#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knk s LYS 2 N 0.00 3.20 0.44 2.12 -0.14 -1.26 -1.05 119.74 123.04 3knk s LYS 2 Ca 0.00 -0.03 0.07 0.00 -1.36 0.00 0.00 55.97 54.65 3knk s LYS 2 Cb 0.00 -4.17 -0.03 0.00 -1.68 0.00 0.00 37.83 31.95 3knk s LYS 2 CO 0.00 -2.11 0.25 0.14 -0.76 0.00 0.00 175.35 172.86 3knk s VAL 3 N 5.95 2.24 -0.05 3.17 -7.23 -0.20 -2.07 120.40 122.21 3knk s VAL 3 Ca 0.41 -1.60 0.02 0.00 -1.81 0.00 0.00 61.98 58.99 3knk s VAL 3 Cb -0.09 -2.84 0.01 0.00 0.56 0.00 0.00 36.38 34.02 3knk s VAL 3 CO 0.18 0.00 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.24 3knk s ILE 4 N -2.61 0.93 0.67 -0.62 1.01 -1.26 -2.88 121.20 116.44 3knk s ILE 4 Ca 0.40 -0.38 -0.00 0.00 0.00 0.00 0.00 60.65 60.67 3knk s ILE 4 Cb 0.01 -0.86 0.09 0.00 0.01 0.00 0.00 42.46 41.72 3knk s ILE 4 CO 0.23 0.30 0.93 -0.76 0.00 0.00 0.00 174.94 175.64 3knk s LEU 5 N 0.59 3.06 0.00 2.97 1.02 -0.95 -2.14 118.68 123.23 3knk s LEU 5 Ca -0.11 -0.21 0.00 0.00 0.02 0.00 0.00 54.13 53.82 3knk s LEU 5 Cb -0.14 -2.31 0.00 0.00 0.02 0.00 0.00 46.19 43.76 3knk s LEU 5 CO 0.02 -1.63 0.00 0.18 0.02 0.00 0.00 176.35 174.95 3knk n LEU 6 N -2.69 0.00 -3.31 1.79 4.77 -0.76 -3.43 117.00 113.37 3knk n LEU 6 Ca 0.12 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.80 3knk n LEU 6 Cb 0.60 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.70 3knk n LEU 6 CO 0.44 0.00 -0.54 1.21 -1.33 0.00 0.00 177.39 177.17 3knk n GLU 7 N 0.00 0.00 -2.13 3.23 4.07 -1.26 -3.08 120.64 121.48 3knk n GLU 7 Ca 0.00 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.68 3knk n GLU 7 Cb 0.00 -0.78 0.00 0.00 -0.06 0.00 0.00 31.44 30.60 3knk n GLU 7 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3knk n PRO 8 N 1.23 3.20 -2.65 5.31 -0.04 -1.26 -4.36 135.00 136.43 3knk n PRO 8 Ca 0.06 -3.09 -0.41 0.00 -0.04 0.00 0.00 63.50 60.02 3knk n PRO 8 Cb 0.37 -3.17 -0.05 0.00 -0.04 0.00 0.00 33.50 30.62 3knk n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3knk s LEU 9 N 1.57 4.53 0.00 1.53 1.43 -1.25 -4.53 118.68 121.96 3knk s LEU 9 Ca 0.45 1.94 -0.19 0.00 -1.03 0.00 0.00 54.13 55.31 3knk s LEU 9 Cb 0.10 -3.60 0.28 0.00 0.03 0.00 0.00 46.19 43.00 3knk s LEU 9 CO -0.03 -0.07 0.86 1.21 0.23 0.00 0.00 176.35 178.56 3knk n GLU 10 N 2.29 -3.37 -1.42 1.70 0.00 -1.26 0.37 120.64 118.94 3knk n GLU 10 Ca 0.01 -1.40 -0.11 0.00 0.00 0.00 0.00 57.16 55.66 3knk n GLU 10 Cb 0.48 -1.46 -0.04 0.00 0.00 0.00 0.00 31.44 30.41 3knk n GLU 10 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3knk n ASN 11 N -4.86 -2.91 0.00 4.31 5.15 -1.26 -4.16 115.26 111.53 3knk n ASN 11 Ca 0.12 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 54.37 3knk n ASN 11 Cb 0.50 -2.78 0.00 0.00 -0.53 0.00 0.00 39.78 36.98 3knk n ASN 11 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3knk n LEU 12 N -1.81 0.00 0.00 1.20 -0.00 -1.22 -5.10 117.00 110.07 3knk n LEU 12 Ca -0.11 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.82 3knk n LEU 12 Cb 0.38 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.77 3knk n LEU 12 CO 0.16 0.00 -0.05 0.61 -0.00 0.00 0.00 177.39 178.12 3knk n GLY 13 N 0.00 3.78 2.01 1.47 0.00 0.16 -3.92 105.19 108.68 3knk n GLY 13 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3knk n GLY 13 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3knk n ASP 14 N -2.08 -8.14 -4.22 1.61 8.00 -1.26 -4.68 116.55 105.78 3knk n ASP 14 Ca -0.01 1.40 -0.34 0.00 0.71 0.00 0.00 54.79 56.55 3knk n ASP 14 Cb 0.20 -4.48 0.10 0.00 -0.02 0.00 0.00 41.12 36.92 3knk n ASP 14 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3knk n VAL 15 N 1.55 0.00 -0.34 2.53 0.24 -1.18 -2.71 118.33 118.44 3knk n VAL 15 Ca 0.00 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 3knk n VAL 15 Cb 0.00 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 3knk n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3knk n GLY 16 N 2.41 1.88 3.83 7.63 0.00 -1.22 -4.98 105.19 114.74 3knk n GLY 16 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 3knk n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3knk s GLN 17 N -0.06 3.68 -0.55 1.61 0.74 -1.10 -4.90 119.66 119.08 3knk s GLN 17 Ca 0.00 1.01 0.06 0.00 0.05 0.00 0.00 55.36 56.49 3knk s GLN 17 Cb 0.00 -2.09 0.33 0.00 1.10 0.00 0.00 33.01 32.35 3knk s GLN 17 CO 0.00 -0.50 0.89 0.28 -0.55 0.00 0.00 175.29 175.41 3knk n VAL 18 N -1.89 2.46 -1.32 1.34 0.31 -1.26 -2.24 118.33 115.74 3knk n VAL 18 Ca 0.07 -5.38 -0.30 0.00 -0.01 0.00 0.00 64.34 58.73 3knk n VAL 18 Cb 0.54 -1.30 0.12 0.00 -0.91 0.00 0.00 33.84 32.28 3knk n VAL 18 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3knk s VAL 19 N -3.92 2.90 0.20 2.52 0.11 -1.14 -4.68 120.40 116.39 3knk s VAL 19 Ca 0.47 0.29 0.06 0.00 -2.93 0.00 0.00 61.98 59.87 3knk s VAL 19 Cb 0.28 -2.85 -0.05 0.00 -1.53 0.00 0.00 36.38 32.22 3knk s VAL 19 CO -0.12 -0.38 -0.11 1.51 -3.33 0.00 0.00 175.10 172.67 3knk s ASP 20 N -3.56 2.26 0.00 3.54 3.84 -1.26 -1.04 116.67 120.46 3knk s ASP 20 Ca 0.62 -1.06 0.00 0.00 -0.00 