#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knk n LEU 6 N 0.00 0.00 -0.03 -2.67 -0.00 -1.26 -5.09 117.00 107.95 3knk n LEU 6 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.97 3knk n LEU 6 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 3knk n LEU 6 CO 0.00 -0.20 -0.68 -1.14 -0.00 0.00 0.00 177.39 175.37 3knk n ARG 7 N -0.40 0.13 -1.27 1.47 3.00 -1.26 -4.60 116.66 113.74 3knk n ARG 7 Ca 0.00 0.03 -0.37 0.00 -0.00 0.00 0.00 57.85 57.52 3knk n ARG 7 Cb 0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 32.46 31.36 3knk n ARG 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3knk n PRO 8 N -2.71 2.96 0.00 -0.14 -0.04 -1.26 -3.33 135.00 130.48 3knk n PRO 8 Ca -0.10 -2.10 0.00 0.00 -0.04 0.00 0.00 63.50 61.26 3knk n PRO 8 Cb 0.60 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 3knk n PRO 8 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3knk n ASN 9 N 4.67 0.00 -0.32 3.54 2.04 -1.26 -4.97 115.26 118.95 3knk n ASN 9 Ca 0.63 0.00 0.07 0.00 -0.44 0.00 0.00 54.58 54.84 3knk n ASN 9 Cb 0.26 0.00 0.16 0.00 -2.53 0.00 0.00 39.78 37.67 3knk n ASN 9 CO 0.00 0.00 0.00 -2.65 -0.44 0.00 0.00 177.26 174.17 3knk n PRO 10 N -0.39 -0.08 0.00 -0.53 -0.02 -1.21 -4.78 135.00 128.00 3knk n PRO 10 Ca 0.00 1.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.88 3knk n PRO 10 Cb 0.00 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3knk n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knk n GLY 11 N -1.55 0.00 3.70 -1.23 0.00 -1.26 -4.49 105.19 100.36 3knk n GLY 11 Ca 0.16 0.00 -0.66 0.00 0.00 0.00 0.00 46.02 45.52 3knk n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knk n ALA 12 N 0.89 -1.01 -1.03 4.61 0.00 -1.26 -4.88 120.51 117.83 3knk n ALA 12 Ca 0.00 0.45 -0.01 0.00 0.00 0.00 0.00 53.44 53.87 3knk n ALA 12 Cb 0.00 -1.99 0.02 0.00 0.00 0.00 0.00 19.45 17.48 3knk n ALA 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3knk n ASN 13 N 4.60 -0.69 0.00 0.00 2.04 -1.26 -4.82 115.26 115.12 3knk n ASN 13 Ca 0.33 -0.72 0.00 0.00 -0.44 0.00 0.00 54.58 53.75 3knk n ASN 13 Cb -0.03 -0.07 0.00 0.00 -2.53 0.00 0.00 39.78 37.15 3knk n ASN 13 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 3knk n LYS 14 N -1.54 0.00 -3.00 -3.83 5.02 -1.26 -3.91 118.16 109.64 3knk n LYS 14 Ca 0.01 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.86 3knk n LYS 14 Cb 0.04 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.04 3knk n LYS 14 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3knk s ARG 15 N 0.00 3.90 -0.11 1.97 0.52 -1.26 -4.70 118.95 119.27 3knk s ARG 15 Ca 0.00 -2.34 0.02 0.00 -0.52 0.00 0.00 55.73 52.89 3knk s ARG 15 Cb 0.00 -4.93 -0.24 0.00 0.52 0.00 0.00 34.95 30.30 3knk s ARG 15 CO 0.00 -1.69 0.40 2.89 0.02 0.00 0.00 175.30 176.91 3knk n ARG 16 N 5.60 0.70 -0.96 3.54 -4.01 -1.25 -4.93 116.66 115.35 3knk n ARG 16 Ca 0.30 0.25 -0.01 0.00 -1.04 0.00 0.00 57.85 57.34 3knk n ARG 16 Cb 0.45 -1.71 -0.00 0.00 -3.04 0.00 0.00 32.46 28.16 3knk n ARG 16 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 3knk n LYS 17 N -3.26 -1.13 -0.40 2.89 4.81 -1.26 -4.69 118.16 115.13 3knk n LYS 17 Ca -0.28 0.00 0.34 0.00 -0.87 0.00 0.00 58.31 57.51 3knk n LYS 17 Cb 1.05 -0.41 0.61 0.00 0.02 0.00 0.00 35.03 36.31 3knk n LYS 17 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3knk h ARG 18 N -0.02 0.09 -2.60 1.64 2.47 -2.01 -3.39 114.38 110.55 3knk h ARG 18 Ca -0.01 -0.01 -0.18 0.00 -1.26 0.00 0.00 59.98 58.52 3knk h ARG 18 Cb 0.10 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.34 3knk h ARG 18 CO 0.02 0.06 1.05 1.33 0.56 0.00 0.00 179.97 182.99 3knk n VAL 19 N -4.89 0.00 -0.48 2.04 0.24 -1.26 -4.85 118.33 109.12 3knk n VAL 19 Ca 0.37 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 3knk n VAL 19 Cb 1.35 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.72 3knk n VAL 19 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3knk n GLY 20 N 2.85 -2.08 3.61 7.63 0.00 -1.26 -4.99 105.19 110.95 3knk n GLY 20 Ca 0.35 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.50 3knk n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3knk s ARG 21 N -2.37 4.00 -0.50 1.61 3.52 -1.26 -5.05 118.95 118.90 3knk s ARG 21 Ca 0.00 -0.18 -0.05 0.00 -0.13 0.00 0.00 55.73 55.38 3knk s ARG 21 Cb 0.00 -3.63 0.13 0.00 -1.56 0.00 0.00 34.95 29.89 3knk s ARG 21 CO 0.00 -0.15 0.33 0.20 -0.81 0.00 0.00 175.30 174.86 3knk s GLY 22 N 1.55 2.18 0.21 8.12 0.00 -1.26 -5.09 107.32 113.02 3knk s GLY 22 Ca 0.10 -2.78 -0.21 0.00 0.00 0.00 0.00 44.72 41.83 3knk s GLY 22 CO 0.09 1.08 0.73 -4.14 0.00 0.00 0.00 173.10 170.86 3knk s PRO 23 N 0.80 4.32 0.00 2.90 0.02 -1.26 -4.74 135.00 137.04 3knk s PRO 23 Ca 0.11 0.93 0.00 0.00 0.02 0.00 0.00 61.00 62.05 3knk s PRO 23 Cb -0.22 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.33 3knk s PRO 23 CO -0.03 0.44 0.00 0.41 -0.33 0.00 