#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knk n LYS 13 N 0.00 0.00 -1.51 -0.52 4.76 -1.26 -4.13 118.16 115.50 3knk n LYS 13 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 3knk n LYS 13 Cb 0.00 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.17 3knk n LYS 13 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3knk n GLY 14 N 0.00 3.62 2.92 0.72 0.00 -1.26 -4.85 105.19 106.34 3knk n GLY 14 Ca 0.00 -1.45 -0.15 0.00 0.00 0.00 0.00 46.02 44.41 3knk n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3knk s VAL 15 N 4.00 0.29 -0.54 1.61 -7.23 -1.26 -4.48 120.40 112.79 3knk s VAL 15 Ca 0.51 -0.12 -0.28 0.00 -1.81 0.00 0.00 61.98 60.28 3knk s VAL 15 Cb 0.14 -0.27 0.01 0.00 0.56 0.00 0.00 36.38 36.82 3knk s VAL 15 CO -0.00 0.10 1.51 -0.44 -0.31 0.00 0.00 175.10 175.95 3knk s SER 16 N 0.11 6.00 -0.43 4.85 0.01 -0.55 -4.88 113.70 118.82 3knk s SER 16 Ca -0.01 0.41 -0.01 0.00 1.31 0.00 0.00 55.95 57.65 3knk s SER 16 Cb -0.04 -2.54 0.29 0.00 0.21 0.00 0.00 66.02 63.94 3knk s SER 16 CO -0.00 -1.78 2.02 0.52 0.41 0.00 0.00 173.24 174.40 3knk n VAL 17 N 6.96 3.05 -1.79 3.43 0.31 -1.26 -3.08 118.33 125.95 3knk n VAL 17 Ca 0.15 -2.05 -0.38 0.00 -0.01 0.00 0.00 64.34 62.04 3knk n VAL 17 Cb 0.49 -1.28 0.05 0.00 -0.91 0.00 0.00 33.84 32.19 3knk n VAL 17 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3knk s GLU 18 N -2.45 2.98 -0.40 5.55 2.02 -1.22 -4.43 118.70 120.74 3knk s GLU 18 Ca 0.42 2.16 0.01 0.00 0.02 0.00 0.00 54.97 57.58 3knk s GLU 18 Cb 0.33 -2.13 0.14 0.00 0.10 0.00 0.00 34.13 32.57 3knk s GLU 18 CO -0.01 -1.29 0.25 0.08 0.02 0.00 0.00 175.26 174.31 3knk s VAL 19 N -1.34 0.70 0.84 2.63 1.01 -1.26 -2.98 120.40 119.99 3knk s VAL 19 Ca 0.75 -2.22 -0.14 0.00 0.00 0.00 0.00 61.98 60.37 3knk s VAL 19 Cb -0.39 -1.50 0.21 0.00 0.00 0.00 0.00 36.38 34.70 3knk s VAL 19 CO 0.45 -0.99 0.72 0.00 0.00 0.00 0.00 175.10 175.28 3knk n ALA 20 N 3.63 -2.42 -1.00 5.51 0.00 -1.19 -4.91 120.51 120.13 3knk n ALA 20 Ca 0.14 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.48 3knk n ALA 20 Cb 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.75 3knk n ALA 20 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3knk n PRO 21 N -3.83 0.00 -0.24 0.00 -0.02 -1.26 -3.61 135.00 126.04 3knk n PRO 21 Ca 0.10 0.06 0.06 0.00 -2.02 0.00 0.00 63.50 61.70 3knk n PRO 21 Cb 0.40 -0.64 0.18 0.00 -0.02 0.00 0.00 33.50 33.42 3knk n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knk n GLY 22 N -0.20 1.04 0.00 -1.23 0.00 -1.26 -4.89 105.19 98.65 3knk n GLY 22 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3knk n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knk n ARG 23 N 0.61 2.42 -2.84 1.61 5.12 -1.24 0.87 116.66 123.22 3knk n ARG 23 Ca 0.13 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 56.09 3knk n ARG 23 Cb 0.39 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.70 3knk n ARG 23 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3knk s VAL 24 N -0.25 -0.06 -0.48 1.55 -7.23 -1.26 -3.16 120.40 109.51 3knk s VAL 24 Ca 0.00 0.00 -0.27 0.00 -1.81 0.00 0.00 61.98 59.90 3knk s VAL 24 Cb 0.00 -0.02 -0.03 0.00 0.56 0.00 0.00 36.38 36.89 3knk s VAL 24 CO 0.00 0.00 1.93 -1.59 -0.31 0.00 0.00 175.10 175.13 3knk s LYS 25 N 2.32 2.82 -1.23 4.82 0.00 -1.16 -4.39 119.74 122.92 3knk s LYS 25 Ca 0.20 1.06 -0.10 0.00 0.00 0.00 0.00 55.97 57.13 3knk s LYS 25 Cb 0.03 -4.35 0.19 0.00 0.00 0.00 0.00 37.83 33.70 3knk s LYS 25 CO -0.18 -2.48 1.65 0.28 0.00 0.00 0.00 175.35 174.62 3knk n VAL 26 N 7.41 4.44 -1.62 1.79 0.31 -1.11 -3.44 118.33 126.12 3knk n VAL 26 Ca 0.24 -4.72 -0.29 0.00 -0.01 0.00 0.00 64.34 59.56 3knk n VAL 26 Cb 0.50 -2.38 0.11 0.00 -0.91 0.00 0.00 33.84 31.17 3knk n VAL 26 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3knk s LYS 27 N 0.33 1.58 0.00 5.55 1.02 -1.18 -3.42 119.74 123.63 3knk s LYS 27 Ca 0.39 0.35 0.00 0.00 0.02 0.00 0.00 55.97 56.73 3knk s LYS 27 Cb 0.04 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.47 3knk s LYS 27 CO 0.01 -1.91 0.00 0.41 -0.92 0.00 0.00 175.35 172.94 3knk n GLY 28 N -2.41 -0.64 0.00 -3.33 0.00 -1.26 -1.48 105.19 96.07 3knk n GLY 28 Ca 0.07 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3knk n GLY 28 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3knk n PRO 29 N 0.00 0.00 0.00 1.61 -0.02 -1.24 -3.93 135.00 131.42 3knk n PRO 29 Ca 0.00 0.08 0.09 0.00 -2.02 0.00 0.00 63.50 61.64 3knk n PRO 29 Cb 0.00 -0.66 0.41 0.00 -0.02 0.00 0.00 33.50 33.23 3knk n PRO 29 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3knk n LYS 30 N -0.24 0.12 0.00 -0.52 4.76 -1.11 -4.94 118.16 116.23 3knk n LYS 30 Ca 0.00 0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 3knk n LYS 30 Cb 0.00 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 3knk n LYS 30 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3knk n GLY 31 N 0.27 