69 3knk s VAL 85 Ca -0.02 -1.12 0.08 0.00 -1.81 0.00 0.00 61.98 59.11 3knk s VAL 85 Cb -0.12 -3.30 -0.04 0.00 0.56 0.00 0.00 36.38 33.49 3knk s VAL 85 CO -0.11 -0.14 0.19 -1.81 -0.31 0.00 0.00 175.10 172.92 3knk s ASP 86 N -3.19 5.07 -0.15 4.85 -0.00 -1.16 -2.66 116.67 119.43 3knk s ASP 86 Ca 0.31 -0.54 -0.04 0.00 -0.00 0.00 0.00 52.55 52.28 3knk s ASP 86 Cb -0.10 -0.98 0.07 0.00 -0.00 0.00 0.00 42.92 41.91 3knk s ASP 86 CO 0.24 -0.22 0.22 -0.36 -0.00 0.00 0.00 175.17 175.05 3knk s PHE 87 N -2.30 -0.31 -0.46 4.23 2.99 -0.76 -3.73 117.98 117.63 3knk s PHE 87 Ca 0.37 0.60 -0.21 0.00 0.00 0.00 0.00 56.93 57.69 3knk s PHE 87 Cb -0.05 -0.21 0.03 0.00 0.00 0.00 0.00 43.02 42.78 3knk s PHE 87 CO 0.24 -0.43 0.67 0.12 -0.00 0.00 0.00 175.22 175.82 3knk s PHE 88 N 2.36 3.03 -0.28 0.36 5.99 0.52 -2.95 117.98 127.01 3knk s PHE 88 Ca 0.04 -0.14 -0.29 0.00 0.00 0.00 0.00 56.93 56.54 3knk s PHE 88 Cb -0.13 -3.46 -0.00 0.00 0.00 0.00 0.00 43.02 39.42 3knk s PHE 88 CO -0.09 -0.95 1.32 0.08 -0.00 0.00 0.00 175.22 175.57 3knk s VAL 89 N 2.90 4.13 0.32 3.12 1.01 -1.01 -1.96 120.40 128.92 3knk s VAL 89 Ca 0.22 1.29 -0.28 0.00 0.00 0.00 0.00 61.98 63.21 3knk s VAL 89 Cb -0.15 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.03 3knk s VAL 89 CO 0.18 -0.42 1.07 -0.76 0.00 0.00 0.00 175.10 175.16 3knk s LEU 90 N 4.32 4.42 0.00 3.92 1.02 0.23 -4.71 118.68 127.88 3knk s LEU 90 Ca 0.57 2.16 0.00 0.00 0.02 0.00 0.00 54.13 56.88 3knk s LEU 90 Cb -0.18 -3.82 0.00 0.00 0.02 0.00 0.00 46.19 42.21 3knk s LEU 90 CO 0.22 -0.24 0.00 -0.24 0.02 0.00 0.00 176.35 176.12 3knk n SER 91 N 0.77 0.00 -2.73 2.29 2.88 -1.26 -4.86 113.62 110.71 3knk n SER 91 Ca 0.01 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 3knk n SER 91 Cb 0.47 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.97 3knk n SER 91 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3knk n ASP 92 N 0.00 1.90 -4.95 -3.46 5.68 -1.26 -4.60 116.55 109.86 3knk n ASP 92 Ca 0.00 -2.35 -0.23 0.00 -0.50 0.00 0.00 54.79 51.71 3knk n ASP 92 Cb 0.00 -0.48 -0.00 0.00 -1.14 0.00 0.00 41.12 39.50 3knk n ASP 92 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3knk s GLU 93 N -3.64 3.34 -0.18 0.11 0.41 -1.26 -4.85 118.70 112.63 3knk s GLU 93 Ca 0.29 -0.41 0.00 0.00 -0.41 0.00 0.00 54.97 54.45 3knk s GLU 93 Cb 0.36 -2.63 0.18 0.00 -1.78 0.00 0.00 34.13 30.25 3knk s GLU 93 CO -0.02 0.01 1.64 -2.30 -0.49 0.00 0.00 175.26 174.09 3knk n PRO 94 N -1.88 1.46 -0.62 0.39 -0.02 -1.25 -3.76 135.00 129.32 3knk n PRO 94 Ca -0.03 -1.00 -0.22 0.00 -2.02 0.00 0.00 63.50 60.23 3knk n PRO 94 Cb 0.57 -1.39 0.02 0.00 -0.02 0.00 0.00 33.50 32.68 3knk n PRO 94 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3knk n VAL 95 N 0.34 0.00 -3.92 -1.45 0.31 -1.22 -4.05 118.33 108.33 3knk n VAL 95 Ca 0.19 -0.31 -0.21 0.00 -0.01 0.00 0.00 64.34 64.00 3knk n VAL 95 Cb 0.72 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.62 3knk n VAL 95 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3knk s GLU 96 N -1.24 3.12 0.00 5.55 2.02 -1.26 -3.36 118.70 123.53 3knk s GLU 96 Ca 0.25 -0.97 0.00 0.00 0.02 0.00 0.00 54.97 54.27 3knk s GLU 96 Cb -0.11 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.40 3knk s GLU 96 