0.00 0.00 52.55 52.11 3knk s ASP 20 Cb -0.17 -0.08 0.00 0.00 -1.38 0.00 0.00 42.92 41.29 3knk s ASP 20 CO 0.56 -0.28 0.00 1.33 -0.00 0.00 0.00 175.17 176.78 3knk n VAL 21 N -0.35 0.00 -3.18 2.11 0.24 -0.22 -4.86 118.33 112.08 3knk n VAL 21 Ca -0.08 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 61.83 3knk n VAL 21 Cb 0.61 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.92 3knk n VAL 21 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3knk s LYS 22 N 1.39 4.30 0.17 7.34 1.02 -1.26 -0.26 119.74 132.44 3knk s LYS 22 Ca 0.00 0.60 -0.18 0.00 0.02 0.00 0.00 55.97 56.41 3knk s LYS 22 Cb 0.00 -3.50 0.12 0.00 -0.52 0.00 0.00 37.83 33.93 3knk s LYS 22 CO 0.00 -0.04 1.28 -2.30 -0.92 0.00 0.00 175.35 173.37 3knk n PRO 23 N 4.30 -0.24 0.30 -1.68 -0.02 -1.26 0.35 135.00 136.75 3knk n PRO 23 Ca -0.03 1.26 0.17 0.00 -2.02 0.00 0.00 63.50 62.88 3knk n PRO 23 Cb 0.51 -1.87 0.86 0.00 -0.02 0.00 0.00 33.50 32.98 3knk n PRO 23 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3knk h GLY 24 N 0.00 0.00 1.59 -1.23 0.00 -1.98 0.42 103.07 101.87 3knk h GLY 24 Ca 0.24 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.31 3knk h GLY 24 CO -0.81 0.00 -1.28 -1.82 0.00 0.00 0.00 176.54 172.64 3knk h TYR 25 N 0.00 0.28 0.00 5.60 -0.00 -0.50 -2.61 116.97 119.74 3knk h TYR 25 Ca 0.03 -0.20 0.00 0.00 -0.00 0.00 0.00 58.73 58.55 3knk h TYR 25 Cb 0.63 -0.01 0.00 0.00 -0.00 0.00 0.00 36.73 37.35 3knk h TYR 25 CO 0.00 1.19 0.00 0.00 -0.00 0.00 0.00 178.16 179.35 3knk n ALA 26 N -2.51 -0.19 -0.12 1.82 0.00 0.05 -1.43 120.51 118.13 3knk n ALA 26 Ca -0.08 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.63 3knk n ALA 26 Cb 1.00 0.00 0.71 0.00 0.00 0.00 0.00 19.45 21.17 3knk n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knk h ARG 27 N 0.00 0.00 0.00 0.00 3.08 -1.49 0.13 114.38 116.10 3knk h ARG 27 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3knk h ARG 27 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3knk h ARG 27 CO 0.00 0.00 -1.22 0.09 -1.07 0.00 0.00 179.97 177.77 3knk n ASN 28 N -3.95 1.88 0.02 7.04 4.13 -0.98 -4.38 115.26 119.00 3knk n ASN 28 Ca 0.16 -0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.20 3knk n ASN 28 Cb 0.95 1.36 0.00 0.00 -1.54 0.00 0.00 39.78 40.56 3knk n ASN 28 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3knk n TYR 29 N -1.70 -0.09 0.00 3.10 9.36 -1.00 -4.69 117.16 122.14 3knk n TYR 29 Ca -0.01 0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.23 3knk n TYR 29 Cb 0.26 0.07 0.00 0.00 -0.63 0.00 0.00 39.34 39.03 3knk n TYR 29 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3knk n LEU 30 N -2.75 0.00 -0.32 2.98 4.77 -0.52 -0.76 117.00 120.41 3knk n LEU 30 Ca 0.00 0.70 -0.11 0.00 -0.03 0.00 0.00 56.01 56.57 3knk n LEU 30 Cb 0.00 -0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 40.80 3knk n LEU 30 CO 0.00 -0.20 0.49 -0.07 -1.33 0.00 0.00 177.39 176.28 3knk h LEU 31 N 0.00 -1.91 -1.00 2.23 4.07 -0.87 0.22 115.31 118.05 3knk h LEU 31 Ca 0.00 0.28 0.36 0.00 0.08 0.00 0.00 57.88 58.60 3knk h LEU 31 Cb 0.00 0.83 -0.16 0.00 1.08 0.00 0.00 40.66 42.41 3knk h LEU 31 CO 0.00 -0.25 0.54 -0.65 -1.08 0.00 0.00 178.44 177.00 3knk h PRO 32 N -0.09 0.19 -0.16 1.13 0.11 -1.70 1.44 132.00 132.92 3knk h PRO 32 Ca 0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3knk h PRO 32 Cb 0.41 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.48 3knk h PRO 32 CO -0.78 0.12 0.00 0.54 -0.21 0.00 0.00 178.00 177.67 3knk n ARG 33 N -5.14 1.93 -3.47 1.05 1.74 0.53 -4.98 116.66 108.33 3knk n ARG 33 Ca 0.34 -1.39 -0.17 0.00 -0.77 0.00 0.00 57.85 55.86 3knk n ARG 33 Cb 1.09 -1.44 0.02 0.00 -1.02 0.00 0.00 32.46 31.10 3knk n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knk n GLY 34 N 1.24 -1.19 0.00 -0.13 0.00 0.49 -4.86 105.19 100.74 3knk n GLY 34 Ca 0.17 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.70 3knk n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3knk n LEU 35 N -2.78 0.86 0.00 0.99 4.77 -1.13 -4.95 117.00 114.76 3knk n LEU 35 Ca -0.13 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 3knk n LEU 35 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 3knk n LEU 35 CO 0.61 0.21 0.00 0.00 -1.33 0.00 0.00 177.39 176.88 3knk n ALA 36 N -0.02 0.00 -2.97 -1.18 0.00 -1.26 -1.83 120.51 113.24 3knk n ALA 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knk n ALA 36 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 3knk n ALA 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3knk n VAL 37 N -0.05 0.00 -4.22 0.00 0.31 -0.91 -3.97 118.33 109.50 3knk n VAL 37 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 3knk n VAL 37 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 3knk n VAL 37 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3knk s LEU 38 N 0.00 2.50 0.03 7.52 1.02 -1.26 -4.20 118.68 124.28 3knk s LEU 38 Ca 0.00 -1.43 -0.25 0.00 0.02 0.00 0.00 54.13 52.47 3knk s LEU 38 Cb 0.00 -0.98 -0.18 0.00 0.02 0.00 0.00 46.19 45.05 3knk s LEU 38 CO 0.00 -1.05 