0.00 177.00 177.48 3knk n GLY 24 N 0.94 0.74 0.00 0.52 0.00 0.26 -4.99 105.19 102.65 3knk n GLY 24 Ca -0.03 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3knk n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3knk n SER 25 N 0.00 0.00 0.04 1.61 3.41 -1.25 -4.99 113.62 112.43 3knk n SER 25 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3knk n SER 25 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3knk n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3knk n GLY 26 N -0.33 -0.06 3.01 5.00 0.00 -1.26 -3.89 105.19 107.66 3knk n GLY 26 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3knk n GLY 26 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3knk s HIS 27 N -2.04 -0.35 0.00 1.61 5.65 -1.26 -4.97 115.29 113.93 3knk s HIS 27 Ca 0.00 0.84 0.00 0.00 0.25 0.00 0.00 55.06 56.15 3knk s HIS 27 Cb 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 32.58 31.38 3knk s HIS 27 CO 0.00 -0.28 0.00 0.41 -0.65 0.00 0.00 174.74 174.22 3knk n GLY 28 N 4.79 1.30 2.87 1.59 0.00 -1.26 -4.81 105.19 109.67 3knk n GLY 28 Ca -0.16 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.85 3knk n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knk s LYS 29 N 0.00 2.27 0.00 1.61 3.01 -1.26 -4.91 119.74 120.45 3knk s LYS 29 Ca 0.00 -3.14 0.00 0.00 -1.01 0.00 0.00 55.97 51.82 3knk s LYS 29 Cb 0.00 -3.25 0.00 0.00 -1.01 0.00 0.00 37.83 33.57 3knk s LYS 29 CO 0.00 -1.26 0.00 2.41 0.51 0.00 0.00 175.35 177.01 3knk n THR 30 N 2.22 0.00 0.00 2.17 -1.04 -1.25 0.89 114.28 117.28 3knk n THR 30 Ca 0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 3knk n THR 30 Cb 0.35 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 3knk n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3knk n ALA 31 N -3.00 0.00 -0.27 2.41 0.00 -1.26 -2.32 120.51 116.07 3knk n ALA 31 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3knk n ALA 31 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3knk n ALA 31 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3knk n THR 32 N 0.00 -0.41 0.00 0.00 -2.24 -1.26 -4.84 114.28 105.53 3knk n THR 32 Ca 0.00 1.58 0.00 0.00 -2.27 0.00 0.00 64.05 63.36 3knk n THR 32 Cb 0.00 -2.00 0.00 0.00 -2.10 0.00 0.00 70.33 66.23 3knk n THR 32 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3knk n ARG 33 N -4.88 0.00 0.00 -0.78 3.00 -0.98 -4.65 116.66 108.37 3knk n ARG 33 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 3knk n ARG 33 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.67 3knk n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3knk n GLY 34 N 0.51 0.00 0.00 5.14 0.00 -1.26 -3.71 105.19 105.87 3knk n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3knk n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3knk n HIS 35 N 0.00 0.00 -2.25 1.61 8.25 -1.26 -5.09 115.22 116.48 3knk n HIS 35 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3knk n HIS 35 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3knk n HIS 35 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3knk n LYS 36 N 0.00 0.00 -0.04 -0.41 4.01 -1.24 -4.85 118.16 115.63 3knk n LYS 36 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3knk n LYS 36 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 3knk n LYS 36 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3knk n GLY 37 N 0.00 1.31 0.00 0.72 0.00 -1.26 -4.91 105.19 101.05 3knk n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3knk n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knk n GLN 38 N -2.00 0.00 -2.91 1.61 10.64 -1.26 -5.10 117.38 118.36 3knk n GLN 38 Ca 0.00 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 55.09 3knk n GLN 38 Cb 0.00 0.00 -0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3knk n GLN 38 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3knk n LYS 39 N 0.00 0.56 -3.23 2.61 4.76 -1.26 -4.92 118.16 116.67 3knk n LYS 39 Ca 0.00 -1.59 -0.21 0.00 -2.87 0.00 0.00 58.31 53.64 3knk n LYS 39 Cb 0.00 1.70 -0.04 0.00 -1.84 0.00 0.00 35.03 34.85 3knk n LYS 39 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3knk n SER 40 N -1.60 -1.21 -3.36 4.39 2.88 -1.26 -4.75 113.62 108.70 3knk n SER 40 Ca -0.02 -0.45 -0.17 0.00 -1.33 0.00 0.00 58.87 56.90 3knk n SER 40 Cb 0.37 -1.10 -0.08 0.00 -0.75 0.00 0.00 64.21 62.65 3knk n SER 40 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3knk s ARG 41 N -5.25 0.63 0.23 -1.46 1.81 -1.26 -4.67 118.95 108.97 3knk s ARG 41 Ca 0.41 -0.85 0.00 0.00 -1.72 0.00 0.00 55.73 53.57 3knk s ARG 41 Cb -0.24 -0.74 0.00 0.00 -0.45 0.00 0.00 34.95 33.52 3knk s ARG 41 CO 0.50 -1.19 0.00 -1.13 -0.68 0.00 0.00 175.30 172.80 3knk n SER 42 N 4.28 -2.05 -1.53 0.23 3.41 -1.26 -4.91 113.62 111.78 3knk n SER 42 Ca 0.11 0.70 -0.06 0.00 -0.26 0.00 0.00 58.87 59.36 3knk n SER 42 Cb 0.45 2.16 0.09 0.00 -0.26 0.00 0.00 64.21 66.65 3knk