CO 0.52 0.32 0.00 0.00 0.02 0.00 0.00 175.26 176.12 3knk n MET 97 N -1.36 0.00 -4.07 1.61 0.00 -1.23 -4.94 117.12 107.13 3knk n MET 97 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.31 3knk n MET 97 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.73 3knk n MET 97 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 3knk s TYR 98 N -2.00 3.32 -0.00 3.17 2.02 -1.26 0.95 117.35 123.54 3knk s TYR 98 Ca 0.00 0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.93 3knk s TYR 98 Cb 0.00 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.82 3knk s TYR 98 CO 0.00 0.56 -0.03 0.08 -1.57 0.00 0.00 175.55 174.59 3knk s VAL 99 N -1.23 0.24 0.72 0.71 1.01 -1.01 -4.71 120.40 116.14 3knk s VAL 99 Ca 0.24 -0.11 -0.16 0.00 0.00 0.00 0.00 61.98 61.94 3knk s VAL 99 Cb -0.12 -0.22 -0.07 0.00 0.00 0.00 0.00 36.38 35.97 3knk s VAL 99 CO 0.15 0.08 0.25 -2.65 0.00 0.00 0.00 175.10 172.92 3knk n PRO 100 N 3.11 0.19 -4.45 2.72 -0.02 -1.26 -2.37 135.00 132.92 3knk n PRO 100 Ca -0.14 0.09 -0.21 0.00 -2.02 0.00 0.00 63.50 61.22 3knk n PRO 100 Cb 0.58 -1.58 -0.16 0.00 -0.02 0.00 0.00 33.50 32.32 3knk n PRO 100 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3knk s LEU 101 N 1.69 1.76 -0.27 2.45 1.02 0.46 -2.25 118.68 123.53 3knk s LEU 101 Ca 0.61 -0.21 0.02 0.00 0.02 0.00 0.00 54.13 54.56 3knk s LEU 101 Cb -0.35 -0.62 0.06 0.00 0.02 0.00 0.00 46.19 45.29 3knk s LEU 101 CO 0.63 0.07 -0.09 -0.13 0.02 0.00 0.00 176.35 176.85 3knk s ARG 102 N 0.27 2.26 -1.10 1.70 0.52 -1.16 -4.93 118.95 116.51 3knk s ARG 102 Ca -0.05 -1.35 -0.04 0.00 -0.52 0.00 0.00 55.73 53.77 3knk s ARG 102 Cb -0.10 -2.95 0.30 0.00 0.52 0.00 0.00 34.95 32.72 3knk s ARG 102 CO 0.01 -0.59 1.53 1.19 0.02 0.00 0.00 175.30 177.46 3knk n PHE 103 N 4.46 2.28 -1.51 -0.53 3.72 -1.26 -1.21 117.46 123.41 3knk n PHE 103 Ca -0.13 -2.58 -0.17 0.00 -0.05 0.00 0.00 57.45 54.51 3knk n PHE 103 Cb 0.42 -1.30 -0.16 0.00 -0.94 0.00 0.00 39.48 37.50 3knk n PHE 103 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 3knk n VAL 104 N 1.43 0.00 0.00 -4.37 3.14 -1.26 -4.60 118.33 112.67 3knk n VAL 104 Ca 0.28 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 3knk n VAL 104 Cb 0.33 -0.83 0.00 0.00 -1.06 0.00 0.00 33.84 32.29 3knk n VAL 104 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3knk n GLY 105 N 5.99 1.80 3.30 7.55 0.00 -1.26 -4.87 105.19 117.70 3knk n GLY 105 Ca 0.57 -2.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.22 3knk n GLY 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3knk s THR 106 N -1.42 2.81 0.90 2.61 -4.23 -1.26 -5.00 115.64 110.05 3knk s THR 106 Ca 0.00 -0.73 -0.18 0.00 -1.18 0.00 0.00 61.69 59.60 3knk s THR 106 Cb 0.00 -2.19 -0.15 0.00 1.34 0.00 0.00 72.50 71.51 3knk s THR 106 CO 0.00 0.52 -0.89 -0.81 -0.54 0.00 0.00 174.62 172.89 3knk n PRO 107 N 3.88 0.00 0.00 3.99 -0.04 -1.26 -4.64 135.00 136.93 3knk n PRO 107 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 3knk n PRO 107 Cb 0.52 -0.90 0.00 0.00 -0.04 0.00 0.00 33.50 33.08 3knk n PRO 107 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3knk n ALA 108 N -2.47 1.24 -3.77 0.55 0.00 -1.24 -3.88 120.51 110.95 3knk n ALA 108 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 3knk