#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knk s VAL 4 N 0.00 4.95 -0.23 3.15 0.11 -1.26 -4.64 120.40 122.48 3knk s VAL 4 Ca 0.00 0.29 -0.29 0.00 -2.93 0.00 0.00 61.98 59.05 3knk s VAL 4 Cb 0.00 -3.69 -0.01 0.00 -1.53 0.00 0.00 36.38 31.14 3knk s VAL 4 CO 0.00 -0.27 1.40 0.00 -3.33 0.00 0.00 175.10 172.90 3knk n GLU 6 N 7.22 0.24 0.09 0.00 1.02 -1.18 -0.54 120.64 127.48 3knk n GLU 6 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 3knk n GLU 6 Cb 0.46 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 3knk n GLU 6 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3knk n ILE 7 N -0.20 0.36 1.06 -3.67 -0.00 -1.26 -4.86 119.36 110.79 3knk n ILE 7 Ca 0.00 0.12 0.12 0.00 -0.00 0.00 0.00 62.75 62.99 3knk n ILE 7 Cb 0.02 -0.90 0.15 0.00 -0.00 0.00 0.00 39.64 38.91 3knk n ILE 7 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 3knk n SER 8 N -3.32 1.02 -1.35 4.38 3.41 -1.23 -4.94 113.62 111.60 3knk n SER 8 Ca 0.00 -0.81 -0.18 0.00 -0.26 0.00 0.00 58.87 57.62 3knk n SER 8 Cb 0.04 0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 64.35 3knk n SER 8 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3knk n GLY 9 N 1.44 1.71 3.50 5.00 0.00 0.30 -4.95 105.19 112.19 3knk n GLY 9 Ca 0.08 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3knk n GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3knk n LYS 10 N -2.22 -1.67 -3.53 1.61 5.02 -1.26 -4.54 118.16 111.57 3knk n LYS 10 Ca -0.18 -0.45 -0.10 0.00 -2.02 0.00 0.00 58.31 55.57 3knk n LYS 10 Cb 0.61 -2.14 -0.03 0.00 -0.02 0.00 0.00 35.03 33.44 3knk n LYS 10 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3knk s ARG 11 N -4.29 0.76 -0.43 1.97 1.70 -1.26 -2.45 118.95 114.95 3knk s ARG 11 Ca 0.66 -0.11 -0.40 0.00 -0.47 0.00 0.00 55.73 55.41 3knk s ARG 11 Cb -0.23 0.35 -0.15 0.00 -0.57 0.00 0.00 34.95 34.35 3knk s ARG 11 CO 0.64 -0.30 2.17 -0.35 -1.08 0.00 0.00 175.30 176.38 3knk n PRO 12 N 0.16 0.51 -3.97 3.89 -0.04 -1.26 -4.85 135.00 129.44 3knk n PRO 12 Ca -0.10 0.14 -0.30 0.00 -0.04 0.00 0.00 63.50 63.20 3knk n PRO 12 Cb 0.60 -1.96 -0.05 0.00 -0.04 0.00 0.00 33.50 32.05 3knk n PRO 12 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3knk s ILE 13 N 6.68 5.07 -0.17 0.52 -4.36 -1.20 -4.87 121.20 122.88 3knk s ILE 13 Ca 1.15 -0.59 -0.15 0.00 -0.26 0.00 0.00 60.65 60.81 3knk s ILE 13 Cb -1.19 -3.49 -0.04 0.00 1.25 0.00 0.00 42.46 38.99 3knk s ILE 13 CO 0.58 0.09 0.33 -0.69 0.24 0.00 0.00 174.94 175.48 3knk s VAL 14 N -1.52 5.28 0.11 8.37 1.01 -1.26 -0.19 120.40 132.20 3knk s VAL 14 Ca 0.33 0.61 -0.01 0.00 0.00 0.00 0.00 61.98 62.91 3knk s VAL 14 Cb -0.12 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3knk s VAL 14 CO 0.26 0.36 0.02 0.00 0.00 0.00 0.00 175.10 175.74 3knk s ALA 15 N 0.66 0.79 -0.15 5.51 0.00 -0.52 -4.98 121.76 123.06 3knk s ALA 15 Ca 0.18 -1.39 -0.12 0.00 0.00 0.00 0.00 51.96 50.62 3knk s ALA 15 Cb -0.13 0.63 -0.05 0.00 0.00 0.00 0.00 23.12 23.57 3knk s ALA 15 CO 0.05 -0.43 0.24 -0.80 0.00 0.00 0.00 175.76 174.82 3knk s ASN 16 N -3.02 6.40 -0.39 0.00 0.01 -1.26 -2.41 114.94 114.27 3knk s ASN 16 Ca 