n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3knk n GLY 43 N -1.24 4.60 0.00 5.00 0.00 -1.26 -5.10 105.19 107.19 3knk n GLY 43 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 3knk n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knk n GLY 44 N -0.68 1.56 0.92 -0.02 0.00 -1.26 -5.12 105.19 100.59 3knk n GLY 44 Ca 0.25 -2.00 -0.07 0.00 0.00 0.00 0.00 46.02 44.20 3knk n GLY 44 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3knk n LEU 45 N 0.00 0.00 0.04 0.99 0.00 -1.26 -4.62 117.00 112.15 3knk n LEU 45 Ca 0.00 -0.87 -0.17 0.00 0.00 0.00 0.00 56.01 54.97 3knk n LEU 45 Cb 0.00 0.33 -0.07 0.00 0.00 0.00 0.00 43.42 43.67 3knk n LEU 45 CO 0.00 -0.14 0.16 0.50 0.00 0.00 0.00 177.39 177.91 3knk h LYS 46 N 0.00 0.64 0.00 1.96 1.63 -2.00 -3.50 116.57 115.30 3knk h LYS 46 Ca -0.08 -0.64 0.00 0.00 -0.85 0.00 0.00 60.65 59.08 3knk h LYS 46 Cb 0.34 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 3knk h LYS 46 CO 0.13 1.24 0.00 -3.47 -3.45 0.00 0.00 179.45 173.90 3knk n ASP 47 N -3.84 0.00 -0.01 4.20 -0.08 -1.26 -5.00 116.55 110.55 3knk n ASP 47 Ca -0.09 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.19 3knk n ASP 47 Cb 0.83 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 44.29 3knk n ASP 47 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3knk h PRO 48 N 0.00 0.00 0.00 -0.67 0.13 -1.96 -3.51 132.00 125.99 3knk h PRO 48 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3knk h PRO 48 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3knk h PRO 48 CO 0.00 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.31 3knk n ARG 49 N -2.59 0.00 -0.29 0.86 1.74 -1.26 0.19 116.66 115.30 3knk n ARG 49 Ca -0.01 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3knk n ARG 49 Cb 0.04 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 31.58 3knk n ARG 49 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3knk n ARG 50 N 0.00 1.98 -3.76 5.56 1.85 -1.26 -4.99 116.66 116.04 3knk n ARG 50 Ca 0.00 -0.93 -0.16 0.00 -1.00 0.00 0.00 57.85 55.76 3knk n ARG 50 Cb 0.00 -1.64 -0.06 0.00 -1.05 0.00 0.00 32.46 29.71 3knk n ARG 50 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3knk n PHE 51 N 0.14 -0.45 -0.75 2.89 3.72 0.13 -4.88 117.46 118.26 3knk n PHE 51 Ca 0.11 -2.14 0.09 0.00 -0.05 0.00 0.00 57.45 55.46 3knk n PHE 51 Cb 0.61 0.17 -0.05 0.00 -0.94 0.00 0.00 39.48 39.27 3knk n PHE 51 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3knk n GLU 52 N -0.54 -1.71 0.00 -1.08 -0.58 -1.26 -4.88 120.64 110.59 3knk n GLU 52 Ca 0.04 1.37 0.00 0.00 -0.42 0.00 0.00 57.16 58.15 3knk n GLU 52 Cb 0.47 -2.00 0.00 0.00 -0.57 0.00 0.00 31.44 29.34 3knk n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3knk n GLY 53 N -3.27 2.45 1.07 0.62 0.00 -1.26 -4.11 105.19 100.69 3knk n GLY 53 Ca -0.04 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3knk n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knk n GLY 54 N 0.00 0.68 0.00 -0.02 0.00 -1.26 -5.02 105.19 99.57 3knk n GLY 54 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3knk n GLY 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3knk n ARG 55 N -2.54 0.00 -0.50 1.61 0.63 -1.26 -4.96 116.66 109.64 3knk n ARG 55 Ca 0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 3knk n ARG 55 Cb 0.00 -0.33 -0.02 0.00 0.45 0.00 0.00 32.46 32.56 3knk n ARG 55 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3knk n SER 56 N -0.10 -0.25 0.00 6.15 7.64 -1.26 -5.15 113.62 120.65 3knk n SER 56 Ca 0.00 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 59.08 3knk n SER 56 Cb 0.00 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 3knk n SER 56 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3knk n THR 57 N 0.00 0.00 0.17 0.44 -2.24 -1.26 -4.01 114.28 107.38 3knk n THR 57 Ca -0.07 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.73 3knk n THR 57 Cb 0.38 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.62 3knk n THR 57 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3knk n THR 58 N 0.00 0.00 0.29 4.28 -1.04 -1.26 -4.49 114.28 112.06 3knk n THR 58 Ca 0.00 -0.50 0.11 0.00 -2.04 0.00 0.00 64.05 61.62 3knk n THR 58 Cb 0.00 1.08 0.51 0.00 -1.82 0.00 0.00 70.33 70.11 3knk n THR 58 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3knk h LEU 59 N 0.77 0.00 -1.15 -4.42 5.85 -1.95 -0.82 115.31 113.59 3knk h LEU 59 Ca 0.00 0.00 0.41 0.00 0.84 0.00 0.00 57.88 59.13 3knk h LEU 59 Cb 0.17 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.04 3knk h LEU 59 CO 0.00 0.00 0.67 0.24 -0.34 0.00 0.00 178.44 179.01 3knk h MET 60 N 0.00 0.10 -6.42 1.25 2.86 -1.79 -3.41 114.93 107.52 3knk h MET 60 Ca 0.04 -0.01 -0.61 0.00 -2.06 0.00 0.00 59.70 57.06 3knk h MET 60 Cb 1.26 -0.02 0.11 0.00 0.06 0.00 0.00 31.60 33.01 3knk h MET 60 CO -0.00 0.07 0.03 0.54 1.06 0.00 0.00 176.91 178.61 3knk n ARG 61 N -5.00 1.16 -3.05 1.72 3.00 -0.32 -4.89 116.66 109.29 3knk n ARG 61 Ca 0.36 0.41 -0.40 0.00 -0.01 0.00 0.00 57.85 58.22 3knk n ARG 61 Cb 1.28 -1.74 -0.05 0.00 0.00 0.00 0.00 32.46 31.95 3knk n ARG 61 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3knk s LEU 62 N 0.76 4.44 -1.24 0.55 0.20 -1.26 -5.00 118.68 117.12 3knk s LEU 62 Ca 0.59 1.36 -0.09 0.00 0.69 0.00 0.00 54.13 56.68 3knk s LEU 62 Cb -0.72 -3.14 0.19 0.00 -0.43 0.00 0.00 46.19 42.09 3knk s LEU 62 CO 0.59 0.04 1.76 -0.81 -0.29 0.00 0.00 176.35 177.64 3knk n PRO 63 N 2.80 3.72 -0.09 0.98 -0.04 -1.26 -4.78 135.00 136.34 3knk n PRO 63 Ca -0.04 -3.73 -0.03 0.00 -0.04 0.00 0.00 63.50 59.67 3knk n PRO 63 Cb 0.50 -2.87 0.20 0.00 -0.04 0.00 0.00 33.50 31.29 3knk n PRO 63 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3knk h LYS 64 N 5.85 0.74 -3.16 0.54 3.11 -2.03 -3.28 116.57 118.34 3knk h LYS 64 Ca 0.36 -0.18 0.00 0.00 -2.81 0.00 0.00 60.65 58.02 3knk h LYS 64 Cb 0.65 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.79 3knk h LYS 64 CO 1.54 0.73 0.45 0.54 -2.81 0.00 0.00 179.45 179.90 3knk n ARG 65 N -4.24 0.00 0.00 1.90 1.74 -1.26 -4.66 116.66 110.14 3knk n ARG 65 Ca 0.03 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3knk n ARG 65 Cb 0.27 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 3knk n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knk n GLY 66 N 2.82 -1.31 1.82 -0.13 0.00 -1.24 -4.71 105.19 102.45 3knk n GLY 66 Ca 0.00 -1.55 -0.05 0.00 0.00 0.00 0.00 46.02 44.42 3knk n GLY 66 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3knk n MET 67 N -0.16 -1.77 -3.78 1.61 0.00 -1.26 -5.01 117.12 106.75 3knk n MET 67 Ca 0.00 0.27 -0.33 0.00 0.00 0.00 0.00 57.70 57.64 3knk n MET 67 Cb 0.00 -3.40 -0.10 0.00 0.00 0.00 0.00 33.22 29.72 3knk n MET 67 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 3knk s GLN 68 N -4.20 2.70 0.41 2.12 1.11 -1.26 -5.04 119.66 115.49 3knk s GLN 68 Ca 0.03 -3.06 0.00 0.00 0.01 0.00 0.00 55.36 52.34 3knk s GLN 68 Cb -0.00 -3.66 0.00 0.00 -1.01 0.00 0.00 33.01 28.34 3knk s GLN 68 CO 0.23 -1.23 0.00 0.41 0.01 0.00 0.00 175.29 174.71 3knk n GLY 69 N 2.55 -3.29 0.00 3.09 0.00 -1.26 -5.05 105.19 101.23 3knk n GLY 69 Ca 0.16 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3knk n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3knk n GLN 70 N -1.18 3.59 0.06 1.61 -0.06 -1.26 -4.99 117.38 115.16 3knk n GLN 70 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 54.96 3knk n GLN 70 Cb 0.06 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.22 3knk n GLN 70 CO 0.00 0.00 0.00 -0.24 -0.20 0.00 0.00 177.06 176.62 3knk h VAL 71 N 0.00 0.00 -1.03 1.69 3.04 -2.03 -3.30 116.25 114.62 3knk h VAL 71 Ca 0.00 -0.59 0.29 0.00 -1.01 0.00 0.00 66.70 65.39 3knk h VAL 71 Cb 0.00 0.00 -0.05 0.00 -2.01 0.00 0.00 31.29 29.23 3knk h VAL 71 CO 0.00 0.00 0.73 -0.65 -1.01 0.00 0.00 177.57 176.64 3knk h PRO 72 N -0.82 0.07 0.00 4.17 0.11 -2.05 -3.47 132.00 130.02 3knk h PRO 72 Ca -0.02 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3knk h PRO 72 Cb 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.27 3knk h PRO 72 CO 0.04 0.05 0.00 0.41 -0.21 0.00 0.00 178.00 178.29 3knk n GLY 73 N -1.69 -1.56 3.09 -0.55 0.00 -1.24 -5.03 105.19 98.19 3knk n GLY 73 Ca 0.22 -2.07 -0.36 0.00 0.00 0.00 0.00 46.02 43.81 3knk n GLY 73 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3knk n GLU 74 N 0.00 -0.19 -4.23 1.61 0.28 -1.26 -4.73 120.64 112.12 3knk n GLU 74 Ca 0.00 -0.05 -0.28 0.00 -0.16 0.00 0.00 57.16 56.67 3knk n GLU 74 Cb 0.00 -1.19 -0.09 0.00 1.43 0.00 0.00 31.44 31.59 3knk n GLU 74 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3knk s ILE 75 N -2.08 3.49 -0.82 3.84 1.09 -1.26 -5.07 121.20 120.39 3knk s ILE 75 Ca 0.43 -1.39 -0.25 0.00 -1.10 0.00 0.00 60.65 58.33 3knk s ILE 75 Cb -0.10 -2.70 0.02 0.00 -1.06 0.00 0.00 42.46 38.62 3knk s ILE 75 CO 0.74 -0.01 1.49 -0.75 -0.10 0.00 0.00 174.94 176.31 3knk s LYS 76 N -2.60 3.16 -0.04 2.79 2.47 -1.26 -4.96 119.74 119.29 3knk s LYS 76 Ca 0.25 -0.38 0.03 0.00 -1.56 0.00 0.00 55.97 54.31 3knk s LYS 76 Cb -0.10 -4.65 0.00 0.00 -1.46 0.00 0.00 37.83 31.62 3knk s LYS 76 CO 0.16 -2.38 -0.13 -0.98 0.16 0.00 0.00 175.35 172.18 3knk s ARG 77 N 5.84 1.45 -0.89 4.03 1.70 -1.26 -5.06 118.95 124.76 3knk s ARG 77 Ca 0.47 -0.47 -0.25 0.00 -0.47 0.00 0.00 55.73 55.01 3knk s ARG 77 Cb -0.06 -1.28 -0.12 0.00 -0.57 0.00 0.00 34.95 32.92 3knk s ARG 77 CO 0.07 0.17 2.21 -1.25 -1.08 0.00 0.00 175.30 175.42 3knk s PRO 78 N 0.18 1.85 0.85 3.89 0.04 -1.26 -4.92 135.00 135.62 3knk s PRO 78 Ca -0.05 0.04 -0.12 0.00 0.04 0.00 0.00 61.00 60.91 3knk s PRO 78 Cb -0.11 -4.92 0.11 0.00 0.04 0.00 0.00 34.50 29.62 3knk s PRO 78 CO 0.02 -4.30 1.18 -0.98 0.04 0.00 0.00 177.00 172.96 3knk s ARG 79 N 8.17 1.40 0.14 4.56 1.70 -1.26 -4.83 118.95 128.83 3knk s ARG 79 Ca 0.83 1.65 0.10 0.00 -0.47 0.00 0.00 