n ALA 108 Cb 0.55 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.86 3knk n ALA 108 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3knk s GLY 109 N -0.79 1.62 -0.44 0.00 0.00 -1.26 -4.56 107.32 101.89 3knk s GLY 109 Ca 0.00 -2.42 0.04 0.00 0.00 0.00 0.00 44.72 42.34 3knk s GLY 109 CO 0.00 1.44 1.01 1.55 0.00 0.00 0.00 173.10 177.10 3knk n VAL 110 N 3.91 0.00 0.07 1.40 3.14 -1.23 -3.55 118.33 122.08 3knk n VAL 110 Ca 0.05 -1.27 0.00 0.00 -2.96 0.00 0.00 64.34 60.16 3knk n VAL 110 Cb 0.37 1.38 0.00 0.00 -1.06 0.00 0.00 33.84 34.53 3knk n VAL 110 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 3knk n ARG 111 N 1.47 0.00 0.00 1.45 0.63 -1.26 -4.98 116.66 113.97 3knk n ARG 111 Ca 0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 3knk n ARG 111 Cb 0.66 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.57 3knk n ARG 111 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knk n ALA 112 N -2.88 0.02 -3.03 5.13 0.00 -1.26 -5.04 120.51 113.46 3knk n ALA 112 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knk n ALA 112 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 3knk n ALA 112 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3knk s GLY 113 N 0.00 -1.33 0.00 0.00 0.00 -1.26 -4.62 107.32 100.11 3knk s GLY 113 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.94 3knk s GLY 113 CO 0.00 3.78 0.00 0.61 0.00 0.00 0.00 173.10 177.49 3knk n GLY 114 N 3.90 1.06 2.48 0.20 0.00 -1.25 -4.37 105.19 107.21 3knk n GLY 114 Ca 0.12 0.46 -0.13 0.00 0.00 0.00 0.00 46.02 46.48 3knk n GLY 114 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knk n VAL 115 N 0.00 0.14 0.00 1.61 0.31 -1.23 -3.52 118.33 115.63 3knk n VAL 115 Ca 0.00 -3.13 0.00 0.00 -0.01 0.00 0.00 64.34 61.20 3knk n VAL 115 Cb 0.00 0.52 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 3knk n VAL 115 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3knk n LEU 116 N 0.12 0.00 -4.93 7.52 0.00 -1.26 -4.70 117.00 113.75 3knk n LEU 116 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 56.01 55.89 3knk n LEU 116 Cb 0.73 0.00 0.04 0.00 0.00 0.00 0.00 43.42 44.19 3knk n LEU 116 CO 0.15 0.00 0.52 -1.58 0.00 0.00 0.00 177.39 176.48 3knk s GLN 117 N 0.00 2.71 -0.42 1.96 0.74 -1.24 -4.97 119.66 118.43 3knk s GLN 117 Ca 0.00 -0.17 -0.13 0.00 0.05 0.00 0.00 55.36 55.10 3knk s GLN 117 Cb 0.00 -2.28 0.04 0.00 1.10 0.00 0.00 33.01 31.87 3knk s GLN 117 CO 0.00 -0.81 0.30 -1.83 -0.55 0.00 0.00 175.29 172.39 3knk s GLU 118 N -5.01 2.89 -0.23 1.67 1.03 -1.26 -4.33 118.70 113.47 3knk s GLU 118 Ca 0.55 -1.17 0.02 0.00 0.03 0.00 0.00 54.97 54.41 3knk s GLU 118 Cb -0.11 -3.93 0.04 0.00 -0.80 0.00 0.00 34.13 29.34 3knk s GLU 118 CO 0.44 -0.83 -0.14 0.42 -1.33 0.00 0.00 175.26 173.82 3knk s ILE 119 N 1.61 2.15 -1.10 1.83 1.01 -0.28 -4.75 121.20 121.67 3knk s ILE 119 Ca 0.04 -1.36 -0.10 0.00 0.00 0.00 0.00 60.65 59.23 3knk s ILE 119 Cb -0.21 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 3knk s ILE 119 CO 0.07 0.19 0.87 1.41 0.00 0.00 0.00 174.94 177.49 3knk n HIS 120 N 4.51 -2.25 0.28 3.97 8.25 -1.26 -3.83 115.22 124.88 3knk n HIS 120 Ca -0.17 0.73 0.13 0.00 -0.26 0.00 0.00 57.72 58.15 3knk n HIS 120 Cb 0.45 -3.96 0.58 0.00 1.12 0.00 0.00 