3.88 3.84 0.72 0.00 -1.25 -5.06 105.19 107.58 3knk n GLY 31 Ca 0.06 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 3knk n GLY 31 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3knk s GLU 32 N -2.51 4.04 0.11 1.61 2.12 -1.26 -4.20 118.70 118.61 3knk s GLU 32 Ca 0.00 0.81 -0.06 0.00 0.36 0.00 0.00 54.97 56.09 3knk s GLU 32 Cb 0.00 -2.32 -0.02 0.00 0.26 0.00 0.00 34.13 32.05 3knk s GLU 32 CO 0.00 0.03 0.15 -0.51 -0.54 0.00 0.00 175.26 174.39 3knk s LEU 33 N -3.26 1.54 -0.01 2.70 1.43 -1.22 -4.99 118.68 114.87 3knk s LEU 33 Ca 0.57 -0.90 0.07 0.00 -1.03 0.00 0.00 54.13 52.84 3knk s LEU 33 Cb -0.10 0.78 -0.02 0.00 0.03 0.00 0.00 46.19 46.89 3knk s LEU 33 CO 0.19 -0.76 -0.24 -1.61 0.23 0.00 0.00 176.35 174.17 3knk s GLU 34 N -3.94 1.89 -0.28 1.70 0.41 -1.26 -2.73 118.70 114.48 3knk s GLU 34 Ca 0.13 -0.87 -0.01 0.00 -0.41 0.00 0.00 54.97 53.81 3knk s GLU 34 Cb 0.05 -1.85 0.13 0.00 -1.78 0.00 0.00 34.13 30.69 3knk s GLU 34 CO -0.05 0.50 0.27 0.08 -0.49 0.00 0.00 175.26 175.58 3knk s VAL 35 N -0.58 -0.36 1.02 2.63 1.01 -1.26 -5.08 120.40 117.78 3knk s VAL 35 Ca 0.09 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 3knk s VAL 35 Cb -0.09 -0.96 0.13 0.00 0.00 0.00 0.00 36.38 35.46 3knk s VAL 35 CO -0.01 -0.48 0.65 -0.81 0.00 0.00 0.00 175.10 174.45 3knk n PRO 36 N 5.31 -1.03 -3.71 2.72 -0.04 -1.26 -4.20 135.00 132.78 3knk n PRO 36 Ca -0.03 -0.26 -0.11 0.00 -0.04 0.00 0.00 63.50 63.06 3knk n PRO 36 Cb 0.46 -2.03 -0.12 0.00 -0.04 0.00 0.00 33.50 31.77 3knk n PRO 36 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3knk s VAL 37 N -2.43 -0.05 0.16 0.52 1.01 0.25 -4.93 120.40 114.93 3knk s VAL 37 Ca 0.62 0.13 -0.31 0.00 0.00 0.00 0.00 61.98 62.41 3knk s VAL 37 Cb -0.21 -0.49 -0.17 0.00 0.00 0.00 0.00 36.38 35.52 3knk s VAL 37 CO 0.64 0.05 0.74 -0.24 0.00 0.00 0.00 175.10 176.29 3knk n SER 38 N 4.28 -0.55 -1.58 3.32 2.88 -1.26 -4.58 113.62 116.13 3knk n SER 38 Ca -0.24 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 3knk n SER 38 Cb 0.54 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 3knk n SER 38 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3knk n PRO 39 N 1.15 0.21 -2.02 -1.46 -0.02 -1.26 -4.57 135.00 127.03 3knk n PRO 39 Ca 0.17 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.62 3knk n PRO 39 Cb 0.22 -1.39 -0.00 0.00 -0.02 0.00 0.00 33.50 32.30 3knk n PRO 39 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3knk n GLU 40 N 1.55 1.57 0.00 -0.52 -0.58 -1.26 -4.87 120.64 116.53 3knk n GLU 40 Ca 0.00 -0.46 0.00 0.00 -0.42 0.00 0.00 57.16 56.28 3knk n GLU 40 Cb 0.11 0.08 0.00 0.00 -0.57 0.00 0.00 31.44 31.06 3knk n GLU 40 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3knk n MET 41 N -0.47 0.00 -2.56 3.49 2.81 -1.26 -4.69 117.12 114.44 3knk n MET 41 Ca -0.01 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.87 3knk n MET 41 Cb 0.08 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.59 3knk n MET 41 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3knk n ARG 42 N 0.00 -3.14 -4.94 0.03 0.63 -1.26 -4.64 116.66 103.34 3knk n ARG 42 Ca 0.00 2.55 -0.32 0.00 -0.92 0.00 0.00 57.85 59.16 3knk n ARG 42 Cb 0.00 -4.85 -0.17 0.00 0.45 0.00 0.00 32.46 27.89 3knk n ARG 42 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3knk s VAL 43 N -1.40 2.09 0.00 5.15 -7.23 -1.26 -4.83 120.40 112.92 3knk s VAL 43 Ca -0.01 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 3knk s VAL 43 Cb 0.00 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.13 3knk s VAL 43 CO 0.69 0.55 0.00 0.52 -0.31 0.00 0.00 175.10 176.55 3knk n VAL 44 N 3.79 0.00 -0.31 1.32 0.31 -1.26 -4.89 118.33 117.29 3knk n VAL 44 Ca -0.19 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.10 3knk n VAL 44 Cb 0.52 -1.79 0.01 0.00 -0.91 0.00 0.00 33.84 31.68 3knk n VAL 44 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3knk n VAL 45 N -1.23 1.98 -0.81 2.52 0.31 -1.26 -4.77 118.33 115.05 3knk n VAL 45 Ca 0.00 -0.64 -0.33 0.00 -0.01 0.00 0.00 64.34 63.35 3knk n VAL 45 Cb 0.00 -1.36 -0.05 0.00 -0.91 0.00 0.00 33.84 31.52 3knk n VAL 45 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3knk n GLU 46 N 1.06 0.00 0.00 5.55 0.00 -1.26 -4.47 120.64 121.52 3knk n GLU 46 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.23 3knk n GLU 46 Cb 0.54 -0.77 0.00 0.00 0.00 0.00 0.00 31.44 31.21 3knk n GLU 46 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3knk n GLU 47 N 2.61 0.00 0.00 3.44 1.02 -1.26 -3.47 120.64 122.98 3knk n GLU 47 Ca 0.20 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.36 3knk n GLU 47 Cb -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.39 3knk n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3knk n GLY 48 N 0.00 -0.32 0.00 0.62 0.00 -1.26 -4.99 105.19 99.24 3knk n GLY 48 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3knk n GLY 48 