1.44 0.00 0.02 0.00 0.00 176.35 176.75 3knk h ALA 39 N 0.93 -0.12 0.00 4.21 0.00 -1.78 -3.39 119.26 119.11 3knk h ALA 39 Ca -0.39 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3knk h ALA 39 Cb 1.31 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3knk h ALA 39 CO 0.63 -0.43 0.00 0.25 0.00 0.00 0.00 179.25 179.70 3knk n THR 40 N -5.01 0.00 -0.01 0.00 -2.24 -1.26 -4.44 114.28 101.31 3knk n THR 40 Ca -0.08 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.75 3knk n THR 40 Cb 0.18 0.00 0.44 0.00 -2.10 0.00 0.00 70.33 68.85 3knk n THR 40 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3knk h GLU 41 N 0.00 0.52 0.00 -0.78 9.09 -1.97 -2.30 114.58 119.13 3knk h GLU 41 Ca 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.38 3knk h GLU 41 Cb 0.00 -0.12 0.00 0.00 -1.65 0.00 0.00 28.75 26.98 3knk h GLU 41 CO 0.00 0.34 0.00 0.45 0.05 0.00 0.00 179.01 179.85 3knk n SER 42 N -4.48 0.00 -0.38 3.06 2.88 -1.26 -1.07 113.62 112.37 3knk n SER 42 Ca 0.04 0.19 -0.01 0.00 -1.33 0.00 0.00 58.87 57.76 3knk n SER 42 Cb 0.09 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.68 3knk n SER 42 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3knk h ASN 43 N 0.00 1.13 -0.80 -3.46 -1.07 -1.91 -2.42 115.58 107.04 3knk h ASN 43 Ca 0.00 -0.02 0.09 0.00 0.07 0.00 0.00 56.30 56.44 3knk h ASN 43 Cb 0.00 -0.27 -0.11 0.00 -2.07 0.00 0.00 38.32 35.87 3knk h ASN 43 CO 0.00 0.80 -0.41 -0.11 0.07 0.00 0.00 177.43 177.78 3knk n LEU 44 N -4.41 -0.73 -0.09 6.14 7.94 -0.87 0.15 117.00 125.14 3knk n LEU 44 Ca 0.13 1.42 -0.10 0.00 -1.11 0.00 0.00 56.01 56.35 3knk n LEU 44 Cb 0.05 -0.24 0.04 0.00 0.53 0.00 0.00 43.42 43.80 3knk n LEU 44 CO 0.36 -1.20 0.62 0.11 -1.11 0.00 0.00 177.39 176.17 3knk h LYS 45 N 0.00 0.82 -0.85 1.96 6.56 -0.75 -2.59 116.57 121.72 3knk h LYS 45 Ca 0.19 -0.39 0.21 0.00 -1.06 0.00 0.00 60.65 59.59 3knk h LYS 45 Cb 0.39 -0.01 -0.12 0.00 -0.57 0.00 0.00 32.23 31.91 3knk h LYS 45 CO -0.77 1.02 0.31 0.00 -2.06 0.00 0.00 179.45 177.95 3knk h ALA 46 N 0.94 1.28 -0.72 3.86 0.00 0.19 2.53 119.26 127.33 3knk h ALA 46 Ca 0.07 0.17 0.20 0.00 0.00 0.00 0.00 54.91 55.36 3knk h ALA 46 Cb 0.87 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3knk h ALA 46 CO 0.08 -0.36 0.51 1.25 0.00 0.00 0.00 179.25 180.73 3knk h LEU 47 N 0.34 0.07 -1.13 0.00 6.46 0.37 0.53 115.31 121.94 3knk h LEU 47 Ca 0.52 0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 58.20 3knk h LEU 47 Cb 0.97 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.88 3knk h LEU 47 CO -0.54 0.03 -0.28 -0.33 -0.62 0.00 0.00 178.44 176.70 3knk h GLU 48 N 0.07 0.26 0.16 1.25 5.08 0.43 -2.32 114.58 119.52 3knk h GLU 48 Ca 0.35 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 3knk h GLU 48 Cb 1.28 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3knk h GLU 48 CO -0.03 0.52 -0.08 0.00 -1.00 0.00 0.00 179.01 178.42 3knk h ALA 49 N 1.49 -0.22 0.00 3.43 0.00 0.33 -1.13 119.26 123.16 3knk h ALA 49 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3knk h ALA 49 Cb 0.62 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3knk h ALA 49 CO 0.04 -0.46 0.00 2.89 0.00 0.00 0.00 179.25 181.73 3knk n ARG 50 N -5.04 0.14 -0.07 0.00 1.85 -1.11 -0.45 116.66 111.98 3knk n ARG 50 Ca -0.09 0.53 -0.10 0.00 -1.00 0.00 0.00 57.85 57.20 3knk n ARG 50 Cb 0.22 -1.87 -0.07 0.00 -1.05 0.00 0.00 32.46 29.70 3knk n ARG 50 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 3knk h ILE 51 N 0.00 0.77 -0.41 8.89 1.08 -1.03 -3.30 117.51 123.51 3knk h ILE 51 Ca 0.00 -1.67 -0.01 0.00 -0.39 0.00 0.00 64.86 62.79 3knk h ILE 51 Cb 0.15 1.54 -0.02 0.00 -3.07 0.00 0.00 36.82 35.42 3knk h ILE 51 CO 0.00 0.26 0.22 0.03 -0.69 0.00 0.00 178.15 177.97 3knk h ARG 52 N -1.00 0.57 0.00 2.37 2.47 -0.85 -2.15 114.38 115.79 3knk h ARG 52 Ca -0.07 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 3knk h ARG 52 Cb 0.66 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 3knk h ARG 52 CO -0.04 0.46 0.00 0.00 0.56 0.00 0.00 179.97 180.95 3knk n ALA 53 N -2.26 1.53 -0.14 0.04 0.00 0.40 0.16 120.51 120.24 3knk n ALA 53 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3knk n ALA 53 Cb 0.08 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3knk n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knk n GLN 54 N -1.04 -0.50 -0.03 0.00 -0.00 -0.85 -4.10 117.38 110.85 3knk n GLN 54 Ca 0.01 -0.52 -0.04 0.00 -0.00 0.00 0.00 57.00 56.45 3knk n GLN 54 Cb 0.01 -0.93 -0.04 0.00 -0.00 0.00 0.00 30.24 29.28 3knk n GLN 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3knk n ALA 55 N -0.04 1.85 0.08 2.61 0.00 0.35 -4.00 120.51 121.36 3knk n ALA 55 Ca 0.00 -0.34 -0.23 0.00 0.00 0.00 0.00 53.44 52.87 3knk n ALA 55 Cb 0.06 0.24 -0.15 0.00 0.00 0.00 0.00 19.45 19.60 3knk n ALA 55 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3knk h LYS 56 N 0.00 0.41 0.00 0.00 1.79 0.14 -2.56 116.57 116.34 3knk h LYS 56 Ca -0.16 -0.70 -0.03 0.00 -2.18 0.00 0.00 60.65 57.59 3knk h LYS 56 Cb 1.29 0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 32.20 3knk h LYS 56 CO -0.01 1.33 -0.14 0.00 -1.08 0.00 0.00 179.45 179.55 3knk h ARG 57 N 0.03 0.00 0.07 3.15 2.47 -1.71 -2.59 114.38 115.80 3knk h ARG 57 Ca -0.31 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.16 3knk h ARG 57 Cb 2.