29.99 28.18 3knk n HIS 120 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3knk h ARG 121 N -1.42 0.00 -4.99 -0.41 3.08 -1.85 -3.38 114.38 105.41 3knk h ARG 121 Ca -0.63 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.11 3knk h ARG 121 Cb 1.33 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.23 3knk h ARG 121 CO 0.46 0.00 -0.71 0.16 -1.07 0.00 0.00 179.97 178.81 3knk s ASP 122 N -4.10 1.68 -0.04 7.04 1.47 -1.25 0.17 116.67 121.63 3knk s ASP 122 Ca -0.03 -1.02 -0.04 0.00 1.18 0.00 0.00 52.55 52.65 3knk s ASP 122 Cb 0.08 0.01 0.01 0.00 -0.34 0.00 0.00 42.92 42.68 3knk s ASP 122 CO 0.25 -0.36 0.11 -0.51 0.68 0.00 0.00 175.17 175.34 3knk s ILE 123 N -3.38 -0.01 0.68 2.11 2.07 -1.00 -4.75 121.20 116.93 3knk s ILE 123 Ca 0.16 0.02 -0.17 0.00 -1.41 0.00 0.00 60.65 59.26 3knk s ILE 123 Cb 0.03 -0.17 -0.01 0.00 0.13 0.00 0.00 42.46 42.44 3knk s ILE 123 CO -0.00 0.01 1.01 -0.11 -1.91 0.00 0.00 174.94 173.94 3knk n LEU 124 N 3.18 3.92 0.00 8.50 7.94 -1.24 -2.40 117.00 136.89 3knk n LEU 124 Ca -0.14 0.72 0.00 0.00 -1.11 0.00 0.00 56.01 55.48 3knk n LEU 124 Cb 0.58 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 43.11 3knk n LEU 124 CO 0.22 -1.86 0.00 1.33 -1.11 0.00 0.00 177.39 175.97 3knk n VAL 125 N -2.25 0.00 -2.83 1.96 0.24 0.27 -4.31 118.33 111.41 3knk n VAL 125 Ca 0.14 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.37 3knk n VAL 125 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 3knk n VAL 125 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3knk n LYS 126 N 0.00 0.52 0.00 7.34 4.81 -1.12 -3.54 118.16 126.17 3knk n LYS 126 Ca 0.00 -2.15 0.00 0.00 -0.87 0.00 0.00 58.31 55.29 3knk n LYS 126 Cb 0.00 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.56 3knk n LYS 126 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 3knk n VAL 127 N 2.82 0.00 -4.26 3.15 3.14 -1.21 -3.58 118.33 118.39 3knk n VAL 127 Ca 0.19 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.33 3knk n VAL 127 Cb 0.56 -0.26 -0.08 0.00 -1.06 0.00 0.00 33.84 33.00 3knk n VAL 127 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3knk s SER 128 N 0.22 4.35 0.00 6.55 0.15 -1.26 -3.43 113.70 120.28 3knk s SER 128 Ca 0.00 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 55.72 3knk s SER 128 Cb 0.00 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.72 3knk s SER 128 CO 0.00 -0.27 0.68 -2.65 1.20 0.00 0.00 173.24 172.19 3knk n PRO 129 N -1.03 0.80 0.00 5.44 -0.02 -1.25 -2.93 135.00 136.01 3knk n PRO 129 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3knk n PRO 129 Cb 0.62 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 3knk n PRO 129 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3knk n ARG 130 N 0.45 0.00 -1.96 -0.52 1.74 -1.26 -4.90 116.66 110.22 3knk n ARG 130 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 3knk n ARG 130 Cb 0.34 -0.29 -0.00 0.00 -1.02 0.00 0.00 32.46 31.49 3knk n ARG 130 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3knk n ASN 131 N -1.91 7.30 -4.45 0.55 3.02 -1.15 -4.95 115.26 113.67 3knk n ASN 131 Ca 0.00 -3.45 -0.43 0.00 -0.03 0.00 0.00 54.58 50.67 3knk n ASN 131 Cb 0.00 -1.21 -0.04 0.00 -0.61 0.00 0.00 39.78 37.92 3knk n ASN 131 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3knk s ILE 132 N -3.14 4.38 0.64 2.41 1.01 -1.25 -4.40 121.20 120.87 3knk s ILE 132 Ca 0.52 -0.38 -0.17 0.00 0.00 0.00 0.00 60.65 60.61 3knk s ILE 132 Cb 0.31 -4.