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3knk n VAL 49 N -0.30 0.00 -3.82 1.61 0.24 -1.23 -4.56 118.33 110.28 3knk n VAL 49 Ca 0.02 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.20 3knk n VAL 49 Cb 0.10 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.35 3knk n VAL 49 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3knk s VAL 50 N 1.03 -0.00 0.43 3.34 1.01 -1.25 -4.26 120.40 120.70 3knk s VAL 50 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.03 3knk s VAL 50 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.13 3knk s VAL 50 CO 0.00 0.00 0.15 -0.13 0.00 0.00 0.00 175.10 175.12 3knk s ARG 51 N 0.11 2.00 -0.03 2.72 0.52 -1.26 -5.07 118.95 117.93 3knk s ARG 51 Ca -0.00 -2.23 0.02 0.00 -0.52 0.00 0.00 55.73 52.99 3knk s ARG 51 Cb -0.01 -0.53 0.01 0.00 0.52 0.00 0.00 34.95 34.94 3knk s ARG 51 CO 0.00 -0.55 -0.07 0.08 0.02 0.00 0.00 175.30 174.78 3knk s VAL 52 N -3.17 0.65 0.00 3.52 1.01 -1.26 -4.89 120.40 116.26 3knk s VAL 52 Ca 0.22 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3knk s VAL 52 Cb 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.77 3knk s VAL 52 CO 0.15 0.23 0.00 -0.62 0.00 0.00 0.00 175.10 174.86 3knk n GLU 53 N 3.62 2.00 0.00 2.72 -0.58 -1.26 -5.07 120.64 122.07 3knk n GLU 53 Ca -0.21 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.53 3knk n GLU 53 Cb 0.53 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.40 3knk n GLU 53 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 3knk n ARG 54 N 0.00 0.00 0.00 3.49 -4.01 -1.26 -4.82 116.66 110.06 3knk n ARG 54 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 3knk n ARG 54 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 3knk n ARG 54 CO 0.00 0.00 0.00 -0.35 -3.04 0.00 0.00 177.63 174.24 3knk n PRO 55 N 0.00 0.00 -0.30 2.89 -0.04 -1.26 -4.93 135.00 131.35 3knk n PRO 55 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 3knk n PRO 55 Cb 0.00 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 33.58 3knk n PRO 55 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3knk n SER 56 N 0.00 -2.10 -3.81 3.54 3.41 -1.26 -5.02 113.62 108.38 3knk n SER 56 Ca 0.00 -0.62 -0.28 0.00 -0.26 0.00 0.00 58.87 57.71 3knk n SER 56 Cb 0.00 -0.44 -0.12 0.00 -0.26 0.00 0.00 64.21 63.39 3knk n SER 56 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3knk s ASP 57 N -2.66 4.12 0.24 4.04 1.01 -1.26 -4.88 116.67 117.29 3knk s ASP 57 Ca 0.30 -3.48 0.11 0.00 0.71 0.00 0.00 52.55 50.20 3knk s ASP 57 Cb -0.04 -1.39 -0.05 0.00 1.01 0.00 0.00 42.92 42.45 3knk s ASP 57 CO 0.24 -0.14 -0.16 -1.61 0.21 0.00 0.00 175.17 173.71 3knk s GLU 58 N -0.86 1.81 0.37 8.23 2.02 -1.26 -4.97 118.70 124.04 3knk s GLU 58 Ca 0.24 -1.58 0.26 0.00 0.02 0.00 0.00 54.97 53.91 3knk s GLU 58 Cb -0.09 -1.91 1.32 0.00 0.10 0.00 0.00 34.13 33.55 3knk s GLU 58 CO -0.13 0.37 1.79 -0.09 0.02 0.00 0.00 175.26 177.22 3knk h ARG 59 N 2.51 0.00 0.00 1.61 2.43 -1.98 0.48 114.38 119.43 3knk h ARG 59 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3knk h ARG 59 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3knk h ARG 59 CO 0.56 0.00 -0.18 0.00 -1.51 0.00 0.00 179.97 178.84 3knk h ARG 60 N 0.00 0.00 0.00 0.20 3.08 -1.98 -3.30 114.38 112.38 3knk h ARG 60 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 3knk h ARG 60 Cb 0.09 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 3knk h ARG 60 CO 0.00 0.00 -1.87 0.72 -1.07 0.00 0.00 179.97 177.75 3knk n HIS 61 N -2.91 0.00 -0.28 3.04 8.25 0.65 -4.47 115.22 119.50 3knk n HIS 61 Ca 0.04 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.64 3knk n HIS 61 Cb 0.52 -0.62 0.41 0.00 1.12 0.00 0.00 29.99 31.42 3knk n HIS 61 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3knk h LYS 62 N 0.00 0.59 -1.36 -0.41 1.57 -0.33 0.28 116.57 116.92 3knk h LYS 62 Ca -0.34 -0.04 -0.30 0.00 -1.87 0.00 0.00 60.65 58.10 3knk h LYS 62 Cb 1.76 -0.13 -0.14 0.00 0.08 0.00 0.00 32.23 33.79 3knk h LYS 62 CO 0.01 0.39 0.38 0.43 -0.57 0.00 0.00 179.45 180.09 3knk n SER 63 N -4.58 5.47 0.00 0.86 7.64 -1.24 -3.71 113.62 118.05 3knk n SER 63 Ca 0.19 -2.97 0.00 0.00 1.01 0.00 0.00 58.87 57.11 3knk n SER 63 Cb 0.57 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 3knk n SER 63 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3knk n LEU 64 N 0.15 0.67 -1.94 -3.43 4.77 0.08 -4.19 117.00 113.11 3knk n LEU 64 Ca 0.29 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 56.08 3knk n LEU 64 Cb 0.73 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.90 3knk n LEU 64 CO 0.35 0.11 1.18 1.57 -1.33 0.00 0.00 177.39 179.27 3knk n HIS 65 N -1.55 2.06 0.00 -1.77 -0.00 -1.19 -2.21 115.22 110.56 3knk n HIS 65 Ca 0.00 -1.94 0.00 0.00 0.46 0.00 0.00 57.72 56.24 3knk n HIS 65 Cb 0.20 -0.95 0.00 0.00 -0.12 0.00 0.00 29.99 29.12 3knk n HIS 65 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3knk n GLY 66 N -0.27 