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.37 3knk h ARG 57 CO 0.19 0.14 -1.11 1.25 0.56 0.00 0.00 179.97 181.00 3knk h LEU 58 N 0.00 0.43 0.00 3.04 5.85 -1.69 -2.35 115.31 120.59 3knk h LEU 58 Ca -0.00 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3knk h LEU 58 Cb 0.71 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3knk h LEU 58 CO 0.02 1.27 0.00 0.00 -0.34 0.00 0.00 178.44 179.39 3knk n ALA 59 N -2.52 2.02 -0.06 1.25 0.00 -0.97 -2.86 120.51 117.37 3knk n ALA 59 Ca -0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.26 3knk n ALA 59 Cb 0.94 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 19.20 3knk n ALA 59 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3knk h GLU 60 N 0.00 0.00 -0.21 0.00 4.57 -1.35 -3.14 114.58 114.45 3knk h GLU 60 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 3knk h GLU 60 Cb 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.52 3knk h GLU 60 CO 0.00 0.00 -0.24 0.00 -1.18 0.00 0.00 179.01 177.59 3knk h ARG 61 N -0.90 -0.26 -0.75 1.92 -0.00 -1.57 -1.35 114.38 111.47 3knk h ARG 61 Ca 0.00 0.02 0.08 0.00 -0.50 0.00 0.00 59.98 59.58 3knk h ARG 61 Cb 0.42 0.06 -0.07 0.00 0.00 0.00 0.00 29.97 30.38 3knk h ARG 61 CO 0.00 -0.17 0.42 1.57 0.00 0.00 0.00 179.97 181.79 3knk h LYS 62 N -0.27 0.71 -0.34 0.04 5.09 -1.75 0.31 116.57 120.36 3knk h LYS 62 Ca 0.13 -0.04 0.00 0.00 0.09 0.00 0.00 60.65 60.82 3knk h LYS 62 Cb 0.46 -0.16 0.00 0.00 0.10 0.00 0.00 32.23 32.63 3knk h LYS 62 CO -0.36 0.47 0.00 0.00 -2.09 0.00 0.00 179.45 177.47 3knk n ALA 63 N -2.37 2.43 -1.58 0.07 0.00 -0.70 -1.15 120.51 117.20 3knk n ALA 63 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3knk n ALA 63 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3knk n ALA 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3knk n GLU 64 N -0.31 0.00 -0.00 0.00 -0.58 0.29 -4.29 120.64 115.75 3knk n GLU 64 Ca 0.00 -0.68 0.00 0.00 -0.42 0.00 0.00 57.16 56.06 3knk n GLU 64 Cb 0.09 -0.45 0.00 0.00 -0.57 0.00 0.00 31.44 30.51 3knk n GLU 64 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3knk n ALA 65 N 0.00 1.65 -0.22 0.62 0.00 0.82 -4.55 120.51 118.83 3knk n ALA 65 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.61 3knk n ALA 65 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3knk n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3knk n GLU 66 N -0.32 0.00 -0.79 0.00 -0.58 -0.92 -4.32 120.64 113.71 3knk n GLU 66 Ca 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 3knk n GLU 66 Cb 0.34 -0.00 0.20 0.00 -0.57 0.00 0.00 31.44 31.40 3knk n GLU 66 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3knk n ARG 67 N 0.00 2.71 0.00 3.49 3.00 -1.26 -2.75 116.66 121.85 3knk n ARG 67 Ca 0.00 -2.23 0.00 0.00 -0.01 0.00 0.00 57.85 55.61 3knk n ARG 67 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 32.46 30.52 3knk n ARG 67 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3knk n LEU 68 N -0.22 0.00 0.29 0.55 0.00 -1.26 -4.90 117.00 111.47 3knk n LEU 68 Ca 0.34 0.00 -0.16 0.00 0.00 0.00 0.00 56.01 56.18 3knk n LEU 68 Cb 1.18 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 44.52 3knk n LEU 68 CO 0.36 0.00 0.67 0.11 0.00 0.00 0.00 177.39 178.53 3knk h LYS 69 N 0.00 -0.68 -1.76 1.96 1.57 -1.74 0.63 116.57 116.54 3knk h LYS 69 Ca 0.00 0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 3knk h LYS 69 Cb 0.00 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3knk h LYS 69 CO 0.00 -0.43 0.08 -0.85 -0.57 0.00 0.00 179.45 177.67 3knk n GLU 70 N -5.38 1.15 0.00 3.15 0.28 -1.11 -2.04 120.64 116.69 3knk n GLU 70 Ca -0.12 -0.30 0.00 0.00 -0.16 0.00 0.00 57.16 56.58 3knk n GLU 70 Cb 0.30 -1.12 0.00 0.00 1.43 0.00 0.00 31.44 32.05 3knk n GLU 70 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 3knk n ILE 71 N 1.13 0.00 -2.52 3.84 -5.35 -1.16 -4.94 119.36 110.36 3knk n ILE 71 Ca 0.06 0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.31 3knk n ILE 71 Cb 0.53 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 38.44 3knk n ILE 71 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 3knk n LEU 72 N -0.81 3.96 0.00 7.28 -0.00 0.22 -4.25 117.00 123.40 3knk n LEU 72 Ca 0.00 -4.87 0.00 0.00 -0.00 0.00 0.00 56.01 51.14 3knk n LEU 72 Cb 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 43.42 43.17 3knk n LEU 72 CO 0.00 2.08 -0.02 1.21 -0.00 0.00 0.00 177.39 180.66 3knk n GLU 73 N -0.39 1.01 0.05 1.96 2.13 -0.86 -4.67 120.64 119.87 3knk n GLU 73 Ca 0.32 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 58.10 3knk n GLU 73 Cb 0.70 -0.52 -0.09 0.00 0.27 0.00 0.00 31.44 31.80 3knk n GLU 73 CO 0.00 0.00 0.00 -2.95 -0.41 0.00 0.00 177.13 173.77 3knk h ASN 74 N 0.00 0.00 -4.13 4.31 7.08 -1.80 -3.44 115.58 117.60 3knk h ASN 74 Ca 