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 3knk s ILE 132 CO -0.22 -1.39 0.96 -0.81 0.00 0.00 0.00 174.94 173.47 3knk n PRO 133 N 7.53 0.76 0.05 2.79 -0.04 -1.26 -4.95 135.00 139.88 3knk n PRO 133 Ca -0.04 0.31 0.11 0.00 -0.04 0.00 0.00 63.50 63.84 3knk n PRO 133 Cb 0.45 -2.18 -0.06 0.00 -0.04 0.00 0.00 33.50 31.68 3knk n PRO 133 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3knk n GLU 134 N -1.28 0.56 0.00 0.54 2.13 -1.26 -4.91 120.64 116.42 3knk n GLU 134 Ca 0.14 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.94 3knk n GLU 134 Cb 0.48 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.52 3knk n GLU 134 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 3knk n PHE 135 N -2.39 0.00 -4.11 4.31 1.16 -1.26 -4.59 117.46 110.58 3knk n PHE 135 Ca -0.01 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.31 3knk n PHE 135 Cb 0.53 0.00 -0.17 0.00 -1.61 0.00 0.00 39.48 38.24 3knk n PHE 135 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3knk s ILE 136 N -2.00 1.10 0.68 1.97 1.01 -0.96 -5.02 121.20 117.98 3knk s ILE 136 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 60.65 60.26 3knk s ILE 136 Cb 0.00 -1.08 0.09 0.00 0.01 0.00 0.00 42.46 41.49 3knk s ILE 136 CO 0.00 0.37 0.96 -1.83 0.00 0.00 0.00 174.94 174.44 3knk s GLU 137 N 1.39 1.96 0.03 2.79 -1.05 -1.26 -2.99 118.70 119.57 3knk s GLU 137 Ca -0.01 -0.80 -0.04 0.00 -0.15 0.00 0.00 54.97 53.98 3knk s GLU 137 Cb -0.13 -2.31 -0.02 0.00 -0.44 0.00 0.00 34.13 31.23 3knk s GLU 137 CO -0.05 -1.26 0.05 0.08 0.95 0.00 0.00 175.26 175.03 3knk s VAL 138 N -3.10 0.14 -0.87 1.83 1.01 -0.35 -4.84 120.40 114.22 3knk s VAL 138 Ca 0.63 -1.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 3knk s VAL 138 Cb -0.08 -0.84 0.15 0.00 0.00 0.00 0.00 36.38 35.61 3knk s VAL 138 CO 0.43 -0.63 2.44 -0.90 0.00 0.00 0.00 175.10 176.44 3knk n ASP 139 N 0.87 7.25 -4.61 3.32 3.85 -1.26 -4.01 116.55 121.97 3knk n ASP 139 Ca -0.19 -3.32 -0.43 0.00 -0.71 0.00 0.00 54.79 50.14 3knk n ASP 139 Cb 0.58 -1.25 -0.03 0.00 -1.35 0.00 0.00 41.12 39.07 3knk n ASP 139 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3knk s VAL 140 N -2.48 3.32 0.00 2.12 0.11 -1.26 -4.62 120.40 117.59 3knk s VAL 140 Ca 0.54 0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.93 3knk s VAL 140 Cb 0.30 -3.39 0.00 0.00 -1.53 0.00 0.00 36.38 31.76 3knk s VAL 140 CO -0.19 -0.22 0.00 -1.54 -3.33 0.00 0.00 175.10 169.81 3knk n SER 141 N 10.20 0.00 -2.69 3.54 3.41 -1.26 -4.55 113.62 122.27 3knk n SER 141 Ca 0.24 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.78 3knk n SER 141 Cb 0.45 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.45 3knk n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3knk n GLY 142 N 0.00 1.54 2.83 5.00 0.00 -1.26 -3.67 105.19 109.63 3knk n GLY 142 Ca 0.00 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 3knk n GLY 142 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3knk n LEU 143 N -0.27 5.04 0.00 0.99 7.99 -1.26 -4.85 117.00 124.64 3knk n LEU 143 Ca 0.06 -5.59 0.00 0.00 -0.01 0.00 0.00 56.01 50.47 3knk n LEU 143 Cb 0.82 -0.71 0.00 0.00 -0.11 0.00 0.00 43.42 43.42 3knk n LEU 143 CO 0.17 2.25 0.00 1.21 -1.51 0.00 0.00 177.39 179.51 3knk n GLU 144 N -0.05 0.00 -3.42 3.23 0.00 -1.26 -4.57 120.64 114.57 3knk n GLU 144 Ca 0.34 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 57.23 3knk n GLU 144 Cb 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.72 3knk n GLU 144 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 3knk n ILE 145 N 0.00 1.62 0.00 6.31 -5.35 -1.26 -4.61 119.36 116.07 3knk n ILE 145 Ca 0.00 -4.91 0.00 0.00 -0.27 0.00 0.00 62.75 57.57 3knk n ILE 145 Cb 0.00 -2.07 0.00 0.00 -1.74 0.00 0.00 39.64 35.83 3knk n ILE 145 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3knk n GLY 146 N 1.11 0.50 3.32 3.28 0.00 -1.26 -5.11 105.19 107.03 3knk n GLY 146 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 3knk n GLY 146 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3knk s ASP 147 N 0.00 5.46 0.42 1.61 -1.08 -1.26 -5.08 116.67 116.73 3knk s ASP 147 Ca 0.00 -1.06 0.05 0.00 -0.52 0.00 0.00 52.55 51.03 3knk s ASP 147 Cb 0.00 -1.93 -0.06 0.00 -1.46 0.00 0.00 42.92 39.47 3knk s ASP 147 CO 0.00 -0.34 0.02 -0.94 0.52 0.00 0.00 175.17 174.43 3knk s SER 148 N 1.46 3.76 -0.44 -0.34 1.04 -1.26 -4.36 113.70 113.56 3knk s SER 148 Ca -0.00 -1.44 -0.12 0.00 0.48 0.00 0.00 55.95 54.87 3knk s SER 148 Cb -0.19 -0.16 0.07 0.00 0.10 0.00 0.00 66.02 65.84 3knk s SER 148 CO 0.04 -0.56 0.31 -1.48 0.98 0.00 0.00 173.24 172.53 3knk s LEU 149 N -3.72 5.30 0.00 2.42 -0.00 -1.26 -4.81 118.68 116.61 3knk s LEU 149 Ca 0.29 -1.37 0.00 0.00 -0.00 0.00 0.00 54.13 53.05 3knk s LEU 149 Cb 0.08 -2.07 0.00 0.00 -0.00 0.00 0.00 46.19 44.20 3knk s LEU 149 CO 0.15 -0.56 0.00 0.00 -0.00 0.00 0.00 176.35 175.93 3knk n HIS 150 N 5.05 0.00 -2.51 3.48 1.44 -1.26 -0.77 115.22 120.65 3knk n HIS 150 Ca -0.11 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.19 3knk n HIS 150 Cb 0.44 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.50 3knk n HIS 150 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3knk s ALA 151 N -0.51 3.40 -0.94 1.59 0.00 -1.26 -4.12 121.76 119.92 3knk s ALA 151 Ca 0.00 0.86 -0.25 0.00 0.00 0.00 0.00 51.96 52.57 3knk s ALA 151 Cb 0.00 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.72 3knk s ALA 151 CO 0.00 -0.13 2.05 0.45 0.00 0.00 0.00 175.76 178.13 3knk s SER 152 N -0.78 4.76 -0.33 0.00 0.15 -1.26 -4.63 113.70 111.60 3knk s SER 152 Ca 0.45 -0.73 0.11 0.00 0.70 0.00 0.00 55.95 56.48 3knk s SER 152 Cb -0.31 -2.57 0.46 0.00 -1.71 0.00 0.00 66.02 61.89 3knk s SER 152 CO 0.39 -3.17 1.12 0.47 1.20 0.00 0.00 173.24 173.25 3knk n ASP 153 N 15.38 3.73 -3.45 5.45 8.00 -1.26 -5.06 116.55 139.33 3knk n ASP 153 Ca 0.42 -3.27 -0.11 0.00 0.71 0.00 0.00 54.79 52.55 3knk n ASP 153 Cb 0.46 -0.43 0.02 0.00 -0.02 0.00 0.00 41.12 41.15 3knk n ASP 153 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3knk n LEU 154 N -0.53 0.00 -3.93 0.64 4.77 -1.26 -5.10 117.00 111.59 3knk n LEU 154 Ca 0.30 -1.32 -0.30 0.00 -0.03 0.00 0.00 56.01 54.66 3knk n LEU 154 Cb 0.83 -0.14 -0.15 0.00 -2.33 0.00 0.00 43.42 41.63 3knk n LEU 154 CO 0.30 -0.54 -0.30 -0.75 -1.33 0.00 0.00 177.39 