55.73 57.84 3knk s ARG 79 Cb -0.09 -1.76 -0.04 0.00 -0.57 0.00 0.00 34.95 32.49 3knk s ARG 79 CO 0.07 -2.37 -0.24 0.71 -1.08 0.00 0.00 175.30 172.39 3knk s TYR 80 N -2.39 2.15 -0.09 5.89 2.02 -1.25 -3.08 117.35 120.60 3knk s TYR 80 Ca 0.70 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.99 3knk s TYR 80 Cb -0.26 -1.14 0.03 0.00 -0.40 0.00 0.00 41.96 40.19 3knk s TYR 80 CO 0.54 0.33 0.01 -1.14 -1.57 0.00 0.00 175.55 173.72 3knk s GLN 81 N -2.16 0.57 0.41 -0.62 0.74 -0.07 -4.98 119.66 113.54 3knk s GLN 81 Ca 0.13 0.05 0.05 0.00 0.05 0.00 0.00 55.36 55.64 3knk s GLN 81 Cb -0.09 -1.12 0.00 0.00 1.10 0.00 0.00 33.01 32.90 3knk s GLN 81 CO 0.06 -0.36 0.58 0.20 -0.55 0.00 0.00 175.29 175.22 3knk s GLY 82 N 1.97 1.71 -0.15 2.59 0.00 -1.25 -1.28 107.32 110.91 3knk s GLY 82 Ca 0.04 -1.41 -0.21 0.00 0.00 0.00 0.00 44.72 43.14 3knk s GLY 82 CO -0.06 -1.26 0.54 0.54 0.00 0.00 0.00 173.10 172.86 3knk s VAL 83 N -2.37 0.01 0.42 1.40 0.11 -0.54 -4.91 120.40 114.51 3knk s VAL 83 Ca 0.50 -0.07 -0.24 0.00 -2.93 0.00 0.00 61.98 59.24 3knk s VAL 83 Cb -0.10 -0.79 -0.08 0.00 -1.53 0.00 0.00 36.38 33.88 3knk s VAL 83 CO 0.34 -0.04 1.13 0.20 -3.33 0.00 0.00 175.10 173.40 3knk s ASN 84 N -0.19 6.47 0.00 3.54 0.02 -1.22 -0.51 114.94 123.05 3knk s ASN 84 Ca -0.04 2.22 0.00 0.00 -1.02 0.00 0.00 52.86 54.03 3knk s ASN 84 Cb -0.03 -2.60 0.00 0.00 0.02 0.00 0.00 41.25 38.64 3knk s ASN 84 CO 0.03 -0.70 0.63 0.00 0.02 0.00 0.00 177.10 177.08 3knk n LEU 85 N -0.18 0.18 0.06 0.60 -0.00 0.46 -1.49 117.00 116.62 3knk n LEU 85 Ca 0.06 -0.09 0.11 0.00 -0.00 0.00 0.00 56.01 56.09 3knk n LEU 85 Cb 0.48 -0.09 -0.04 0.00 -0.00 0.00 0.00 43.42 43.77 3knk n LEU 85 CO 0.48 0.04 -0.19 1.17 -0.00 0.00 0.00 177.39 178.89 3knk n LYS 86 N -0.34 0.55 -0.09 1.47 4.81 0.54 -4.16 118.16 120.93 3knk n LYS 86 Ca 0.00 0.01 -0.16 0.00 -0.87 0.00 0.00 58.31 57.29 3knk n LYS 86 Cb 0.04 -1.70 -0.13 0.00 0.02 0.00 0.00 35.03 33.26 3knk n LYS 86 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3knk n ASP 87 N -2.42 1.40 0.00 3.14 8.00 -0.55 -3.72 116.55 122.40 3knk n ASP 87 Ca -0.01 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.49 3knk n ASP 87 Cb 0.53 -0.08 0.01 0.00 -0.02 0.00 0.00 41.12 41.56 3knk n ASP 87 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3knk n LEU 88 N -3.14 0.00 -2.23 0.64 4.32 -1.22 -3.04 117.00 112.33 3knk n LEU 88 Ca -0.38 0.39 -0.04 0.00 -0.02 0.00 0.00 56.01 55.96 3knk n LEU 88 Cb 1.05 -0.39 -0.06 0.00 -1.62 0.00 0.00 43.42 42.40 3knk n LEU 88 CO 0.34 -0.39 0.87 0.00 -1.22 0.00 0.00 177.39 177.00 3knk n ALA 89 N -1.39 3.07 0.07 -1.18 0.00 -1.24 -3.28 120.51 116.55 3knk n ALA 89 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.81 3knk n ALA 89 Cb 0.01 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.28 3knk n ALA 89 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3knk n ARG 90 N 2.65 0.00 -3.42 0.00 0.63 -1.17 -5.09 116.66 110.26 3knk n ARG 90 Ca 0.15 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.87 3knk n ARG 90 Cb 0.35 -0.34 -0.01 0.00 0.45 0.00 0.00 32.46 32.90 3knk n ARG 90 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 3knk s PHE 91 N -2.00 2.49 0.02 -0.14 -0.71 -1.21 -5.14 117.98 111.29 3knk s PHE 91 Ca 0.00 -0.53 0.05 0.00 -1.04 0.00 0.00 56.93 55.41 3knk s PHE 91 Cb 0.00 -2.20 -0.02 0.00 -1.21 0.00 0.00 43.02 39.60 3knk s PHE 91 CO 0.00 -0.33 -0.15 -2.00 -1.34 0.00 0.00 175.22 171.40 3knk s GLU 92 N -4.25 1.08 0.00 1.99 2.12 -1.26 -4.95 118.70 113.43 3knk s GLU 92 Ca 0.50 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 55.16 3knk s GLU 92 Cb -0.05 -1.08 0.00 0.00 0.26 0.00 0.00 34.13 33.27 3knk s GLU 92 CO 0.29 0.28 0.00 0.41 -0.54 0.00 0.00 175.26 175.70 3knk n GLY 93 N 2.26 1.77 3.39 -1.50 0.00 -1.26 -5.01 105.19 104.84 3knk n GLY 93 Ca -0.16 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 3knk n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3knk s GLU 94 N 0.00 0.62 0.16 1.61 2.12 -1.26 -3.25 118.70 118.69 3knk s GLU 94 Ca 0.00 0.57 0.09 0.00 0.36 0.00 0.00 54.97 56.00 3knk s GLU 94 Cb 0.00 0.30 -0.04 0.00 0.26 0.00 0.00 34.13 34.65 3knk s GLU 94 CO 0.00 -0.10 -0.15 0.14 -0.54 0.00 0.00 175.26 174.61 3knk s VAL 95 N 0.01 2.93 0.09 3.70 -7.23 -1.18 -5.01 120.40 113.71 3knk s VAL 95 Ca -0.02 -1.67 -0.12 0.00 -1.81 0.00 0.00 61.98 58.36 3knk s VAL 95 Cb -0.03 -2.41 0.01 0.00 0.56 0.00 0.00 36.38 34.51 3knk s VAL 95 CO 0.02 -0.04 0.28 0.42 -0.31 0.00 0.00 175.10 175.47 3knk s THR 96 N -1.51 0.11 0.94 5.32 -4.23 -1.26 -1.67 115.64 113.34 3knk s THR 96 Ca 0.22 -0.88 -0.11 0.00 -1.18 0.00 0.00 61.69 59.74 3knk s THR 96 Cb -0.09 -1.21 0.16 0.00 1.34 0.00 0.00 72.50 72.70 3knk s THR 96 CO 0.13 -0.49 1.12 -2.84 -0.54 0.00 0.00 174.62 172.00 3knk s PRO 97 N -3.64 0.80 0.00 3.99 0.02 -1.26 -0.09 135.00 134.82 3knk s PRO 97 Ca 0.03 