0.00 0.00 -0.53 0.00 -3.08 0.00 0.00 56.30 52.69 3knk h ASN 74 Cb 0.03 0.00 0.12 0.00 -2.08 0.00 0.00 38.32 36.39 3knk h ASN 74 CO 0.00 0.83 0.44 -0.22 -2.08 0.00 0.00 177.43 176.40 3knk s LEU 75 N -6.35 3.54 0.00 6.14 2.96 -1.26 -5.02 118.68 118.69 3knk s LEU 75 Ca -0.00 2.33 0.00 0.00 -0.22 0.00 0.00 54.13 56.24 3knk s LEU 75 Cb 0.09 -4.59 0.00 0.00 0.50 0.00 0.00 46.19 42.19 3knk s LEU 75 CO 0.80 -1.77 0.00 0.35 -1.32 0.00 0.00 176.35 174.41 3knk n THR 76 N -1.99 0.00 -1.75 3.68 -2.24 -1.26 -4.31 114.28 106.41 3knk n THR 76 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 3knk n THR 76 Cb 0.50 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 3knk n THR 76 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3knk n LEU 77 N -2.20 -3.91 -4.26 3.22 0.00 -1.26 -3.79 117.00 104.80 3knk n LEU 77 Ca 0.00 2.83 -0.31 0.00 0.00 0.00 0.00 56.01 58.52 3knk n LEU 77 Cb 0.41 -2.98 -0.16 0.00 0.00 0.00 0.00 43.42 40.69 3knk n LEU 77 CO 0.00 -0.15 -0.56 -0.89 0.00 0.00 0.00 177.39 175.78 3knk s THR 78 N -2.50 2.03 -0.25 1.96 2.01 -1.26 -1.45 115.64 116.17 3knk s THR 78 Ca 0.00 -1.05 -0.12 0.00 0.31 0.00 0.00 61.69 60.83 3knk s THR 78 Cb 0.00 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.75 3knk s THR 78 CO 0.00 0.56 0.22 -0.63 -0.69 0.00 0.00 174.62 174.08 3knk s ILE 79 N -0.18 5.31 -1.17 1.82 -1.09 0.47 -4.89 121.20 121.46 3knk s ILE 79 Ca -0.03 0.27 -0.17 0.00 -2.23 0.00 0.00 60.65 58.49 3knk s ILE 79 Cb -0.13 -3.55 -0.05 0.00 -1.58 0.00 0.00 42.46 37.15 3knk s ILE 79 CO 0.03 0.28 2.12 -0.81 -1.23 0.00 0.00 174.94 175.33 3knk n PRO 80 N 4.67 2.30 -1.68 2.79 -0.04 -1.26 0.30 135.00 142.07 3knk n PRO 80 Ca -0.13 -2.26 -0.30 0.00 -0.04 0.00 0.00 63.50 60.76 3knk n PRO 80 Cb 0.52 -3.11 0.20 0.00 -0.04 0.00 0.00 33.50 31.07 3knk n PRO 80 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3knk s VAL 81 N 3.93 1.88 -0.37 0.52 1.01 -0.84 -4.90 120.40 121.62 3knk s VAL 81 Ca 0.52 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.50 3knk s VAL 81 Cb 0.14 -2.85 0.12 0.00 0.00 0.00 0.00 36.38 33.79 3knk s VAL 81 CO -0.00 0.00 0.17 -0.60 0.00 0.00 0.00 175.10 174.67 3knk s ARG 82 N -5.76 0.93 0.00 2.72 3.52 -1.26 -4.23 118.95 114.87 3knk s ARG 82 Ca 0.73 -1.49 0.00 0.00 -0.13 0.00 0.00 55.73 54.84 3knk s ARG 82 Cb -0.05 -2.03 0.00 0.00 -1.56 0.00 0.00 34.95 31.30 3knk s ARG 82 CO 0.54 -1.09 0.00 0.00 -0.81 0.00 0.00 175.30 173.94 3knk n ALA 83 N 4.20 0.01 0.00 6.12 0.00 -1.26 -3.81 120.51 125.76 3knk n ALA 83 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3knk n ALA 83 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 3knk n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knk n GLY 84 N 0.00 2.04 5.78 0.00 0.00 -1.26 -4.93 105.19 106.83 3knk n GLY 84 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3knk n GLY 84 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3knk n GLU 85 N 0.00 0.00 0.00 1.61 -0.58 -1.26 -4.62 120.64 115.79 3knk n GLU 85 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3knk n GLU 85 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3knk n GLU 85 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3knk n THR 86 N 0.00 0.00 -1.12 2.62 -2.24 -1.26 -4.50 114.28 107.78 3knk n THR 86 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 3knk n THR 86 Cb 0.00 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3knk n THR 86 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3knk n LYS 87 N 0.00 0.00 -3.74 -0.78 -0.00 -1.26 -3.92 118.16 108.46 3knk n LYS 87 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.94 3knk n LYS 87 Cb 0.00 -0.87 -0.12 0.00 -0.00 0.00 0.00 35.03 34.04 3knk n LYS 87 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3knk s ILE 88 N -1.48 4.21 0.00 0.58 -1.09 -1.18 -4.03 121.20 118.21 3knk s ILE 88 Ca 0.51 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 3knk s ILE 88 Cb -0.54 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 3knk s ILE 88 CO 0.55 0.20 0.70 -1.22 -1.23 0.00 0.00 174.94 173.94 3knk n TYR 89 N 4.91 0.00 -1.89 3.97 4.02 -1.25 -4.38 117.16 122.54 3knk n TYR 89 Ca -0.15 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.41 3knk n TYR 89 Cb 0.50 -0.20 0.03 0.00 -0.02 0.00 0.00 39.34 39.64 3knk n TYR 89 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3knk s GLY 90 N -0.41 2.09 0.00 2.72 0.00 -1.26 -5.05 107.32 105.41 3knk s GLY 90 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.14 3knk s GLY 90 CO 0.00 0.75 0.00 -1.14 0.00 0.00 0.00 173.10 172.71 3knk n SER 91 N -2.28 0.09 -3.46 1.64 3.41 -1.26 -4.75 113.62 107.01 3knk n SER 91 Ca 0.09 -1.00 -0.20 0.00 -0.26 0.00 0.00 58.87 57.50 3knk n SER 91 Cb 0.53 -0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.36 3knk n SER 91 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3knk s VAL 92 N 0.91 -0.32 0.00 -3.33 0.11 -1.26 -4.90 120.40 111.61 3knk s VAL 92 Ca 0.00 -0.40 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 3knk s VAL 92 Cb -0.00 -0.87 