174.78 3knk s LYS 155 N -3.25 1.42 -0.73 3.23 2.20 -1.26 -5.08 119.74 116.27 3knk s LYS 155 Ca 0.25 -1.88 -0.21 0.00 -0.36 0.00 0.00 55.97 53.77 3knk s LYS 155 Cb -0.02 -2.94 0.09 0.00 -1.51 0.00 0.00 37.83 33.45 3knk s LYS 155 CO 0.16 -1.00 0.97 -0.51 -0.36 0.00 0.00 175.35 174.61 3knk s LEU 156 N 0.76 4.76 0.00 5.43 1.02 -1.26 -5.03 118.68 124.37 3knk s LEU 156 Ca 0.12 -1.39 -0.02 0.00 0.02 0.00 0.00 54.13 52.86 3knk s LEU 156 Cb -0.20 -2.39 0.04 0.00 0.02 0.00 0.00 46.19 43.65 3knk s LEU 156 CO -0.09 -1.27 0.08 -0.81 0.02 0.00 0.00 176.35 174.28 3knk n PRO 157 N 7.12 1.26 -0.96 1.29 -0.04 -1.26 -4.35 135.00 138.06 3knk n PRO 157 Ca 0.04 -0.14 -0.45 0.00 -0.04 0.00 0.00 63.50 62.91 3knk n PRO 157 Cb 0.46 -0.94 -0.09 0.00 -0.04 0.00 0.00 33.50 32.89 3knk n PRO 157 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3knk n PRO 158 N 1.68 0.00 0.00 0.54 -0.02 -1.26 0.72 135.00 136.66 3knk n PRO 158 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3knk n PRO 158 Cb 0.06 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 3knk n PRO 158 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knk n GLY 159 N 5.29 0.84 3.43 -1.23 0.00 -1.26 -4.80 105.19 107.45 3knk n GLY 159 Ca 0.39 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.90 3knk n GLY 159 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knk n VAL 160 N -1.11 0.14 -4.36 1.61 0.31 0.22 -4.51 118.33 110.63 3knk n VAL 160 Ca 0.00 -0.24 -0.29 0.00 -0.01 0.00 0.00 64.34 63.80 3knk n VAL 160 Cb 0.00 -1.50 -0.12 0.00 -0.91 0.00 0.00 33.84 31.31 3knk n VAL 160 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3knk s GLU 161 N 6.43 1.56 1.21 5.55 2.12 -1.23 -4.36 118.70 129.97 3knk s GLU 161 Ca 1.12 -1.31 -0.16 0.00 0.36 0.00 0.00 54.97 54.97 3knk s GLU 161 Cb -0.92 -1.97 0.26 0.00 0.26 0.00 0.00 34.13 31.76 3knk s GLU 161 CO 0.50 0.45 0.71 1.28 -0.54 0.00 0.00 175.26 177.66 3knk n LEU 162 N 0.77 -1.85 -2.55 2.70 4.32 -1.26 -2.77 117.00 116.35 3knk n LEU 162 Ca -0.16 -0.29 -0.04 0.00 -0.02 0.00 0.00 56.01 55.50 3knk n LEU 162 Cb 0.53 -1.12 0.02 0.00 -1.62 0.00 0.00 43.42 41.23 3knk n LEU 162 CO 0.26 -3.46 0.57 0.00 -1.22 0.00 0.00 177.39 173.53 3knk n ALA 163 N -5.00 -1.29 -2.00 -1.18 0.00 -1.26 -4.56 120.51 105.23 3knk n ALA 163 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.87 3knk n ALA 163 Cb 0.56 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3knk n ALA 163 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3knk n VAL 164 N -0.54 0.00 0.05 0.00 0.31 -1.26 -4.81 118.33 112.08 3knk n VAL 164 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3knk n VAL 164 Cb 0.69 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.62 3knk n VAL 164 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3knk n SER 165 N 0.00 0.06 -4.69 4.52 7.64 -1.26 -4.93 113.62 114.96 3knk n SER 165 Ca 0.00 0.17 -0.37 0.00 1.01 0.00 0.00 58.87 59.68 3knk n SER 165 Cb 0.00 0.09 -0.08 0.00 -1.01 0.00 0.00 64.21 63.22 3knk n SER 165 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3knk s PRO 166 N -2.00 4.20 0.00 1.43 0.05 -1.26 -5.15 135.00 132.26 3knk s PRO 166 Ca 0.00 0.07 0.00 0.00 0.05 0.00 0.00 61.00 61.12 3knk s PRO 166 Cb 0.00 -3.49 0.00 0.00 0.05 0.00 0.00 