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.41 3knk s PRO 97 Cb 0.03 -1.72 0.00 0.00 0.02 0.00 0.00 34.50 32.83 3knk s PRO 97 CO -0.10 -2.72 0.00 -1.91 -0.33 0.00 0.00 177.00 171.94 3knk n GLU 98 N -4.28 0.00 -0.08 5.54 4.07 -1.26 -4.50 120.64 120.13 3knk n GLU 98 Ca 0.10 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.10 3knk n GLU 98 Cb 0.53 -2.30 -0.09 0.00 -0.06 0.00 0.00 31.44 29.51 3knk n GLU 98 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 3knk n LEU 99 N 0.00 1.69 0.15 4.31 0.00 0.87 -4.23 117.00 119.79 3knk n LEU 99 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 56.01 55.99 3knk n LEU 99 Cb 0.00 -0.20 0.13 0.00 0.00 0.00 0.00 43.42 43.35 3knk n LEU 99 CO 0.00 0.59 0.53 -0.07 0.00 0.00 0.00 177.39 178.44 3knk h LEU 100 N 0.00 0.00 -0.15 -1.96 -0.00 -1.07 -3.31 115.31 108.83 3knk h LEU 100 Ca -0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.50 3knk h LEU 100 Cb 1.70 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.36 3knk h LEU 100 CO -0.03 0.48 0.07 -0.37 -0.00 0.00 0.00 178.44 178.60 3knk h VAL 101 N 0.00 1.12 0.00 1.22 -1.51 -1.76 -2.49 116.25 112.83 3knk h VAL 101 Ca -0.00 -0.33 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 3knk h VAL 101 Cb 1.24 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.46 3knk h VAL 101 CO 0.06 0.11 0.00 -1.14 -1.23 0.00 0.00 177.57 175.37 3knk n ARG 102 N -4.92 0.96 -0.80 5.19 0.63 -1.25 -4.18 116.66 112.30 3knk n ARG 102 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 3knk n ARG 102 Cb 0.09 -1.02 0.00 0.00 0.45 0.00 0.00 32.46 31.98 3knk n ARG 102 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knk n ALA 103 N 1.07 0.00 1.26 5.13 0.00 -0.94 -5.03 120.51 122.00 3knk n ALA 103 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3knk n ALA 103 Cb 0.48 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.00 3knk n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knk n GLY 104 N 0.00 -0.63 3.64 0.00 0.00 -1.26 -4.80 105.19 102.14 3knk n GLY 104 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 3knk n GLY 104 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3knk s LEU 105 N -1.12 -0.58 0.00 0.99 2.34 -1.22 -5.05 118.68 114.04 3knk s LEU 105 Ca 0.04 1.00 0.00 0.00 0.06 0.00 0.00 54.13 55.23 3knk s LEU 105 Cb 0.02 1.96 0.00 0.00 -0.56 0.00 0.00 46.19 47.61 3knk s LEU 105 CO 0.03 -0.16 0.00 -0.11 -1.06 0.00 0.00 176.35 175.04 3knk n LEU 106 N 3.19 0.00 -1.88 1.48 7.94 -1.26 -3.51 117.00 122.96 3knk n LEU 106 Ca -0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 3knk n LEU 106 Cb 0.57 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.52 3knk n LEU 106 CO 0.02 0.00 -0.06 2.29 -1.11 0.00 0.00 177.39 178.52 3knk n LYS 107 N 0.00 -0.68 -0.42 1.96 2.85 -1.26 -3.23 118.16 117.38 3knk n LYS 107 Ca 0.00 0.49 0.00 0.00 -1.05 0.00 0.00 58.31 57.75 3knk n LYS 107 Cb 0.00 -1.02 0.00 0.00 -0.65 0.00 0.00 35.03 33.36 3knk n LYS 107 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3knk n LYS 108 N 1.83 -1.15 -0.30 -1.58 4.01 -1.26 -4.65 118.16 115.07 3knk n LYS 108 Ca 0.00 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 57.82 3knk n LYS 108 Cb 0.00 -2.59 0.13 0.00 -0.51 0.00 0.00 35.03 32.06 3knk n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3knk n GLY 109 N 0.00 2.01 7.00 0.72 0.00 -1.20 -5.01 105.19 108.71 3knk n GLY 109 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3knk n GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3knk n TYR 110 N 0.20 -0.37 0.00 1.61 9.36 -1.26 -4.11 117.16 122.59 3knk n TYR 110 Ca 0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.31 3knk n TYR 110 Cb 0.57 0.02 0.00 0.00 -0.63 0.00 0.00 39.34 39.30 3knk n TYR 110 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3knk n ARG 111 N -0.04 0.00 -4.25 2.98 1.74 -1.18 -4.42 116.66 111.50 3knk n ARG 111 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 3knk n ARG 111 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 3knk n ARG 111 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3knk s LEU 112 N 0.00 3.74 -0.23 0.55 1.98 -1.26 -0.89 118.68 122.57 3knk s LEU 112 Ca 0.00 0.17 0.01 0.00 -2.89 0.00 0.00 54.13 51.42 3knk s LEU 112 Cb 0.00 -1.95 0.05 0.00 0.66 0.00 0.00 46.19 44.95 3knk s LEU 112 CO 0.00 0.35 -0.07 -0.75 -1.89 0.00 0.00 176.35 173.99 3knk s LYS 113 N -1.13 1.81 -0.12 1.98 2.20 -0.41 -1.60 119.74 122.48 3knk s LYS 113 Ca 0.16 -0.98 -0.19 0.00 -0.36 0.00 0.00 55.97 54.60 3knk s LYS 113 Cb -0.12 -2.56 -0.04 0.00 -1.51 0.00 0.00 37.83 33.60 3knk s LYS 113 CO 0.05 -0.54 0.52 -1.50 -0.36 0.00 0.00 175.35 173.52 3knk s ILE 114 N 1.36 5.15 0.00 5.43 1.10 0.41 -1.47 121.20 133.19 3knk s ILE 114 Ca -0.05 1.04 0.00 0.00 -0.51 0.00 0.00 60.65 61.13 3knk s ILE 114 Cb -0.18 -3.86 0.00 0.00 0.15 0.00 0.00 42.46 38.57 3knk s ILE 114 CO -0.07 0.29 0.00 0.00 -2.11 0.00 0.00 174.94 