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 3knk s VAL 92 CO 0.00 -0.42 0.00 0.35 -3.33 0.00 0.00 175.10 171.70 3knk n THR 93 N 5.30 0.00 0.00 5.04 -2.24 -1.26 -2.94 114.28 118.19 3knk n THR 93 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3knk n THR 93 Cb 0.47 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 3knk n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3knk n ALA 94 N -3.00 -0.26 -0.29 6.98 0.00 -1.26 -2.10 120.51 120.57 3knk n ALA 94 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3knk n ALA 94 Cb 0.00 0.20 0.18 0.00 0.00 0.00 0.00 19.45 19.83 3knk n ALA 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3knk h LYS 95 N 0.00 0.05 -0.66 0.00 5.09 -1.97 0.76 116.57 119.84 3knk h LYS 95 Ca 0.00 -0.00 0.08 0.00 0.09 0.00 0.00 60.65 60.82 3knk h LYS 95 Cb 0.00 -0.01 -0.04 0.00 0.10 0.00 0.00 32.23 32.28 3knk h LYS 95 CO 0.00 0.03 0.44 -0.44 -2.09 0.00 0.00 179.45 177.39 3knk h ASP 96 N 0.05 0.51 1.45 7.07 3.32 -1.92 0.16 116.42 127.07 3knk h ASP 96 Ca 0.46 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.52 3knk h ASP 96 Cb 0.84 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.29 3knk h ASP 96 CO -0.79 0.32 0.00 0.40 -1.72 0.00 0.00 179.24 177.44 3knk h ILE 97 N 0.57 0.00 0.00 0.35 2.04 0.11 -3.18 117.51 117.40 3knk h ILE 97 Ca 0.30 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3knk h ILE 97 Cb 0.41 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 3knk h ILE 97 CO -0.09 0.00 -0.50 0.00 0.00 0.00 0.00 178.15 177.55 3knk n ALA 98 N -1.81 0.44 -0.25 1.87 0.00 -0.30 -4.50 120.51 115.96 3knk n ALA 98 Ca 0.05 -0.51 0.20 0.00 0.00 0.00 0.00 53.44 53.18 3knk n ALA 98 Cb 0.42 0.02 0.38 0.00 0.00 0.00 0.00 19.45 20.26 3knk n ALA 98 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3knk n GLU 99 N -3.58 -0.05 -2.86 0.00 1.02 0.41 0.15 120.64 115.72 3knk n GLU 99 Ca -0.07 1.07 -0.43 0.00 -0.02 0.00 0.00 57.16 57.72 3knk n GLU 99 Cb 0.26 -1.86 0.01 0.00 -0.02 0.00 0.00 31.44 29.84 3knk n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3knk n ALA 100 N -2.71 5.40 0.00 0.62 0.00 -1.20 -3.31 120.51 119.30 3knk n ALA 100 Ca 0.25 -4.72 0.00 0.00 0.00 0.00 0.00 53.44 48.98 3knk n ALA 100 Cb 0.85 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.91 3knk n ALA 100 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3knk n LEU 101 N 1.32 0.00 -0.51 0.00 7.94 0.11 -4.69 117.00 121.18 3knk n LEU 101 Ca 0.31 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.34 3knk n LEU 101 Cb 0.32 0.00 0.23 0.00 0.53 0.00 0.00 43.42 44.50 3knk n LEU 101 CO 0.70 0.00 0.58 -1.20 -1.11 0.00 0.00 177.39 176.36 3knk n SER 102 N 0.00 1.81 0.00 1.96 7.64 0.12 -2.68 113.62 122.47 3knk n SER 102 Ca 0.00 -1.42 0.00 0.00 1.01 0.00 0.00 58.87 58.46 3knk n SER 102 Cb 0.00 0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 3knk n SER 102 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3knk n ARG 103 N 0.08 0.00 0.05 1.43 1.74 -1.22 -3.82 116.66 114.92 3knk n ARG 103 Ca 0.13 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.27 3knk n ARG 103 Cb 0.44 -0.41 0.29 0.00 -1.02 0.00 0.00 32.46 31.76 3knk n ARG 103 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3knk n GLN 104 N -1.54 0.06 0.00 5.56 7.27 -1.26 -3.49 117.38 123.98 3knk n GLN 104 Ca 0.00 0.42 0.00 0.00 0.07 0.00 0.00 57.00 57.49 3knk n GLN 104 Cb 0.00 -1.64 0.00 0.00 2.41 0.00 0.00 30.24 31.01 3knk n GLN 104 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3knk n HIS 105 N -1.75 0.00 -0.67 3.69 8.25 -1.25 -4.90 115.22 118.60 3knk n HIS 105 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 3knk n HIS 105 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3knk n HIS 105 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3knk n GLY 106 N 0.79 0.65 0.95 -1.41 0.00 -1.22 -5.00 105.19 99.93 3knk n GLY 106 Ca 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 3knk n GLY 106 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3knk n VAL 107 N -2.67 0.00 -4.14 1.61 0.31 -1.09 -4.90 118.33 107.46 3knk n VAL 107 Ca 0.00 -0.33 -0.15 0.00 -0.01 0.00 0.00 64.34 63.85 3knk n VAL 107 Cb 0.00 -1.51 -0.12 0.00 -0.91 0.00 0.00 33.84 31.29 3knk n VAL 107 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3knk s THR 108 N -1.03 0.66 0.04 2.52 2.01 -1.26 -4.26 115.64 114.32 3knk s THR 108 Ca 0.17 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 61.25 3knk s THR 108 Cb -0.01 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 3knk s THR 108 CO 0.12 -0.21 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.18 3knk s ILE 109 N -1.03 0.20 -0.90 1.82 1.09 -1.26 -5.04 121.20 116.07 3knk s ILE 109 Ca -0.05 -1.59 -0.08 0.00 -1.10 0.00 0.00 60.65 57.84 3knk s ILE 109 Cb -0.08 -1.21 0.23 0.00 -1.06 0.00 0.00 42.46 40.34 3knk s ILE 109 CO 0.01 -0.87 0.83 -0.62 -0.10 0.00 0.00 174.94 174.18 3knk s ASP 110 N -2.56 6.50 0.00 3.58 2.15 -1.26 -4.95 116.67 120.13 3knk s ASP 110 Ca 0.01 -3.27 0.00 0.00 0.43 0.00 0.00 52.55 49.72 3knk s ASP 110 Cb 0.03 -2.07 0.00 0.00 -0.30 0.00 0.00 42.92 40.58 3knk s ASP 110 CO -0.08 -0.35 0.00 -0.81 -0.17 0.00 0.00 175.17 173.77 3knk n PRO 111 N 3.06 0.00 0.10 4.34 -0.04 -1.26 -2.93 135.00 138.27 3knk n PRO 111 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 3knk n PRO 111 Cb 0.40 -0.