0.18 0.46 -0.20 0.00 -0.71 0.00 0.00 52.86 52.60 3knk s ASN 16 Cb 0.07 -2.15 0.01 0.00 0.41 0.00 0.00 41.25 39.60 3knk s ASN 16 CO -0.02 0.18 0.59 -0.55 -1.51 0.00 0.00 177.10 175.79 3knk s SER 17 N 0.13 6.34 0.00 -1.22 0.15 0.60 -4.89 113.70 114.81 3knk s SER 17 Ca 0.15 -0.17 -0.19 0.00 0.70 0.00 0.00 55.95 56.43 3knk s SER 17 Cb -0.13 -2.30 -0.06 0.00 -1.71 0.00 0.00 66.02 61.83 3knk s SER 17 CO 0.03 -0.65 0.55 -0.63 1.20 0.00 0.00 173.24 173.74 3knk s ILE 18 N 2.64 4.91 -0.26 6.45 1.09 -1.26 -3.22 121.20 131.55 3knk s ILE 18 Ca 0.21 1.15 -0.02 0.00 -1.10 0.00 0.00 60.65 60.89 3knk s ILE 18 Cb -0.15 -3.88 0.02 0.00 -1.06 0.00 0.00 42.46 37.40 3knk s ILE 18 CO 0.16 0.47 -0.04 -1.10 -0.10 0.00 0.00 174.94 174.33 3knk s GLN 19 N -0.46 2.88 0.47 2.79 -1.52 -0.93 -5.00 119.66 117.88 3knk s GLN 19 Ca 0.29 -0.96 0.08 0.00 -1.95 0.00 0.00 55.36 52.82 3knk s GLN 19 Cb -0.18 -3.05 0.02 0.00 -0.22 0.00 0.00 33.01 29.58 3knk s GLN 19 CO 0.16 -0.40 0.52 1.03 -0.25 0.00 0.00 175.29 176.35 3knk s ARG 20 N 1.35 2.54 -0.41 2.91 0.52 -1.26 0.21 118.95 124.81 3knk s ARG 20 Ca 0.01 -1.53 0.04 0.00 -0.52 0.00 0.00 55.73 53.73 3knk s ARG 20 Cb -0.17 -2.51 0.30 0.00 0.52 0.00 0.00 34.95 33.10 3knk s ARG 20 CO -0.03 -0.40 1.17 0.54 0.02 0.00 0.00 175.30 176.59 3knk n ARG 21 N -1.80 0.63 -3.89 3.54 5.12 -1.04 -4.66 116.66 114.56 3knk n ARG 21 Ca 0.07 -1.41 -0.01 0.00 -1.93 0.00 0.00 57.85 54.57 3knk n ARG 21 Cb 0.61 -0.78 0.01 0.00 -1.16 0.00 0.00 32.46 31.14 3knk n ARG 21 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3knk s GLY 22 N -0.94 -0.04 0.02 -0.13 0.00 -1.26 -4.46 107.32 100.51 3knk s GLY 22 Ca 0.24 -0.08 -0.11 0.00 0.00 0.00 0.00 44.72 44.77 3knk s GLY 22 CO -0.13 3.27 0.37 1.25 0.00 0.00 0.00 173.10 177.86 3knk s LYS 23 N -2.20 3.78 0.44 2.90 2.20 -1.24 -4.85 119.74 120.77 3knk s LYS 23 Ca 0.23 0.22 -0.25 0.00 -0.36 0.00 0.00 55.97 55.81 3knk s LYS 23 Cb -0.01 -3.11 -0.08 0.00 -1.51 0.00 0.00 37.83 33.11 3knk s LYS 23 CO 0.02 0.64 1.41 0.00 -0.36 0.00 0.00 175.35 177.06 3knk s ALA 24 N -1.22 3.25 0.05 3.13 0.00 -1.26 -3.88 121.76 121.82 3knk s ALA 24 Ca 0.27 1.43 -0.23 0.00 0.00 0.00 0.00 51.96 53.43 3knk s ALA 24 Cb -0.15 -3.57 -0.15 0.00 0.00 0.00 0.00 23.12 19.25 3knk s ALA 24 CO 0.15 -1.14 1.51 -0.22 0.00 0.00 0.00 175.76 176.06 3knk h LYS 25 N 2.38 0.13 -0.96 0.00 1.63 -1.83 -2.07 116.57 115.86 3knk h LYS 25 Ca -0.51 -0.04 0.30 0.00 -0.85 0.00 0.00 60.65 59.56 3knk h LYS 25 Cb 1.26 -0.01 -0.16 0.00 -0.60 0.00 0.00 32.23 32.72 3knk h LYS 25 CO 0.61 0.35 0.36 -0.09 -3.45 0.00 0.00 179.45 177.24 3knk h ARG 26 N -0.11 0.17 0.00 1.90 2.43 -1.93 -2.99 114.38 113.85 3knk h ARG 26 Ca 0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3knk h ARG 26 Cb 0.29 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3knk h ARG 26 CO 0.00 0.11 0.00 0.39 -1.51 0.00 0.00 179.97 178.97 3knk n GLU 27 N -5.22 0.00 0.00 0.20 1.02 -0.83 -4.82 120.64 111.00 3knk n GLU 27 Ca 0.28 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.51 3knk n GLU 27 Cb 0.90 0.00 0.53 0.00 -0.02 0.00 0.00 31.44 32.85 3knk n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3knk n GLY 28 N 4.98 -0.76 0.00 0.62 0.00 -0.96 -4.99 105.19 104.07 3knk n GLY 28 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3knk n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knk n GLY 29 N 0.46 -0.08 3.22 -0.02 0.00 -0.90 -5.01 105.19 102.86 3knk n GLY 29 Ca 0.13 -1.