0.00 1.87 1.57 0.00 -1.26 -4.19 105.19 102.92 3knk n GLY 66 Ca 0.40 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.20 3knk n GLY 66 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3knk n LEU 67 N -0.33 5.56 0.00 0.99 7.94 -1.11 -4.10 117.00 125.96 3knk n LEU 67 Ca 0.00 -4.31 0.00 0.00 -1.11 0.00 0.00 56.01 50.59 3knk n LEU 67 Cb 0.00 -0.63 0.00 0.00 0.53 0.00 0.00 43.42 43.32 3knk n LEU 67 CO 0.00 1.65 0.00 0.41 -1.11 0.00 0.00 177.39 178.34 3knk n THR 68 N -0.91 0.00 0.33 1.96 -1.04 -0.94 -4.83 114.28 108.85 3knk n THR 68 Ca 0.47 0.00 0.20 0.00 -2.04 0.00 0.00 64.05 62.68 3knk n THR 68 Cb 0.93 0.00 1.12 0.00 -1.82 0.00 0.00 70.33 70.56 3knk n THR 68 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3knk h ARG 69 N 0.00 0.00 0.00 -2.82 2.43 -1.72 -3.37 114.38 108.90 3knk h ARG 69 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3knk h ARG 69 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3knk h ARG 69 CO 0.00 0.00 0.00 0.25 -1.51 0.00 0.00 179.97 178.71 3knk n THR 70 N -3.30 0.00 0.00 0.20 -2.24 -1.26 -4.70 114.28 102.99 3knk n THR 70 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3knk n THR 70 Cb 0.09 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 3knk n THR 70 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3knk n LEU 71 N 0.00 0.00 0.10 3.22 7.94 -1.26 -0.95 117.00 126.05 3knk n LEU 71 Ca 0.00 0.00 0.19 0.00 -1.11 0.00 0.00 56.01 55.09 3knk n LEU 71 Cb 0.00 0.00 0.75 0.00 0.53 0.00 0.00 43.42 44.70 3knk n LEU 71 CO 0.00 0.00 1.17 0.40 -1.11 0.00 0.00 177.39 177.85 3knk h ILE 72 N 0.00 0.51 0.00 1.96 2.04 -1.91 0.61 117.51 120.72 3knk h ILE 72 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 3knk h ILE 72 Cb 0.00 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3knk h ILE 72 CO 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 178.15 177.67 3knk h ALA 73 N 1.65 0.92 -0.03 1.87 0.00 -1.29 -3.03 119.26 119.35 3knk h ALA 73 Ca 0.18 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 3knk h ALA 73 Cb 0.88 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.61 3knk h ALA 73 CO -0.00 0.60 -0.67 -0.91 0.00 0.00 0.00 179.25 178.27 3knk h ASN 74 N 0.00 0.64 -0.07 0.00 -0.26 -0.01 -2.89 115.58 112.99 3knk h ASN 74 Ca -0.00 -0.72 0.02 0.00 -0.56 0.00 0.00 56.30 55.03 3knk h ASN 74 Cb 1.05 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 38.11 3knk h ASN 74 CO 0.06 1.27 0.06 0.00 -1.06 0.00 0.00 177.43 177.77 3knk h ALA 75 N 0.38 1.82 -0.16 -0.83 0.00 -1.42 0.34 119.26 119.38 3knk h ALA 75 Ca -0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3knk h ALA 75 Cb 1.35 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3knk h ALA 75 CO 0.13 -0.10 -0.06 0.28 0.00 0.00 0.00 179.25 179.51 3knk h VAL 76 N 0.00 1.30 0.00 0.00 2.07 -1.44 -1.13 116.25 117.05 3knk h VAL 76 Ca 0.03 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.49 3knk h VAL 76 Cb 0.15 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3knk h VAL 76 CO -0.00 0.31 0.00 0.29 0.02 0.00 0.00 177.57 178.19 3knk n LYS 77 N -4.65 0.35 -0.08 1.57 5.02 0.82 -2.55 118.16 118.63 3knk n LYS 77 Ca -0.05 0.08 -0.09 0.00 -2.02 0.00 0.00 58.31 56.22 3knk n LYS 77 Cb 0.28 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.75 3knk n LYS 77 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knk n GLY 78 N 0.50 -0.91 0.19 0.72 0.00 0.82 -2.43 105.19 104.08 3knk n GLY 78 Ca 0.11 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.16 3knk n GLY 78 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3knk h VAL 79 N -1.00 0.00 -0.93 1.61 -1.51 -1.28 0.44 116.25 113.57 3knk h VAL 79 Ca -0.10 -0.02 -0.61 0.00 -1.23 0.00 0.00 66.70 64.74 3knk h VAL 79 Cb 0.73 0.60 -0.30 0.00 -2.13 0.00 0.00 31.29 30.19 3knk h VAL 79 CO -0.06 0.00 0.58 -1.20 -1.23 0.00 0.00 177.57 175.66 3knk n SER 80 N -2.38 6.44 -2.03 4.19 7.64 -1.06 -2.76 113.62 123.66 3knk n SER 80 Ca -0.01 -3.76 -0.01 0.00 1.01 0.00 0.00 58.87 56.10 3knk n SER 80 Cb 0.05 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 3knk n SER 80 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3knk n GLU 81 N -0.94 -0.54 -0.25 1.43 1.02 0.13 -4.91 120.64 116.59 3knk n GLU 81 Ca 0.59 0.89 -0.01 0.00 -0.02 0.00 0.00 57.16 58.61 3knk n GLU 81 Cb 0.88 -2.