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 3knk n PRO 111 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3knk n LYS 112 N 1.35 0.00 -1.46 0.54 4.01 -1.26 -4.66 118.16 116.67 3knk n LYS 112 Ca 0.00 0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.47 3knk n LYS 112 Cb 0.00 -0.06 -0.05 0.00 -0.51 0.00 0.00 35.03 34.41 3knk n LYS 112 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 3knk n ARG 113 N -3.23 3.52 0.00 1.97 1.85 -1.15 -4.29 116.66 115.33 3knk n ARG 113 Ca 0.00 -2.35 0.10 0.00 -1.00 0.00 0.00 57.85 54.60 3knk n ARG 113 Cb 0.00 -2.54 -0.04 0.00 -1.05 0.00 0.00 32.46 28.82 3knk n ARG 113 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3knk n LEU 114 N 2.59 0.86 -3.49 2.89 4.77 -1.26 -3.65 117.00 119.72 3knk n LEU 114 Ca 0.65 -0.37 -0.24 0.00 -0.03 0.00 0.00 56.01 56.02 3knk n LEU 114 Cb 0.39 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.48 3knk n LEU 114 CO 0.63 0.21 -0.02 0.00 -1.33 0.00 0.00 177.39 176.87 3knk n ALA 115 N -1.53 -2.49 -3.74 -1.18 0.00 -1.26 -3.76 120.51 106.54 3knk n ALA 115 Ca 0.04 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.12 3knk n ALA 115 Cb 0.34 -4.77 -0.16 0.00 0.00 0.00 0.00 19.45 14.87 3knk n ALA 115 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3knk s LEU 116 N -6.00 1.85 0.00 0.00 2.96 -1.26 -4.33 118.68 111.90 3knk s LEU 116 Ca 0.44 -1.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.03 3knk s LEU 116 Cb -0.11 -0.78 0.00 0.00 0.50 0.00 0.00 46.19 45.80 3knk s LEU 116 CO 0.80 -0.37 0.00 -1.84 -1.32 0.00 0.00 176.35 173.63 3knk n GLU 117 N 4.92 1.63 -0.87 1.98 0.28 -1.26 -4.78 120.64 122.54 3knk n GLU 117 Ca -0.05 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.63 3knk n GLU 117 Cb 0.44 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.28 3knk n GLU 117 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 3knk n LYS 118 N 0.00 0.00 -1.84 3.44 2.85 -1.26 -4.77 118.16 116.57 3knk n LYS 118 Ca 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 3knk n LYS 118 Cb 0.00 -0.74 -0.03 0.00 -0.65 0.00 0.00 35.03 33.61 3knk n LYS 118 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 3knk s PRO 119 N -0.31 4.17 0.00 -1.58 0.04 -1.26 -4.92 135.00 131.13 3knk s PRO 119 Ca 0.46 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.93 3knk s PRO 119 Cb -0.65 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.21 3knk s PRO 119 CO 0.34 -0.79 0.02 -0.89 0.04 0.00 0.00 177.00 175.71 3knk n ILE 120 N 4.85 0.00 -2.06 0.56 5.41 -1.15 -4.64 119.36 122.33 3knk n ILE 120 Ca 0.17 0.07 -0.06 0.00 1.00 0.00 0.00 62.75 63.93 3knk n ILE 120 Cb 0.40 -0.13 -0.00 0.00 -0.71 0.00 0.00 39.64 39.19 3knk n ILE 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3knk n LYS 121 N -0.18 -0.52 -3.29 0.38 3.00 -1.26 -4.94 118.16 111.36 3knk n LYS 121 Ca 0.00 0.34 0.03 0.00 -0.00 0.00 0.00 58.31 58.68 3knk n LYS 121 Cb 0.00 -4.20 -0.03 0.00 0.00 0.00 0.00 35.03 30.80 3knk n LYS 121 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3knk s GLU 122 N -4.21 0.21 0.38 1.64 -6.30 -1.26 -3.12 118.70 106.05 3knk s GLU 122 Ca 0.00 0.50 -0.24 0.00 -2.50 0.00 0.00 54.97 52.73 3knk s GLU 122 Cb 0.00 0.30 -0.13 0.00 0.00 0.00 0.00 34.13 34.29 3knk s GLU 122 CO 0.00 -0.11 0.60 1.28 0.02 0.00 0.00 175.26 177.04 3knk n LEU 123 N 5.01 0.01 0.00 2.70 4.77 -1.25 -4.91 117.00 123.32 3knk n LEU 123 Ca -0.08 0.97 0.00 0.00 -0.03 0.00 0.00 56.01 56.87 3knk n LEU 123 Cb 0.53 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 3knk n LEU 123 CO -0.06 -2.72 0.00 0.61 -1.33 0.00 0.00 177.39 173.89 3knk n GLY 124 N 1.74 0.41 3.54 -0.72 0.00 -1.24 -5.04 105.19 103.89 3knk n GLY 124 Ca 0.12 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 44.16 3knk n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3knk s GLU 125 N -2.00 3.79 0.11 1.61 0.41 -1.26 -1.90 118.70 119.46 3knk s GLU 125 Ca 0.00 -0.44 0.07 0.00 -0.41 0.00 0.00 54.97 54.19 3knk s GLU 125 Cb 0.00 -3.13 -0.04 0.00 -1.78 0.00 0.00 34.13 29.19 3knk s GLU 125 CO 0.00 0.16 -0.17 0.71 -0.49 0.00 0.00 175.26 175.47 3knk s TYR 126 N 0.65 1.54 -0.17 1.61 1.51 -0.94 -4.99 117.35 116.55 3knk s TYR 126 Ca 0.01 -0.48 0.00 0.00 -1.01 0.00 0.00 57.07 55.59 3knk s TYR 126 Cb -0.14 -0.82 0.03 0.00 -0.11 0.00 0.00 41.96 40.93 3knk s TYR 126 CO 0.02 0.17 -0.10 0.08 -1.11 0.00 0.00 175.55 174.61 3knk s VAL 127 N -1.66 1.46 0.47 0.71 1.01 -1.26 -1.14 120.40 120.00 3knk s VAL 127 Ca 0.07 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.34 3knk s VAL 127 Cb -0.08 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 3knk s VAL 127 CO 0.04 0.27 0.07 -0.76 0.00 0.00 0.00 175.10 174.72 3knk s LEU 128 N 1.50 2.62 0.00 3.92 1.43 -0.00 -4.95 118.68 123.20 3knk s LEU 128 Ca 0.02 -1.45 0.00 0.00 -1.03 0.00 0.00 54.13 51.67 3knk s LEU 128 Cb -0.15 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.14 3knk s LEU 128 CO -0.09 -0.72 0.00 0.35 0.23 0.00 0.00 176.35 176.12 3knk n THR 129 N -1.23 0.00 0.00 5.49 -2.24 -1.25 -1.33 114.28 113.72 3knk n THR 129 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3knk n THR 129 Cb 0.66 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 3knk n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3knk n TYR 130 N 0.00 0.00 -0.23 4.78 9.36 -1.25 -4.54 117.16 125.29 3knk n TYR 130 Ca 0.00 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.25 3knk n TYR 130 Cb 0.00 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.70 3knk n TYR 130 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3knk n LYS 131 N -1.97 -0.52 0.00 2.98 4.76 -1.24 -2.80 118.16 119.38 3knk n LYS 131 Ca 0.00 0.42 0.00 0.00 -2.87 0.00 0.00 58.31 55.86 3knk n LYS 131 Cb 0.00 -0.61 0.00 0.00 -1.84 0.00 0.00 35.03 32.58 3knk n LYS 131 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3knk n PRO 132 N -2.47 0.00 0.00 1.97 -0.02 -1.26 -4.78 135.00 128.44 3knk n PRO 132 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3knk n PRO 132 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.59 3knk n PRO 132 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3knk n HIS 133 N 0.00 0.00 -2.46 6.00 -0.00 -1.26 -4.56 115.22 112.93 3knk n HIS 133 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.29 3knk n HIS 133 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 29.97 3knk n HIS 133 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 3knk s PRO 134 N -0.45 4.24 0.77 -1.40 0.02 -1.26 -4.98 135.00 131.94 3knk s PRO 134 Ca 0.00 1.61 -0.07 0.00 0.02 0.00 0.00 61.00 62.56 3knk s PRO 134 Cb 0.00 -3.74 0.12 0.00 0.02 0.00 0.00 34.50 30.90 3knk s PRO 134 CO 0.00 -0.69 1.08 -1.21 -0.33 0.00 0.00 177.00 175.85 3knk s GLU 135 N 3.43 1.61 -0.29 5.54 2.02 -1.26 -4.91 118.70 124.84 3knk s GLU 135 Ca 0.53 -0.61 -0.03 0.00 0.02 0.00 0.00 54.97 54.88 3knk s GLU 135 Cb -0.21 -2.15 0.11 0.00 0.10 0.00 0.00 34.13 31.98 3knk s GLU 135 CO 0.13 -1.61 0.16 0.54 0.02 0.00 0.00 175.26 174.51 3knk s VAL 136 N -3.36 -0.12 -0.11 2.63 0.11 -1.12 -5.02 120.40 113.41 3knk s VAL 136 Ca 0.66 -0.74 -0.30 0.00 -2.93 0.00 0.00 61.98 58.67 3knk s VAL 136 Cb -0.07 -0.98 -0.02 0.00 -1.53 0.00 0.00 36.38 33.78 3knk s VAL 136 CO 0.47 -0.69 1.09 -2.84 -3.33 0.00 0.00 175.10 169.79 3knk s PRO 137 N 2.11 4.37 0.10 1.54 0.02 -1.26 -3.79 135.00 138.10 3knk s PRO 137 Ca 0.09 1.49 0.10 0.00 0.02 0.00 0.00 61.00 62.70 3knk s PRO 137 Cb -0.16 -3.57 -0.04 0.00 0.02 0.00 0.00 34.50 30.75 3knk s PRO 137 CO -0.35 -0.42 -0.25 -1.50 -0.33 0.00 0.00 177.00 174.16 3knk s ILE 138 N 2.31 2.05 0.38 2.83 2.07 -0.44 -4.76 121.20 125.63 3knk s ILE 138 Ca 0.50 -1.61 0.06 0.00 -1.41 0.00 0.00 60.65 58.20 3knk s ILE 138 Cb -0.20 -1.81 -0.00 0.00 0.13 0.00 0.00 42.46 40.58 3knk s ILE 138 CO 0.17 0.09 0.53 -1.58 -1.91 0.00 0.00 174.94 172.25 3knk s GLN 139 N -1.84 3.00 -0.25 3.50 0.74 -1.26 -0.82 119.66 122.74 3knk s GLN 139 Ca 0.11 -1.01 -0.09 0.00 0.05 0.00 0.00 55.36 54.41 3knk s GLN 139 Cb -0.10 -2.76 0.10 0.00 1.10 0.00 0.00 33.01 31.35 3knk s GLN 139 CO 0.05 -0.10 0.54 -1.17 -0.55 0.00 0.00 175.29 174.06 3knk s LEU 140 N -4.29 -0.82 -0.62 3.68 2.96 -0.29 -4.62 118.68 114.67 3knk s LEU 140 Ca 0.49 1.28 -0.20 0.00 -0.22 0.00 0.00 54.13 55.48 3knk s LEU 140 Cb -0.10 1.85 0.10 0.00 0.50 0.00 0.00 46.19 48.54 3knk s LEU 140 CO 0.33 -0.22 0.78 -1.59 -1.32 0.00 0.00 176.35 174.32 3knk s LYS 141 N 2.48 3.08 -0.08 1.98 -2.85 -0.53 -2.23 119.74 121.59 3knk s LYS 141 Ca -0.05 -1.22 -0.30 0.00 -1.00 0.00 0.00 55.97 53.40 3knk s LYS 141 Cb -0.11 -4.27 -0.03 0.00 -2.06 0.00 0.00 37.83 31.36 3knk s LYS 141 CO -0.16 -1.62 1.33 0.08 0.10 0.00 0.00 175.35 175.08 3knk s VAL 142 N 3.01 4.05 0.03 1.79 1.01 -0.80 0.18 120.40 129.67 3knk s VAL 142 Ca 0.15 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.46 3knk s VAL 142 Cb -0.22 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.30 3knk s VAL 142 CO 0.07 -0.06 0.01 -0.24 0.00 0.00 0.00 175.10 174.87 3knk n SER 143 N 6.04 1.61 0.00 3.32 2.88 0.86 -3.68 113.62 124.66 3knk n SER 143 Ca 0.13 -1.11 0.00 0.00 -1.33 0.00 0.00 58.87 56.56 3knk n SER 143 Cb 0.45 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 3knk n SER 143 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3knk n VAL 144 N -0.30 0.00 -2.04 2.46 0.24 -1.26 -2.00 118.33 115.43 3knk n VAL 144 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 3knk n VAL 144 Cb 0.03 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 3knk n VAL 144 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3knk n VAL 145 N 0.00-13.47 0.00 3.34 0.31 -1.26 -4.61 118.33 102.64 3knk n VAL 145 Ca 0.00 3.39 0.00 0.00 -0.01 0.00 0.00 64.34 67.72 3knk n VAL 145 Cb 0.00 -5.51 0.00 0.00 -0.91 0.00 0.00 33.84 27.42 3knk n VAL 145 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51