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.05 3knk n GLY 29 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3knk n VAL 30 N -0.07 -6.95 0.00 1.61 0.24 -1.26 -4.42 118.33 107.48 3knk n VAL 30 Ca 0.00 0.47 0.00 0.00 -2.04 0.00 0.00 64.34 62.77 3knk n VAL 30 Cb 0.00 -5.12 0.00 0.00 -1.47 0.00 0.00 33.84 27.25 3knk n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3knk n GLY 31 N -0.16 0.00 3.59 7.63 0.00 -1.25 -3.98 105.19 111.02 3knk n GLY 31 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3knk n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knk s LYS 32 N 0.00 2.77 -0.03 1.61 1.02 -1.26 -3.70 119.74 120.15 3knk s LYS 32 Ca 0.00 -0.54 -0.03 0.00 0.02 0.00 0.00 55.97 55.42 3knk s LYS 32 Cb 0.00 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.66 3knk s LYS 32 CO 0.00 0.66 0.13 0.15 -0.92 0.00 0.00 175.35 175.38 3knk s LYS 33 N -0.80 3.30 -0.24 1.68 -0.14 -1.26 -5.00 119.74 117.27 3knk s LYS 33 Ca 0.12 -0.34 -0.22 0.00 -1.36 0.00 0.00 55.97 54.17 3knk s LYS 33 Cb -0.11 -3.02 -0.01 0.00 -1.68 0.00 0.00 37.83 33.00 3knk s LYS 33 CO 0.01 0.69 0.71 0.99 -0.76 0.00 0.00 175.35 176.99 3knk s THR 34 N -1.20 4.94 0.00 2.17 2.01 -1.26 -2.50 115.64 119.79 3knk s THR 34 Ca 0.23 1.31 0.00 0.00 0.31 0.00 0.00 61.69 63.53 3knk s THR 34 Cb -0.12 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.38 3knk s THR 34 CO 0.13 0.01 0.35 0.41 -0.69 0.00 0.00 174.62 174.83 3knk n THR 35 N 5.12 0.00 -3.77 -0.82 -1.04 0.58 -4.94 114.28 109.40 3knk n THR 35 Ca 0.02 0.75 -0.13 0.00 -2.04 0.00 0.00 64.05 62.65 3knk n THR 35 Cb 0.49 -1.56 -0.13 0.00 -1.82 0.00 0.00 70.33 67.31 3knk n THR 35 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3knk s GLY 36 N -1.23 -0.12 -0.12 3.41 0.00 -1.10 -4.99 107.32 103.18 3knk s GLY 36 Ca 0.00 0.69 -0.03 0.00 0.00 0.00 0.00 44.72 45.38 3knk s GLY 36 CO 0.00 0.79 0.01 -0.42 0.00 0.00 0.00 173.10 173.48 3knk s ILE 37 N 0.64 4.35 0.04 0.90 1.01 -1.26 -2.20 121.20 124.69 3knk s ILE 37 Ca -0.04 -0.22 -0.16 0.00 0.00 0.00 0.00 60.65 60.23 3knk s ILE 37 Cb -0.06 -2.87 0.03 0.00 0.01 0.00 0.00 42.46 39.57 3knk s ILE 37 CO -0.03 0.56 0.36 -0.55 0.00 0.00 0.00 174.94 175.27 3knk s SER 38 N -0.42 -0.21 0.59 3.58 0.15 -1.20 -4.99 113.70 111.20 3knk s SER 38 Ca 0.08 -0.06 -0.05 0.00 0.70 0.00 0.00 55.95 56.62 3knk s SER 38 Cb -0.12 0.38 0.02 0.00 -1.71 0.00 0.00 66.02 64.59 3knk s SER 38 CO 0.02 -0.62 0.89 -0.54 1.20 0.00 0.00 173.24 174.20 3knk s LYS 39 N -2.35 2.82 0.00 5.44 3.01 -1.26 -0.29 119.74 127.10 3knk s LYS 39 Ca -0.06 -0.11 0.00 0.00 -1.01 0.00 0.00 55.97 54.79 3knk s LYS 39 Cb -0.01 -2.29 0.00 0.00 -1.01 0.00 0.00 37.83 34.52 3knk s LYS 39 CO -0.02 -0.74 0.00 2.89 0.51 0.00 0.00 175.35 177.99 3knk n ARG 40 N -2.58 -0.97 -4.31 1.68 -4.01 -1.01 -4.81 116.66 100.65 3knk n ARG 40 Ca 0.05 0.00 -0.17 0.00 -1.04 0.00 0.00 57.85 56.69 3knk n ARG 40 Cb 0.58 0.00 -0.10 0.00 -3.04 0.00 0.00 32.46 29.90 3knk n ARG 40 CO 0.00 0.00 0.00 -0.98 -3.04 0.00 0.00 177.63 173.61 3knk s ARG 41 N -2.00 1.24 -0.53 2.89 1.70 -1.26 -1.44 118.95 119.55 3knk s ARG 41 Ca 0.00 -1.57 -0.12 0.00 -0.47 0.00 0.00 55.73 53.57 3knk s ARG 41 Cb 0.00 -0.79 0.13 0.00 -0.57 0.00 0.00 34.95 33.72 3knk s ARG 41 CO 0.00 0.06 0.44 -0.65 -1.08 0.00 0.00 175.30 174.07 3knk s GLN 42 N -3.75 2.76 0.49 3.89 -0.21 0.74 -4.92 119.66 118.65 3knk s GLN 42 Ca 0.22 -1.84 -0.22 0.00 0.02 0.00 0.00 55.36 53.54 3knk s GLN 42 Cb 0.03 -4.10 -0.07 0.00 1.00 0.00 0.00 33.01 29.87 3knk s GLN 42 CO 0.05 -1.25 1.17 0.71 -2.12 0.00 0.00 175.29 173.85 3knk s TYR 43 N 1.28 2.78 -0.43 0.91 4.12 -1.26 -3.21 117.35 121.54 3knk s TYR 43 Ca 0.06 1.53 -0.29 0.00 0.02 0.00 0.00 57.07 58.39 3knk s TYR 43 Cb -0.26 -3.38 0.02 0.00 -1.52 0.00 0.00 41.96 36.82 3knk s TYR 43 CO -0.00 -1.61 1.28 -2.14 0.02 0.00 0.00 175.55 173.10 3knk s PRO 44 N -2.87 3.66 -0.79 -1.71 0.02 -1.26 -4.91 135.00 127.15 3knk s PRO 44 Ca 0.67 0.79 -0.26 0.00 0.02 0.00 0.00 61.00 62.22 3knk s PRO 44 Cb -0.28 -3.96 -0.12 0.00 0.02 0.00 0.00 34.50 30.16 3knk s PRO 44 CO 0.33 -1.46 2.33 1.21 -0.33 0.00 0.00 177.00 179.09 3knk s ASN 45 N 3.21 4.14 -0.05 2.53 3.04 -1.26 -4.86 114.94 121.69 3knk s ASN 45 Ca 0.55 0.01 0.06 0.00 0.04 0.00 0.00 52.86 53.52 3knk s ASN 45 Cb -0.11 -2.55 -0.02 0.00 -1.54 0.00 0.00 41.25 37.04 3knk s ASN 45 CO 0.32 -3.62 -0.24 -1.48 -3.04 0.00 0.00 177.10 169.03 3knk s LEU 46 N 13.82 2.12 0.29 3.21 2.34 -1.26 -1.15 118.68 138.04 3knk s LEU 46 Ca 0.89 -0.47 0.10 0.00 0.06 0.00 0.00 54.13 54.71 3knk s LEU 46 Cb -0.12 -1.38 -0.05 0.00 -0.56 0.00 0.00 46.19 44.08 3knk s LEU 46 CO 0.08 0.28 -0.15 -1.10 -1.06 0.00 0.00 176.35 174.40 3knk s GLN 47 N -0.35 1.66 0.95 1.48 -1.52 -1.11 -4.94 119.66 115.83 3knk s GLN 47 Ca 0.02 -1.80 -0.13 0.00 -1.95 0.00 0.00 55.36 51.50 3knk s GLN 47 Cb -0.12 -1.61 0.16 0.00 -0.22 0.00 0.00 33.01 31.22 3knk s GLN 47 CO 0.02 0.23 1.16 0.15 -0.25 0.00 0.00 175.29 176.59 3knk s LYS 48 N -3.58 0.84 -0.20 2.91 3.01 -1.26 -3.41 119.74 118.06 3knk s LYS 48 Ca 0.30 0.17 -0.22 0.00 -1.01 0.00 0.00 55.97 55.20 3knk s LYS 48 Cb -0.01 -1.82 0.06 0.00 -1.01 0.00 0.00 37.83 35.05 3knk s LYS 48 CO 0.14 -2.38 0.61 0.08 0.51 0.00 0.00 175.35 174.32 3knk s VAL 49 N -3.32 0.00 0.33 3.17 1.01 0.16 -4.89 120.40 116.86 3knk s VAL 49 Ca 0.66 -0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.71 3knk s VAL 49 Cb -0.13 -0.87 -0.06 0.00 0.00 0.00 0.00 36.38 35.32 3knk s VAL 49 CO 0.53 -0.01 -0.11 -0.13 0.00 0.00 0.00 175.10 175.38 3knk s ARG 50 N 0.03 1.78 0.08 2.72 0.52 -1.26 0.19 118.95 123.01 3knk s ARG 50 Ca -0.02 -1.90 -0.27 0.00 -0.52 0.00 0.00 55.73 53.02 3knk s ARG 50 Cb -0.04 -1.67 0.08 0.00 0.52 0.00 0.00 34.95 33.84 3knk s ARG 50 CO 0.02 0.16 0.97 0.54 0.02 0.00 0.00 175.30 177.02 3knk s VAL 51 N -2.63 0.00 0.00 3.52 0.11 -0.98 -4.94 120.40 115.48 3knk s VAL 51 Ca 0.32 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 