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.32 3knk n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3knk n GLY 82 N -1.10 2.28 0.00 0.62 0.00 0.07 -4.75 105.19 102.32 3knk n GLY 82 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3knk n GLY 82 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3knk n TYR 83 N 0.93 0.00 -1.09 1.61 4.02 -1.09 -4.05 117.16 117.48 3knk n TYR 83 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3knk n TYR 83 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 3knk n TYR 83 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3knk n SER 84 N 0.00 -1.08 -1.36 7.72 3.41 -1.26 -2.66 113.62 118.39 3knk n SER 84 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3knk n SER 84 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3knk n SER 84 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3knk n LYS 85 N -0.29 0.00 -4.11 4.33 4.81 -1.26 -4.15 118.16 117.49 3knk n LYS 85 Ca 0.00 0.45 -0.15 0.00 -0.87 0.00 0.00 58.31 57.74 3knk n LYS 85 Cb 0.00 -1.05 -0.12 0.00 0.02 0.00 0.00 35.03 33.89 3knk n LYS 85 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3knk s GLU 86 N -0.31 0.66 -0.08 1.64 1.03 -1.26 0.21 118.70 120.58 3knk s GLU 86 Ca 0.00 -0.84 -0.04 0.00 0.03 0.00 0.00 54.97 54.11 3knk s GLU 86 Cb 0.00 -0.53 0.04 0.00 -0.80 0.00 0.00 34.13 32.84 3knk s GLU 86 CO 0.00 0.11 0.20 -0.51 -1.33 0.00 0.00 175.26 173.72 3knk s LEU 87 N -1.64 0.66 0.60 1.83 1.43 0.22 -4.66 118.68 117.12 3knk s LEU 87 Ca -0.06 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 3knk s LEU 87 Cb -0.10 0.56 0.05 0.00 0.03 0.00 0.00 46.19 46.74 3knk s LEU 87 CO 0.01 -0.15 0.84 -0.76 0.23 0.00 0.00 176.35 176.53 3knk s LEU 88 N 1.07 3.16 0.00 1.79 2.01 -0.29 0.97 118.68 127.40 3knk s LEU 88 Ca -0.08 -0.04 0.00 0.00 0.01 0.00 0.00 54.13 54.02 3knk s LEU 88 Cb -0.10 -2.72 0.00 0.00 0.01 0.00 0.00 46.19 43.39 3knk s LEU 88 CO -0.06 -1.33 0.00 2.30 1.01 0.00 0.00 176.35 178.27 3knk n ILE 89 N -2.50 0.00 0.00 -0.59 -6.64 -1.25 -0.97 119.36 107.41 3knk n ILE 89 Ca 0.09 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 61.07 3knk n ILE 89 Cb 0.60 0.49 0.00 0.00 -1.44 0.00 0.00 39.64 39.29 3knk n ILE 89 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 3knk n LYS 90 N 0.00 0.00 -0.63 6.28 4.76 -1.26 -4.33 118.16 122.97 3knk n LYS 90 Ca 0.00 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.53 3knk n LYS 90 Cb 0.00 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.17 3knk n LYS 90 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3knk n GLY 91 N 0.00 -1.91 0.00 0.72 0.00 -1.26 -4.68 105.19 98.06 3knk n GLY 91 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3knk n GLY 91 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3knk n ILE 92 N -2.46 0.00 -0.94 -0.61 5.41 -1.26 -4.71 119.36 114.79 3knk n ILE 92 Ca 0.00 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.60 3knk n ILE 92 Cb 0.29 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.17 3knk n ILE 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3knk n GLY 93 N 5.00 0.08 3.23 7.39 0.00 -1.26 -4.79 105.19 114.83 3knk n GLY 93 Ca 0.00 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 3knk n GLY 93 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3knk s TYR 94 N 5.77 1.36 0.00 1.61 1.51 -1.26 -4.62 117.35 121.72 3knk s TYR 94 Ca 0.32 -0.53 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 3knk s TYR 94 Cb 0.04 -0.73 0.00 0.00 -0.11 0.00 0.00 41.96 41.16 3knk s TYR 94 CO 0.13 0.12 0.00 2.89 -1.11 0.00 0.00 175.55 177.58 3knk n ARG 95 N 0.73 -0.46 -3.72 -0.62 1.85 -1.13 -4.86 116.66 108.44 3knk n ARG 95 Ca -0.17 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.54 3knk n ARG 95 Cb 0.56 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.83 3knk n ARG 95 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3knk s ALA 96 N -2.00 -0.37 0.17 2.89 0.00 -1.16 -1.68 121.76 119.61 3knk s ALA 96 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.75 3knk s ALA 96 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.50 3knk s ALA 96 CO 0.00 -0.27 0.00 0.54 0.00 0.00 0.00 175.76 176.03 3knk n ARG 97 N 4.48 3.79 -2.66 0.00 1.74 0.25 -4.79 116.66 119.47 3knk n ARG 97 Ca -0.21 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.84 3knk n ARG 97 Cb 0.52 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 32.06 3knk n ARG 97 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3knk n LEU 98 N 0.00 -1.10 -4.60 0.55 7.94 -1.26 -4.36 117.00 114.18 3knk n LEU 98 Ca 0.00 -1.63 -0.43 0.00 -1.11 0.00 0.00 56.01 52.84 3knk n LEU 98 Cb 0.00 0.85 -0.02 0.00 0.53 0.00 0.00 43.42 44.78 3knk n LEU 98 CO 0.00 1.54 1.00 -0.69 -1.11 0.00 0.00 177.39 178.12 3knk s VAL 99 N 0.03 4.24 0.00 1.96 1.01 -0.59 -4.73 120.40 122.31 3knk s VAL 99 Ca 0.22 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.40 3knk s VAL 99 Cb 0.27 -4.58 0.00 0.00 0.00 0.00 0.00 36.38 32.07 3knk s VAL 99 CO -0.17 -0.97 0.00 0.61 0.00 0.00 0.00 175.10 174.57 3knk n GLY 100 N 4.82 -1.51 0.60 4.51 0.00 -1.26 -2.62 105.19 109.73 3knk n GLY 100 Ca 0.11 -1.31 0.01 0.00 0.00 0.00 0.00 46.02 44.84 3knk n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knk n ARG 101 N -0.01 1.58 -3.62 1.61 1.74 -1.26 -4.77 116.66 111.93 3knk n ARG 101 Ca 0.00 -0.53 -0.24 0.00 -0.77 0.00 0.00 57.85 56.31 3knk n ARG 101 Cb 0.00 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 29.97 3knk n ARG 101 