173.06 3knk n LEU 115 N 3.83 0.00 0.00 8.50 -0.00 0.33 -3.48 117.00 126.17 3knk n LEU 115 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.95 3knk n LEU 115 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 3knk n LEU 115 CO 0.44 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.44 3knk n GLY 116 N 0.00 0.42 3.68 1.47 0.00 -1.26 0.17 105.19 109.67 3knk n GLY 116 Ca 0.00 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 3knk n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3knk s GLU 117 N 0.00 2.07 0.00 1.61 2.02 -1.26 -4.69 118.70 118.44 3knk s GLU 117 Ca 0.00 -2.26 0.00 0.00 0.02 0.00 0.00 54.97 52.73 3knk s GLU 117 Cb 0.00 -1.50 0.00 0.00 0.10 0.00 0.00 34.13 32.73 3knk s GLU 117 CO 0.00 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.45 3knk n GLY 118 N -1.11 0.45 3.70 -1.39 0.00 -1.26 0.20 105.19 105.79 3knk n GLY 118 Ca -0.12 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 3knk n GLY 118 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3knk s GLU 119 N -4.94 4.33 0.23 1.61 0.41 -1.26 -4.40 118.70 114.67 3knk s GLU 119 Ca 0.00 1.95 -0.30 0.00 -0.41 0.00 0.00 54.97 56.21 3knk s GLU 119 Cb 0.00 -3.41 -0.09 0.00 -1.78 0.00 0.00 34.13 28.85 3knk s GLU 119 CO 0.00 -0.45 1.34 0.00 -0.49 0.00 0.00 175.26 175.66 3knk s ALA 120 N 1.64 3.55 -0.42 5.21 0.00 -1.26 -4.92 121.76 125.55 3knk s ALA 120 Ca 0.63 1.18 -0.17 0.00 0.00 0.00 0.00 51.96 53.60 3knk s ALA 120 Cb -0.33 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.31 3knk s ALA 120 CO 0.28 -0.60 0.45 0.21 0.00 0.00 0.00 175.76 176.10 3knk s LYS 121 N -0.40 3.13 -0.00 0.00 2.20 -1.26 -4.94 119.74 118.46 3knk s LYS 121 Ca 0.56 -0.72 -0.00 0.00 -0.36 0.00 0.00 55.97 55.46 3knk s LYS 121 Cb -0.38 -3.96 -0.00 0.00 -1.51 0.00 0.00 37.83 31.98 3knk s LYS 121 CO 0.41 -0.85 0.01 -2.30 -0.36 0.00 0.00 175.35 172.26 3knk n PRO 122 N 5.64 0.00 -3.64 4.03 -0.02 -1.23 -4.90 135.00 134.88 3knk n PRO 122 Ca -0.07 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.32 3knk n PRO 122 Cb 0.47 -0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.88 3knk n PRO 122 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3knk s LEU 123 N 0.00 -0.45 -0.10 2.45 0.05 -1.02 -4.74 118.68 114.88 3knk s LEU 123 Ca 0.00 0.86 -0.29 0.00 0.05 0.00 0.00 54.13 54.75 3knk s LEU 123 Cb -0.00 1.87 -0.04 0.00 -2.05 0.00 0.00 46.19 45.97 3knk s LEU 123 CO 0.00 -0.15 1.57 -0.75 -0.55 0.00 0.00 176.35 176.48 3knk s LYS 124 N 0.23 4.13 -0.11 1.48 2.20 -1.20 -2.69 119.74 123.78 3knk s LYS 124 Ca 0.03 2.00 0.02 0.00 -0.36 0.00 0.00 55.97 57.67 3knk s LYS 124 Cb -0.05 -3.95 0.01 0.00 -1.51 0.00 0.00 37.83 32.33 3knk s LYS 124 CO -0.06 -0.89 -0.18 0.14 -0.36 0.00 0.00 175.35 173.99 3knk s VAL 125 N 4.12 1.70 0.46 4.02 -7.23 -1.26 -3.09 120.40 119.11 3knk s VAL 125 Ca 0.69 -0.78 -0.15 0.00 -1.81 0.00 0.00 61.98 59.93 3knk s VAL 125 Cb -0.30 -1.51 -0.08 0.00 0.56 0.00 0.00 36.38 35.05 3knk s VAL 125 CO 0.26 0.48 0.90 -0.69 -0.31 0.00 0.00 175.10 175.74 3knk s VAL 126 N 0.75 4.60 -0.11 1.32 1.01 -0.67 -3.95 120.40 123.36 3knk s VAL 126 Ca -0.11 1.06 -0.33 0.00 0.00 0.00 0.00 61.98 62.60 3knk s VAL 126 Cb -0.16 -3.70 0.12 0.00 0.00 0.00 0.00 36.38 32.65 3knk s VAL 126 CO 0.02 -0.55 1.15 0.00 0.00 0.00 0.00 175.10 175.71 3knk s ALA 127 N -2.44 -2.03 -0.41 5.51 0.00 -0.12 -4.37 121.76 117.89 3knk s ALA 127 Ca 0.57 1.24 0.23 0.00 0.00 0.00 0.00 51.96 54.00 3knk s ALA 127 Cb -0.10 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.14 3knk s ALA 127 CO 0.28 -0.72 0.99 0.72 0.00 0.00 0.00 175.76 177.02 3knk n HIS 128 N -0.21 0.49 -3.62 0.00 8.25 -0.63 -3.77 115.22 115.73 3knk n HIS 128 Ca -0.03 0.14 -0.05 0.00 -0.26 0.00 0.00 57.72 57.52 3knk n HIS 128 Cb 0.60 -0.64 -0.04 0.00 1.12 0.00 0.00 29.99 31.03 3knk n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3knk s ALA 129 N -3.29 -2.06 0.23 -1.41 0.00 -0.93 -4.61 121.76 109.69 3knk s ALA 129 Ca 0.01 1.77 0.04 0.00 0.00 0.00 0.00 51.96 53.78 3knk s ALA 129 Cb 0.13 -1.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.09 3knk s ALA 129 CO 0.80 -0.30 -0.03 -0.06 0.00 0.00 0.00 175.76 176.17 3knk s PHE 130 N -1.22 1.60 -0.02 0.00 2.99 -1.26 -0.44 117.98 119.63 3knk s PHE 130 Ca 0.06 -0.85 -0.19 0.00 0.00 0.00 0.00 56.93 55.94 3knk s PHE 130 Cb -0.01 -0.91 -0.05 0.00 0.00 0.00 0.00 43.02 42.05 3knk s PHE 130 CO -0.05 0.04 0.53 -1.54 -0.00 0.00 0.00 175.22 174.21 3knk s SER 131 N -3.31 6.89 0.40 1.36 1.04 -1.23 -4.90 113.70 113.95 3knk s SER 131 Ca 0.27 1.06 0.33 0.00 0.48 0.00 0.00 55.95 58.09 3knk s SER 131 Cb 0.05 -2.33 1.14 0.00 0.10 0.00 0.00 66.02 64.98 3knk s SER 131 CO 0.08 0.14 1.07 1.17 0.98 0.00 0.00 173.24 176.68 3knk n LYS 132 N 2.65 0.00 -0.05 4.02 4.81 -1.26 -0.79 118.16 127.53 3knk n LYS 132 Ca -0.09 0.76 -0.01 0.00 -0.87 0.00 0.00 58.31 58.10 3knk n LYS 132 Cb 0.51 -1.76 -0.01 0.00 0.02 0.00 0.00 35.03 33.79 3knk n LYS 132 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3knk h SER 133 N 0.00 0.00 -0.99 3.14 0.87 -1.98 -3.29 113.55 111.30 3knk h SER 133 Ca 0.62 -0.03 0.21 0.00 -1.23 0.00 0.00 61.79 61.36 3knk h SER 133 Cb 2.58 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 64.44 3knk h SER 133 CO -0.01 0.55 0.62 0.00 -0.53 0.00 0.00 176.83 177.46 3knk h ALA 134 N -0.97 1.88 -0.81 6.23 0.00 -1.24 0.94 119.26 125.29 3knk h ALA 134 Ca -0.00 0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.14 3knk h ALA 134 Cb 0.10 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 3knk h ALA 134 CO -0.00 -0.26 0.54 1.25 0.00 0.00 0.00 179.25 180.78 3knk h LEU 135 N 0.62 0.43 0.06 0.00 7.12 -1.48 -1.69 115.31 120.37 3knk h LEU 135 Ca 0.57 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.61 3knk h LEU 135 Cb 1.09 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 41.17 3knk h LEU 135 CO -0.34 0.21 -0.03 -0.33 -0.13 0.00 0.00 178.44 177.82 3knk h GLU 136 N 0.45 -0.08 -0.64 1.25 4.39 0.83 -3.04 114.58 117.74 3knk h GLU 136 Ca 0.40 0.01 0.24 0.00 0.34 0.00 0.00 59.36 60.35 3knk h GLU 136 Cb 0.90 0.02 -0.12 0.00 -0.10 0.00 0.00 28.75 29.45 3knk h GLU 136 CO -0.14 -0.05 0.26 1.63 -1.16 0.00 0.00 179.01 179.55 3knk n LYS 137 N -2.62 -0.04 0.11 2.33 5.02 -0.84 0.47 118.16 122.59 3knk n LYS 137 Ca -0.01 0.90 -0.01 0.00 -2.02 0.00 0.00 58.31 57.17 3knk n LYS 137 Cb 0.03 -1.57 0.26 0.00 -0.02 0.00 0.00 35.03 33.73 3knk n LYS 137 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3knk h LEU 138 N 0.00 0.20 -0.48 -0.35 5.85 -1.41 -3.21 115.31 115.91 3knk h LEU 138 Ca 0.50 -0.08 0.13 0.00 0.84 0.00 0.00 57.88 59.28 3knk h LEU 138 Cb 1.27 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 42.16 3knk h LEU 138 CO -0.52 0.57 0.01 1.17 -0.34 0.00 0.00 178.44 179.33 3knk n LYS 139 N -4.05 -0.04 -1.36 1.25 4.81 1.69 -1.23 118.16 119.23 3knk n LYS 139 Ca -0.01 0.72 -0.38 0.00 -0.87 0.00 0.00 58.31 57.76 3knk n LYS 139 Cb 0.45 -1.14 -0.02 0.00 0.02 0.00 0.00 35.03 34.34 3knk n LYS 139 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3knk n ALA 140 N -3.43 5.96 -0.51 3.14 0.00 -1.21 -4.44 120.51 120.02 3knk n ALA 140 Ca 0.11 -3.42 0.00 0.00 0.00 0.00 0.00 53.44 50.14 3knk n ALA 140 Cb 0.37 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.40 3knk n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knk n ALA 141 N 5.03 -1.02 -3.49 0.00 0.00 -0.36 -4.72 120.51 115.94 3knk n ALA 141 Ca 0.61 0.00 0.07 0.00 0.00 0.00 0.00 53.44 54.13 3knk n ALA 141 Cb 0.29 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.75 3knk n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knk n GLY 142 N -0.15 0.57 3.87 0.00 0.00 -1.17 -2.44 105.19 105.88 3knk n GLY 142 Ca 0.00 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.84 3knk n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3knk s GLY 143 N -3.10 1.83 0.00 -0.02 0.00 -1.10 -4.70 107.32 100.24 3knk s GLY 143 Ca 0.14 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.18 3knk s GLY 143 CO 0.01 -1.58 0.21 -2.21 0.00 0.00 0.00 173.10 169.53 3knk n GLU 144 N -1.43 0.42 -1.23 2.90 2.13 -1.26 -4.53 120.64 117.64 3knk n GLU 144 Ca -0.01 -0.21 -0.27 0.00 0.66 0.00 0.00 57.16 57.34 3knk n GLU 144 Cb 0.60 -0.66 -0.15 0.00 0.27 0.00 0.00 31.44 31.50 3knk n GLU 144 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3knk n PRO 145 N -0.12 0.00 0.00 5.31 -0.02 -1.25 -4.77 135.00 134.14 3knk n PRO 145 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3knk n PRO 145 Cb 0.09 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 3knk n PRO 145 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3knk n VAL 146 N 5.41 0.00 0.00 -1.45 3.14 -1.25 -0.95 118.33 123.23 3knk n VAL 146 Ca 0.55 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.93 3knk n VAL 146 Cb 0.06 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.84 3knk n VAL 146 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3knk n LEU 147 N 0.00 0.00 0.00 6.55 7.94 -1.26 -4.78 117.00 125.45 3knk n LEU 147 Ca 0.00 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.95 3knk n LEU 147 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 3knk n LEU 147 CO 0.00 0.00 -0.06 0.18 -1.11 0.00 0.00 177.39 176.40 3knk n LEU 148 N 0.00 0.00 -2.87 -1.96 4.77 -1.26 -4.87 117.00 110.80 3knk n LEU 148 Ca 0.00 0.36 -0.07 0.00 -0.03 0.00 0.00 56.01 56.28 3knk n LEU 148 Cb 0.00 -1.03 0.01 0.00 -2.33 0.00 0.00 43.42 40.07 3knk n LEU 148 CO 0.00 -1.70 -0.25 -0.62 -1.33 0.00 0.00 177.39 173.49 3knk n GLU 149 N -2.37 -2.67 0.00 3.23 -0.58 -1.26 -5.16 120.64 111.82 3knk n GLU 149 Ca 0.00 2.26 0.12 0.00 -0.42 0.00 0.00 57.16 59.12 3knk n GLU 149 Cb 0.15 -4.92 0.13 0.00 -0.57 0.00 0.00 31.44 26.24 3knk n GLU 149 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65