58.95 3knk s VAL 51 Cb 0.01 -1.68 0.00 0.00 -1.53 0.00 0.00 36.38 33.18 3knk s VAL 51 CO 0.16 0.00 0.29 -2.11 -3.33 0.00 0.00 175.10 170.11 3knk n ARG 52 N -0.40 0.00 -2.90 1.54 1.85 -1.26 -4.13 116.66 111.36 3knk n ARG 52 Ca -0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.76 3knk n ARG 52 Cb 0.61 -0.78 0.00 0.00 -1.05 0.00 0.00 32.46 31.24 3knk n ARG 52 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3knk n VAL 53 N -0.47 -8.57 -2.11 8.89 0.31 -1.26 -3.61 118.33 111.52 3knk n VAL 53 Ca 0.00 1.32 0.00 0.00 -0.01 0.00 0.00 64.34 65.65 3knk n VAL 53 Cb 0.00 -5.60 0.00 0.00 -0.91 0.00 0.00 33.84 27.33 3knk n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3knk n ALA 54 N 0.82 0.00 -0.01 3.52 0.00 -1.26 -3.20 120.51 120.37 3knk n ALA 54 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3knk n ALA 54 Cb 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.61 3knk n ALA 54 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3knk h GLY 55 N 0.00 0.17 0.00 0.00 0.00 -1.85 -3.45 103.07 97.94 3knk h GLY 55 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3knk h GLY 55 CO 0.00 0.06 0.00 -1.06 0.00 0.00 0.00 176.54 175.54 3knk n GLN 56 N -5.00 -1.39 0.05 4.80 1.13 -1.19 -5.06 117.38 110.72 3knk n GLN 56 Ca -0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 3knk n GLN 56 Cb 0.04 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.39 3knk n GLN 56 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3knk n GLU 57 N -1.63 0.00 -1.52 -1.09 2.13 -1.24 -4.46 120.64 112.83 3knk n GLU 57 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3knk n GLU 57 Cb 0.00 -0.36 0.00 0.00 0.27 0.00 0.00 31.44 31.35 3knk n GLU 57 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 3knk n ILE 58 N -3.29 -2.78 -4.33 6.31 -5.35 -1.26 -3.03 119.36 105.63 3knk n ILE 58 Ca 0.00 1.37 -0.17 0.00 -0.27 0.00 0.00 62.75 63.68 3knk n ILE 58 Cb 0.12 -2.19 -0.10 0.00 -1.74 0.00 0.00 39.64 35.73 3knk n ILE 58 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3knk s THR 59 N -4.96 0.90 0.02 7.28 -4.23 -1.26 -2.31 115.64 111.07 3knk s THR 59 Ca 0.00 -2.02 0.02 0.00 -1.18 0.00 0.00 61.69 58.52 3knk s THR 59 Cb 0.00 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.40 3knk s THR 59 CO 0.00 -0.24 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.41 3knk s PHE 60 N -3.51 0.61 -0.63 3.99 0.08 0.50 -4.91 117.98 114.10 3knk s PHE 60 Ca 0.31 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 57.08 3knk s PHE 60 Cb 0.07 -0.37 0.38 0.00 -0.57 0.00 0.00 43.02 42.53 3knk s PHE 60 CO 0.10 -0.04 1.45 -2.13 -0.10 0.00 0.00 175.22 174.50 3knk n ARG 61 N 2.18 3.30 -3.38 0.44 0.63 -1.26 0.39 116.66 118.96 3knk n ARG 61 Ca -0.18 -4.21 -0.33 0.00 -0.92 0.00 0.00 57.85 52.21 3knk n ARG 61 Cb 0.56 -2.27 -0.06 0.00 0.45 0.00 0.00 32.46 31.15 3knk n ARG 61 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3knk s VAL 62 N -5.23 4.89 1.09 5.15 0.11 -1.22 -3.13 120.40 122.06 3knk s VAL 62 Ca 0.49 0.62 -0.12 0.00 -2.93 0.00 0.00 61.98 60.04 3knk s VAL 62 Cb 0.39 -3.66 0.24 0.00 -1.53 0.00 0.00 36.38 31.83 