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3knk s ALA 102 N -1.46 4.49 0.03 7.54 0.00 -1.08 -3.66 121.76 127.62 3knk s ALA 102 Ca 0.09 -1.55 -0.02 0.00 0.00 0.00 0.00 51.96 50.48 3knk s ALA 102 Cb 0.07 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 3knk s ALA 102 CO 0.04 -0.55 0.01 -0.48 0.00 0.00 0.00 175.76 174.78 3knk s LEU 103 N -4.38 2.14 -0.17 0.00 2.34 -1.04 -1.55 118.68 116.03 3knk s LEU 103 Ca 0.43 -0.60 -0.01 0.00 0.06 0.00 0.00 54.13 54.00 3knk s LEU 103 Cb -0.03 0.29 -0.01 0.00 -0.56 0.00 0.00 46.19 45.87 3knk s LEU 103 CO 0.27 -0.43 -0.10 -0.70 -1.06 0.00 0.00 176.35 174.33 3knk s GLU 104 N -2.31 3.36 0.32 1.48 2.12 -1.25 0.79 118.70 123.22 3knk s GLU 104 Ca -0.08 -0.67 -0.04 0.00 0.36 0.00 0.00 54.97 54.54 3knk s GLU 104 Cb -0.03 -2.76 -0.05 0.00 0.26 0.00 0.00 34.13 31.55 3knk s GLU 104 CO -0.04 0.04 0.59 -0.51 -0.54 0.00 0.00 175.26 174.80 3knk s LEU 105 N 0.80 4.00 -0.31 2.70 2.01 0.15 -0.59 118.68 127.45 3knk s LEU 105 Ca -0.04 0.71 0.02 0.00 0.01 0.00 0.00 54.13 54.83 3knk s LEU 105 Cb -0.15 -3.55 0.16 0.00 0.01 0.00 0.00 46.19 42.66 3knk s LEU 105 CO 0.01 -0.26 0.40 0.42 1.01 0.00 0.00 176.35 177.93 3knk s THR 106 N -2.20 -0.57 -0.23 5.49 -4.23 -0.67 -0.39 115.64 112.84 3knk s THR 106 Ca 0.44 -0.42 -0.04 0.00 -1.18 0.00 0.00 61.69 60.49 3knk s THR 106 Cb -0.10 -0.89 0.12 0.00 1.34 0.00 0.00 72.50 72.97 3knk s THR 106 CO 0.33 -0.35 0.37 0.68 -0.54 0.00 0.00 174.62 175.11 3knk s VAL 107 N 2.31 -0.59 0.00 2.29 -7.23 -1.26 -2.85 120.40 113.07 3knk s VAL 107 Ca 0.11 -0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.27 3knk s VAL 107 Cb -0.13 -0.76 0.00 0.00 0.56 0.00 0.00 36.38 36.05 3knk s VAL 107 CO -0.25 -0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.07 3knk n GLY 108 N 5.37 0.00 0.00 2.32 0.00 -1.26 -4.84 105.19 106.78 3knk n GLY 108 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3knk n GLY 108 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3knk n PHE 109 N 0.00 -0.02 -1.07 1.61 3.01 -1.26 -4.98 117.46 114.76 3knk n PHE 109 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3knk n PHE 109 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 3knk n PHE 109 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3knk n SER 110 N 0.00 0.00 -3.41 4.37 3.41 -1.26 -5.01 113.62 111.72 3knk n SER 110 Ca 0.00 -1.00 -0.19 0.00 -0.26 0.00 0.00 58.87 57.42 3knk n SER 110 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 3knk n SER 110 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3knk s HIS 111 N 0.00 -0.25 -0.37 7.33 3.76 -1.26 -5.12 115.29 119.38 3knk s HIS 111 Ca 0.00 -0.52 -0.41 0.00 -0.15 0.00 0.00 55.06 53.99 3knk s HIS 111 Cb 0.00 -0.53 -0.16 0.00 1.11 0.00 0.00 32.58 33.00 3knk s HIS 111 CO 0.00 -0.92 1.90 -0.35 -0.85 0.00 0.00 174.74 174.52 3knk n PRO 112 N 4.95 0.77 -2.10 8.40 -0.04 -1.26 -4.86 135.00 140.85 3knk n PRO 112 Ca 0.02 0.26 -0.43 0.00 -0.04 0.00 0.00 63.50 63.31 3knk n PRO 112 Cb 0.45 -1.99 -0.03 0.00 -0.04 0.00 0.00 33.50 31.89 3knk n PRO 112 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3knk s VAL 113 N 4.76 3.64 -0.18 0.52 1.01 0.48 -4.76 120.40 125.87 3knk s VAL 113 Ca 1.06 0.70 -0.29 0.00 0.00 0.00 0.00 61.98 63.44 3knk s VAL 113 Cb -1.16 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 31.46 3knk s VAL 113 CO 0.65 -0.39 1.20 -0.69 0.00 0.00 0.00 175.10 175.86 3knk s VAL 114 N 5.81 4.39 -0.53 2.92 1.01 -1.26 0.34 120.40 133.08 3knk s VAL 114 Ca 0.73 1.69 0.04 0.00 0.00 0.00 0.00 61.98 64.43 3knk s VAL 114 Cb -0.23 -4.09 0.15 0.00 0.00 0.00 0.00 36.38 32.22 3knk s VAL 114 CO 0.31 -0.15 0.34 -0.69 0.00 0.00 0.00 175.10 174.92 3knk s VAL 115 N 3.40 1.88 0.45 2.92 1.01 0.24 -4.97 120.40 125.32 3knk s VAL 115 Ca 0.52 -3.25 -0.24 0.00 0.00 0.00 0.00 61.98 59.01 3knk s VAL 115 Cb -0.20 -2.28 -0.07 0.00 0.00 0.00 0.00 36.38 33.83 3knk s VAL 115 CO 0.12 -0.98 1.25 -0.70 0.00 0.00 0.00 175.10 174.80 3knk s GLU 116 N -0.38 3.75 0.41 2.72 2.12 -1.26 -2.49 118.70 123.56 3knk s GLU 116 Ca 0.23 2.01 -0.12 0.00 0.36 0.00 0.00 54.97 57.44 3knk s GLU 116 Cb -0.13 -2.54 -0.07 0.00 0.26 0.00 0.00 34.13 31.65 3knk s GLU 116 CO -0.09 -0.63 0.80 -1.25 -0.54 0.00 0.00 175.26 173.56 3knk s PRO 117 N -2.53 3.85 0.69 4.30 0.04 -1.26 -4.97 135.00 135.12 3knk s PRO 117 Ca 0.62 0.59 -0.11 0.00 0.04 0.00 0.00 61.00 62.13 3knk s PRO 117 Cb -0.35 -2.35 0.16 0.00 0.04 0.00 0.00 34.50 32.00 3knk s PRO 117 CO 0.43 -0.05 0.93 -0.35 0.04 0.00 0.00 177.00 178.01 3knk n PRO 118 N -1.20 -0.89 -1.93 0.56 -0.04 -1.26 -4.92 135.00 125.31 3knk n PRO 118 Ca 0.03 -1.47 -0.40 0.00 -0.04 0.00 0.00 63.50 61.62 3knk n PRO 118 Cb 0.54 -0.95 -0.03 0.00 -0.04 0.00 0.00 33.50 33.02 3knk n PRO 118 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3knk s GLU 119 N -5.03 2.88 0.00 0.54 2.12 -1.26 -3.20 118.70 114.75 3knk s GLU 119 Ca 0.53 1.14 0.00 0.00 0.36 0.00 