34.50 31.06 3knk s PRO 166 CO 0.00 0.10 0.00 -1.91 0.05 0.00 0.00 177.00 175.24 3knk n GLU 167 N 4.04 0.00 0.00 4.56 0.00 -1.26 -4.64 120.64 123.35 3knk n GLU 167 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.05 3knk n GLU 167 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.96 3knk n GLU 167 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3knk n GLU 168 N -0.87 0.00 -1.92 5.31 4.07 -1.26 -4.15 120.64 121.81 3knk n GLU 168 Ca 0.00 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.81 3knk n GLU 168 Cb 0.00 0.00 0.09 0.00 -0.06 0.00 0.00 31.44 31.47 3knk n GLU 168 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3knk s THR 169 N 0.00 2.03 0.00 6.31 -4.23 -1.26 -4.55 115.64 113.94 3knk s THR 169 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 3knk s THR 169 Cb 0.00 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.84 3knk s THR 169 CO 0.00 -0.01 0.23 2.30 -0.54 0.00 0.00 174.62 176.60 3knk n ILE 170 N -3.29 0.00 0.00 2.99 -5.35 0.05 -4.54 119.36 109.22 3knk n ILE 170 Ca 0.08 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 3knk n ILE 170 Cb 0.61 1.22 0.00 0.00 -1.74 0.00 0.00 39.64 39.73 3knk n ILE 170 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3knk n ALA 171 N -0.21 0.00 -2.59 -1.28 0.00 -1.26 -1.12 120.51 114.04 3knk n ALA 171 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 3knk n ALA 171 Cb 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.43 3knk n ALA 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knk s ALA 172 N 0.00 3.54 -0.92 0.00 0.00 -1.26 -4.24 121.76 118.89 3knk s ALA 172 Ca 0.00 -0.79 -0.25 0.00 0.00 0.00 0.00 51.96 50.92 3knk s ALA 172 Cb 0.00 -2.89 -0.11 0.00 0.00 0.00 0.00 23.12 20.12 3knk s ALA 172 CO 0.00 -0.89 2.14 0.08 0.00 0.00 0.00 175.76 177.08 3knk s VAL 173 N 2.29 3.25 0.75 0.00 1.01 -1.26 -3.70 120.40 122.73 3knk s VAL 173 Ca 0.19 -0.27 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 3knk s VAL 173 Cb -0.16 -3.71 0.05 0.00 0.00 0.00 0.00 36.38 32.56 3knk s VAL 173 CO 0.11 -0.51 1.14 0.68 0.00 0.00 0.00 175.10 176.52 3knk s VAL 174 N 12.77 2.80 0.95 2.92 -7.23 -1.26 -4.69 120.40 126.66 3knk s VAL 174 Ca 0.79 0.33 -0.12 0.00 -1.81 0.00 0.00 61.98 61.18 3knk s VAL 174 Cb -0.08 -2.78 0.16 0.00 0.56 0.00 0.00 36.38 34.24 3knk s VAL 174 CO 0.06 -0.27 1.09 -2.16 -0.31 0.00 0.00 175.10 173.51 3knk s PRO 175 N -4.31 0.84 0.30 4.82 0.04 -1.26 -4.03 135.00 131.39 3knk s PRO 175 Ca 0.68 0.72 -0.24 0.00 0.04 0.00 0.00 61.00 62.20 3knk s PRO 175 Cb -0.23 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 3knk s PRO 175 CO 0.48 -2.51 0.88 -1.25 0.04 0.00 0.00 177.00 174.65 3knk s PRO 176 N -4.92 4.46 0.00 0.56 0.04 -1.26 -4.95 135.00 128.94 3knk s PRO 176 Ca 0.64 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.86 3knk s PRO 176 Cb -0.19 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.57 3knk s PRO 176 CO 0.58 0.30 0.00 0.39 0.04 0.00 0.00 177.00 178.30 3knk n GLU 177 N 0.54 0.00 0.00 4.56 1.02 -1.26 -5.15 120.64 120.35 3knk n GLU 177 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3knk n GLU 177 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 3knk n GLU 177 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84