3knk s VAL 62 CO -0.26 0.03 1.06 0.00 -3.33 0.00 0.00 175.10 172.60 3knk s ALA 63 N -1.71 0.10 0.13 1.54 0.00 -1.26 -2.77 121.76 117.79 3knk s ALA 63 Ca 0.45 0.13 0.19 0.00 0.00 0.00 0.00 51.96 52.73 3knk s ALA 63 Cb -0.12 -3.32 0.66 0.00 0.00 0.00 0.00 23.12 20.34 3knk s ALA 63 CO 0.20 -3.55 1.72 0.00 0.00 0.00 0.00 175.76 174.14 3knk h ALA 64 N -2.42 0.97 0.00 0.00 0.00 -1.49 -2.91 119.26 113.41 3knk h ALA 64 Ca -0.56 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.03 3knk h ALA 64 Cb 1.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3knk h ALA 64 CO 0.47 0.45 0.00 -1.13 0.00 0.00 0.00 179.25 179.04 3knk n SER 65 N -3.48 0.00 -0.19 0.00 3.41 -1.26 -3.20 113.62 108.89 3knk n SER 65 Ca 0.00 -1.12 0.02 0.00 -0.26 0.00 0.00 58.87 57.51 3knk n SER 65 Cb 0.52 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.50 3knk n SER 65 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3knk n HIS 66 N -0.91 0.00 -0.21 7.33 -0.00 -1.11 -4.76 115.22 115.56 3knk n HIS 66 Ca 0.19 -0.30 -0.07 0.00 -0.00 0.00 0.00 57.72 57.53 3knk n HIS 66 Cb 0.09 -0.06 0.03 0.00 -0.00 0.00 0.00 29.99 30.05 3knk n HIS 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3knk h ILE 67 N 3.24 1.21 -0.40 1.59 2.04 -1.50 -2.78 117.51 120.91 3knk h ILE 67 Ca 0.00 -0.58 0.08 0.00 1.00 0.00 0.00 64.86 65.37 3knk h ILE 67 Cb 1.06 0.49 -0.09 0.00 -0.74 0.00 0.00 36.82 37.54 3knk h ILE 67 CO 0.00 0.24 -0.21 1.55 0.00 0.00 0.00 178.15 179.73 3knk h PRO 68 N 0.81 -0.13 -1.15 2.37 0.13 -1.86 0.01 132.00 132.18 3knk h PRO 68 Ca 0.21 0.01 0.37 0.00 -0.87 0.00 0.00 66.00 65.72 3knk h PRO 68 Cb 0.10 0.03 -0.13 0.00 0.13 0.00 0.00 31.00 31.13 3knk h PRO 68 CO -0.03 -0.09 0.71 -0.22 -0.23 0.00 0.00 178.00 178.15 3knk h LYS 69 N -0.14 0.19 0.13 0.86 1.63 -1.84 0.93 116.57 118.34 3knk h LYS 69 Ca 0.19 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.98 3knk h LYS 69 Cb 0.44 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 3knk h LYS 69 CO -0.48 0.13 -0.07 0.28 -3.45 0.00 0.00 179.45 175.85 3knk h VAL 70 N 0.20 0.00 -0.92 2.00 2.07 -0.96 1.14 116.25 119.77 3knk h VAL 70 Ca 0.76 0.00 0.21 0.00 0.82 0.00 0.00 66.70 68.49 3knk h VAL 70 Cb 2.11 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.81 3knk h VAL 70 CO -0.49 0.00 0.61 1.88 0.02 0.00 0.00 177.57 179.59 3knk h TYR 71 N -0.19 0.57 -0.87 1.57 -1.99 -0.96 1.59 116.97 116.69 3knk h TYR 71 Ca -0.02 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.76 3knk h TYR 71 Cb 0.15 -0.17 -0.05 0.00 2.00 0.00 0.00 36.73 38.66 3knk h TYR 71 CO 0.12 0.14 0.57 1.49 -0.00 0.00 0.00 178.16 180.47 3knk h GLU 72 N 0.42 1.08 -0.18 4.88 4.22 0.16 -1.66 114.58 123.49 3knk h GLU 72 Ca 0.49 -0.06 -0.08 0.00 0.08 0.00 0.00 59.36 59.78 3knk h GLU 72 Cb 1.20 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 3knk h GLU 72 CO -0.19 0.71 -0.20 -0.07 -2.18 0.00 0.00 179.01 177.08 3knk h LEU 73 N 1.11 0.48 -1.10 1.64 3.38 1.11 -3.11 115.31 118.83 3knk h LEU 73 Ca 0.34 -0.49 0.16 0.00 0.09 0.00 0.00 57.88 57.98 3knk h LEU 73 Cb -0.03 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.50 3knk h LEU 73 CO -0.11 0.88 0.61 0.58 0.09 0.00 0.00 178.44 180.49 3knk h VAL 74 N 0.10 0.80 0.11 1.22 2.07 -0.03 -1.60 116.25 118.93 3knk h VAL 74 Ca 0.03 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 3knk h VAL 74 Cb 0.75 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3knk h VAL 74 CO 0.05 0.15 -0.05 -0.08 0.02 0.00 0.00 177.57 177.65 3knk h GLU 75 N 0.81 -0.14 -1.70 1.57 4.57 -1.27 -2.50 114.58 115.92 3knk h GLU 75 Ca 0.52 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.71 3knk h GLU 75 Cb 0.74 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 3knk h GLU 75 CO -0.29 0.06 0.00 2.89 -1.18 0.00 0.00 179.01 180.49 3knk n ARG 76 N -5.07 0.56 -2.71 1.92 1.85 -0.61 -2.58 116.66 110.02 3knk n ARG 76 Ca -0.08 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.67 3knk n ARG 76 Cb 0.16 -1.22 0.04 0.00 -1.05 0.00 0.00 32.46 30.38 3knk n ARG 76 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3knk n ALA 77 N 1.18 2.91 0.02 2.89 0.00 -0.94 -4.76 120.51 121.82 3knk n ALA 77 Ca 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 53.44 50.60 3knk n ALA 77 Cb 0.28 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3knk n ALA 77 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3knk n LYS 78 N -0.11 -0.69 -2.11 0.00 5.02 -1.07 -4.56 118.16 114.65 3knk n LYS 78 Ca 0.08 -0.59 -0.02 0.00 -2.02 0.00 0.00 58.31 55.76 3knk n LYS 78 Cb 0.81 -1.01 0.05 0.00 -0.02 0.00 0.00 35.03 34.86 3knk n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knk n GLY 79 N 0.01 2.53 2.83 0.72 0.00 -1.26 -5.04 105.19 104.98 3knk n GLY 79 Ca 0.00 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.52 3knk n GLY 79 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3knk s LEU 80 N -2.58 0.88 -1.05 0.99 0.20 -1.26 -5.09 118.68 110.76 3knk s LEU 80 Ca 0.34 -0.19 -0.22 0.00 0.69 0.00 0.00 54.13 54.74 3knk s LEU 80 Cb 0.36 -0.63 0.04 0.00 -0.43 0.00 0.00 46.19 45.53 3knk s LEU 80 CO -0.07 -0.16 1.54 -0.75 -0.29 0.00 0.00 176.35 176.62 3knk s LYS 81 N 1.85 3.53 -0.23 1.98 2.20 -1.26 -4.96 119.74 122.85 3knk s LYS 81 Ca 0.05 -1.16 -0.01 0.00 -0.36 0.00 0.00 55.97 54.49 3knk s LYS 81 Cb -0.12 -5.35 0.02 0.00 -1.51 0.00 0.00 37.83 30.86 3knk s LYS 81 CO -0.07 -2.36 -0.09 -0.51 -0.36 0.00 0.00 175.35 171.96 3knk s LEU 82 N 5.47 2.90 0.00 5.43 2.01 -1.26 -5.08 118.68 128.15 3knk s LEU 82 Ca 0.50 -0.76 0.00 0.00 0.01 0.00 0.00 54.13 53.87 3knk s LEU 82 Cb -0.00 -1.63 0.00 0.00 0.01 0.00 0.00 46.19 44.57 3knk s LEU 82 CO -0.06 -0.08 0.00 -0.62 1.01 0.00 0.00 176.35 176.59 3knk n GLU 83 N 4.67 0.00 -0.57 1.70 4.71 -1.26 -4.74 120.64 125.14 3knk n GLU 83 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.98 3knk n GLU 83 Cb 0.48 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 30.91 3knk n GLU 83 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3knk n GLY 84 N 0.00 -3.25 3.51 0.62 0.00 -1.26 -4.26 105.19 100.55 3knk n GLY 84 Ca 0.00 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.59 3knk n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3knk n LEU 85 N -1.94 2.68 -2.64 0.99 4.77 -1.26 -4.60 117.00 115.01 3knk n LEU 85 Ca -0.00 -2.87 -0.20 0.00 -0.03 0.00 0.00 56.01 52.91 3knk n LEU 85 Cb 0.18 -1.56 0.01 0.00 -2.33 0.00 0.00 43.42 39.71 3knk n LEU 85 CO 0.00 -2.05 0.04 -1.54 -1.33 0.00 0.00 177.39 172.51 3knk n SER 86 N 14.32 3.21 -0.11 -1.43 3.41 -1.26 -4.95 113.62 126.81 3knk n SER 86 Ca 0.45 -3.29 -0.13 0.00 -0.26 0.00 0.00 58.87 55.63 3knk n SER 86 Cb 0.45 -0.51 -0.09 0.00 -0.26 0.00 0.00 64.21 63.81 3knk n SER 86 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3knk h PRO 87 N 2.80 -0.41 -1.05 4.33 0.13 -1.93 -1.27 132.00 134.60 3knk h PRO 87 Ca 0.12 0.03 0.28 0.00 -0.87 0.00 0.00 66.00 65.56 3knk h PRO 87 Cb 0.98 0.09 -0.08 0.00 0.13 0.00 0.00 31.00 32.12 3knk h PRO 87 CO 0.69 -0.27 0.69 -0.22 -0.23 0.00 0.00 178.00 178.66 3knk h LYS 88 N -0.43 0.31 0.08 0.86 3.11 -1.99 -2.96 116.57 115.54 3knk h LYS 88 Ca 0.08 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.89 3knk h LYS 88 Cb 0.61 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.78 3knk h LYS 88 CO -0.56 0.20 -0.04 0.93 -2.81 0.00 0.00 179.45 177.17 3knk h GLU 89 N 0.31 -0.10 -1.08 1.90 5.08 -1.66 -3.28 114.58 115.75 3knk h GLU 89 Ca 0.58 0.01 0.30 0.00 -1.00 0.00 0.00 59.36 59.24 3knk h GLU 89 Cb 1.62 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.82 3knk h GLU 89 CO -0.24 0.27 0.74 0.82 -1.00 0.00 0.00 179.01 179.60 3knk h ILE 90 N -0.98 0.48 -0.46 3.13 2.04 -1.29 1.19 117.51 121.62 3knk h ILE 90 Ca -0.01 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 3knk h ILE 90 Cb 0.42 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3knk h ILE 90 CO 0.02 0.03 0.16 0.50 0.00 0.00 0.00 178.15 178.86 3knk h LYS 91 N 0.18 0.70 -0.56 2.37 3.64 -1.64 -2.53 116.57 118.73 3knk h LYS 91 Ca 0.56 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.74 3knk h LYS 91 Cb 1.85 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.54 3knk h LYS 91 CO -0.14 0.66 0.14 -0.22 -2.27 0.00 0.00 179.45 177.63 3knk h LYS 92 N 0.61 0.89 0.00 1.90 3.64 0.12 -1.65 116.57 122.07 3knk h LYS 92 Ca 0.15 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3knk h LYS 92 Cb 0.23 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3knk h LYS 92 CO -0.01 0.83 0.00 0.39 -2.27 0.00 0.00 179.45 178.39 3knk n GLU 93 N -4.41 0.04 -2.31 1.90 -0.58 1.00 -3.01 120.64 113.28 3knk n GLU 93 Ca 0.02 0.27 -0.42 0.00 -0.42 0.00 0.00 57.16 56.61 3knk n GLU 93 Cb 0.23 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 3knk n GLU 93 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3knk n LEU 94 N -1.31 6.73 0.00 -4.62 4.77 -0.62 -4.80 117.00 117.15 3knk n LEU 94 Ca 0.02 -4.65 0.00 0.00 -0.03 0.00 0.00 56.01 51.34 3knk n LEU 94 Cb 0.03 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.65 3knk n LEU 94 CO 0.03 1.41 0.00 -0.11 -1.33 0.00 0.00 177.39 177.39 3knk n LEU 95 N 3.78 0.00 0.00 2.23 7.94 -1.16 -5.05 117.00 124.73 3knk n LEU 95 Ca 0.41 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.31 3knk n LEU 95 Cb 0.36 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.31 3knk n LEU 95 CO 0.82 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 178.27