0.00 54.97 57.00 3knk s GLU 119 Cb -0.01 -4.33 0.00 0.00 0.26 0.00 0.00 34.13 30.04 3knk s GLU 119 CO 0.37 -2.41 0.00 0.41 -0.54 0.00 0.00 175.26 173.10 3knk n GLY 120 N 5.63 1.71 2.96 -1.50 0.00 -1.26 -5.12 105.19 107.60 3knk n GLY 120 Ca 0.24 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 3knk n GLY 120 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3knk s ILE 121 N -2.00 0.56 -0.34 -0.61 1.01 -1.19 -4.38 121.20 114.24 3knk s ILE 121 Ca 0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.32 3knk s ILE 121 Cb 0.00 -0.51 0.02 0.00 0.01 0.00 0.00 42.46 41.98 3knk s ILE 121 CO 0.00 0.18 0.14 -0.89 0.00 0.00 0.00 174.94 174.37 3knk s THR 122 N 0.21 4.17 -0.93 2.92 2.01 -1.15 -4.76 115.64 118.11 3knk s THR 122 Ca -0.03 -0.88 -0.23 0.00 0.31 0.00 0.00 61.69 60.87 3knk s THR 122 Cb -0.07 -3.28 0.06 0.00 0.01 0.00 0.00 72.50 69.22 3knk s THR 122 CO -0.00 -0.12 1.32 -0.36 -0.69 0.00 0.00 174.62 174.77 3knk s PHE 123 N 1.49 2.62 0.19 4.92 0.40 -1.24 -0.28 117.98 126.08 3knk s PHE 123 Ca 0.01 -0.80 -0.17 0.00 -0.60 0.00 0.00 56.93 55.37 3knk s PHE 123 Cb -0.19 -4.58 -0.08 0.00 0.51 0.00 0.00 43.02 38.69 3knk s PHE 123 CO 0.04 -1.85 0.64 -1.21 0.70 0.00 0.00 175.22 173.54 3knk s GLU 124 N 4.58 4.11 -0.42 0.44 2.02 0.22 -4.86 118.70 124.81 3knk s GLU 124 Ca 0.40 0.68 0.08 0.00 0.02 0.00 0.00 54.97 56.15 3knk s GLU 124 Cb -0.03 -2.90 0.25 0.00 0.10 0.00 0.00 34.13 31.55 3knk s GLU 124 CO -0.04 0.43 0.55 0.28 0.02 0.00 0.00 175.26 176.50 3knk n VAL 125 N 0.74 -0.36 -2.63 2.63 0.31 -1.26 -0.04 118.33 117.73 3knk n VAL 125 Ca -0.04 -4.16 -0.42 0.00 -0.01 0.00 0.00 64.34 59.72 3knk n VAL 125 Cb 0.51 -1.91 -0.03 0.00 -0.91 0.00 0.00 33.84 31.51 3knk n VAL 125 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3knk s PRO 126 N -1.37 3.48 0.00 5.55 0.04 -1.23 -4.62 135.00 136.85 3knk s PRO 126 Ca 0.36 -1.01 0.00 0.00 0.04 0.00 0.00 61.00 60.39 3knk s PRO 126 Cb 0.18 -4.98 0.00 0.00 0.04 0.00 0.00 34.50 29.73 3knk s PRO 126 CO -0.10 -2.11 0.00 0.39 0.04 0.00 0.00 177.00 175.22 3knk n GLU 127 N 8.60 0.00 0.00 4.56 1.02 -1.26 -4.57 120.64 128.98 3knk n GLU 127 Ca 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 3knk n GLU 127 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 3knk n GLU 127 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3knk n PRO 128 N 1.09 0.00 -2.36 3.49 -0.04 -1.26 -0.70 135.00 135.21 3knk n PRO 128 Ca 0.00 0.12 -0.16 0.00 -0.04 0.00 0.00 63.50 63.42 3knk n PRO 128 Cb 0.00 -1.55 0.03 0.00 -0.04 0.00 0.00 33.50 31.93 3knk n PRO 128 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3knk n THR 129 N -1.03 2.03 -3.54 0.52 -2.24 -1.26 -2.98 114.28 105.79 3knk n THR 129 Ca 0.00 -3.84 -0.01 0.00 -2.27 0.00 0.00 64.05 57.93 3knk n THR 129 Cb 0.05 -0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 67.92 3knk n THR 129 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3knk s ARG 130 N -3.62 0.39 -0.25 -0.78 3.52 0.12 -3.84 118.95 114.48 3knk s ARG 130 Ca 0.42 0.83 -0.00 0.00 -0.13 0.00 0.00 55.73 56.84 3knk s ARG 130 Cb 0.39 0.34 0.07 0.00 -1.56 0.00 0.00 34.95 34.19 3knk s ARG 130 CO -0.01 -0.11 0.01 0.08 -0.81 0.00 0.00 175.30 174.46 3knk s VAL 131 N 2.05 1.12 0.34 7.11 1.01 0.27 -3.51 120.40 128.79 3knk s VAL 131 Ca -0.06 -1.13 0.07 0.00 0.00 0.00 0.00 61.98 60.86 3knk s VAL 131 Cb -0.06 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 3knk s VAL 131 CO -0.17 -0.30 0.42 -0.13 0.00 0.00 0.00 175.10 174.93 3knk s ARG 132 N 1.56 3.00 -0.20 2.72 0.52 0.94 0.72 118.95 128.21 3knk s ARG 132 Ca 0.00 -1.10 -0.08 0.00 -0.52 0.00 0.00 55.73 54.04 3knk s ARG 132 Cb -0.18 -2.72 0.09 0.00 0.52 0.00 0.00 34.95 32.65 3knk s ARG 132 CO -0.11 0.06 0.45 0.08 0.02 0.00 0.00 175.30 175.80 3knk s VAL 133 N -2.22 -0.52 0.15 3.52 1.01 0.56 0.72 120.40 123.62 3knk s VAL 133 Ca 0.44 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.25 3knk s VAL 133 Cb -0.08 -0.69 -0.08 0.00 0.00 0.00 0.00 36.38 35.52 3knk s VAL 133 CO 0.30 0.06 1.26 -0.44 0.00 0.00 0.00 175.10 176.28 3knk s SER 134 N 2.35 6.99 -0.08 3.32 0.01 0.61 -4.19 113.70 122.71 3knk s SER 134 Ca -0.04 2.24 0.01 0.00 1.31 0.00 0.00 55.95 59.48 3knk s SER 134 Cb -0.11 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.54 3knk s SER 134 CO -0.14 -0.49 -0.11 -0.83 0.41 0.00 0.00 173.24 172.09 3knk s GLY 135 N 0.58 0.80 0.13 3.44 0.00 -1.09 -2.93 107.32 108.25 3knk s GLY 135 Ca 0.57 -0.46 0.06 0.00 0.00 0.00 0.00 44.72 44.89 3knk s GLY 135 CO 0.34 0.35 1.29 -2.22 0.00 0.00 0.00 173.10 172.86 3knk h ILE 136 N 6.04 1.67 -0.09 0.90 2.04 -1.80 -2.89 117.51 123.38 3knk h ILE 136 Ca -0.31 -3.27 0.00 0.00 1.00 0.00 0.00 64.86 62.28 3knk h ILE 136 Cb 1.17 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 40.05 3knk h ILE 136 CO 0.46 0.94 0.00 -0.67 0.00 0.00 0.00 178.15 178.87 3knk n ASP 137 N -3.41 0.00 0.04 1.72 -0.08 -1.26 -4.46 116.55 109.09 3knk n ASP 137 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 3knk n ASP 137 Cb 0.93 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.39 3knk n ASP 137 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 3knk n LYS 138 N 0.00 0.00 -0.13 -0.67 3.00 -1.26 -4.71 118.16 114.39 3knk n LYS 138 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 3knk n LYS 138 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 3knk n LYS 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 3knk h GLN 139 N 0.00 0.64 -0.39 1.64 -0.00 -1.98 0.19 115.11 115.20 3knk h GLN 139 Ca 0.00 -0.18 0.06 0.00 -0.00 0.00 0.00 58.65 58.53 3knk h GLN 139 Cb 0.00 -0.07 -0.05 0.00 -0.00 0.00 0.00 27.48 27.36 3knk h GLN 139 CO 0.00 0.70 0.10 -0.22 -0.00 0.00 0.00 178.83 179.41 3knk h LYS 140 N 0.48 0.23 -0.31 0.06 3.64 -1.99 0.36 116.57 119.03 3knk h LYS 140 Ca 0.12 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.57 3knk h LYS 140 Cb 0.38 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3knk h LYS 140 CO 0.01 0.15 0.24 0.28 -2.27 0.00 0.00 179.45 177.86 3knk h VAL 141 N 0.23 0.75 0.07 2.00 2.07 -1.53 -1.02 116.25 118.82 3knk h VAL 141 Ca 0.19 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.45 3knk h VAL 141 Cb 0.21 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3knk h VAL 141 CO -0.23 0.00 -1.37 1.23 0.02 0.00 0.00 177.57 177.22 3knk h GLY 142 N 0.00 0.17 0.33 2.17 0.00 0.14 -3.07 103.07 102.82 3knk h GLY 142 Ca 0.15 -0.43 0.03 0.00 0.00 0.00 0.00 47.33 47.08 3knk h GLY 142 CO -0.00 0.38 -0.30 -1.61 0.00 0.00 0.00 176.54 175.01 3knk h GLN 143 N -0.52 -0.42 -0.00 4.80 5.75 0.00 -0.64 115.11 124.08 3knk h GLN 143 Ca -0.32 0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.23 3knk h GLN 143 Cb 1.60 0.10 -0.03 0.00 1.07 0.00 0.00 27.48 30.22 3knk h GLN 143 CO -0.03 -0.28 -0.12 0.28 -2.65 0.00 0.00 178.83 176.03 3knk h VAL 144 N -0.44 0.70 -0.77 2.39 2.07 -1.37 -1.81 116.25 117.02 3knk h VAL 144 Ca 0.07 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.75 3knk h VAL 144 Cb 0.53 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 3knk h VAL 144 CO -0.26 0.00 0.52 0.00 0.02 0.00 0.00 177.57 177.85 3knk h ALA 145 N 0.77 2.23 0.24 1.67 0.00 -1.38 -2.48 119.26 120.31 3knk h ALA 145 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3knk h ALA 145 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3knk h ALA 145 CO -0.12 -0.45 -0.11 0.00 0.00 0.00 0.00 179.25 178.57 3knk h ALA 146 N 1.64 -0.68 0.00 0.00 0.00 -0.31 -3.13 119.26 116.78 3knk h ALA 146 Ca 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3knk h ALA 146 Cb 1.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3knk h ALA 146 CO -0.11 -0.66 0.31 0.09 0.00 0.00 0.00 179.25 178.88 3knk n ASN 147 N -3.29 0.29 0.05 0.00 5.03 -0.85 -0.68 115.26 115.81 3knk n ASN 147 Ca -0.04 0.52 -0.19 0.00 0.87 0.00 0.00 54.58 55.74 3knk n ASN 147 Cb 0.13 -0.46 -0.14 0.00 -1.02 0.00 0.00 39.78 38.28 3knk n ASN 147 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 3knk h ILE 148 N 0.00 0.97 0.00 2.41 1.08 -1.46 -3.16 117.51 117.35 3knk h ILE 148 Ca 0.00 -2.62 0.00 0.00 -0.39 0.00 0.00 64.86 61.85 3knk h ILE 148 Cb 0.62 2.69 0.00 0.00 -3.07 0.00 0.00 36.82 37.05 3knk h ILE 148 CO 0.00 0.82 0.00 -0.09 -0.69 0.00 0.00 178.15 178.19 3knk h ARG 149 N 0.08 0.00 -0.57 2.37 2.43 -0.85 -3.21 114.38 114.63 3knk h ARG 149 Ca -0.31 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 58.94 3knk h ARG 149 Cb 2.05 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 31.53 3knk h ARG 149 CO 0.15 0.00 0.23 0.00 -1.51 0.00 0.00 179.97 178.83 3knk h ALA 150 N 2.09 0.72 0.00 2.80 0.00 -1.21 -2.45 119.26 121.21 3knk h ALA 150 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3knk h ALA 150 Cb 0.63 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3knk h ALA 150 CO 0.00 -0.17 0.00 -0.89 0.00 0.00 0.00 179.25 178.19 3knk n ILE 151 N -4.97 0.00 -3.64 0.00 2.08 -1.21 -4.31 119.36 107.31 3knk n ILE 151 Ca 0.07 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.31 3knk n ILE 151 Cb 0.23 -0.97 -0.07 0.00 -0.75 0.00 0.00 39.64 38.08 3knk n ILE 151 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3knk s ARG 152 N -1.50 0.54 -0.01 0.38 1.81 -0.92 -5.02 118.95 114.22 3knk s ARG 152 Ca 0.00 0.81 -0.20 0.00 -1.72 0.00 0.00 55.73 54.62 3knk s ARG 152 Cb 0.00 0.18 -0.05 0.00 -0.45 0.00 0.00 34.95 34.62 3knk s ARG 152 CO 0.00 -0.09 0.56 -1.59 -0.68 0.00 0.00 175.30 173.50 3knk s LYS 153 N 0.98 4.27 0.00 3.54 0.00 -1.26 -4.38 119.74 122.89 3knk s LYS 153 Ca -0.05 0.66 0.00 0.00 0.00 0.00 0.00 55.97 56.59 3knk s LYS 153 Cb -0.04 -3.33 0.00 0.00 0.00 0.00 0.00 37.83 34.45 3knk s LYS 153 CO -0.12 0.39 0.80 -2.30 0.00 0.00 0.00 175.35 174.12 3knk n PRO 154 N 2.68 0.00 -0.26 1.78 -0.02 -1.26 -4.42 135.00 133.50 3knk n PRO 154 Ca -0.08 0.56 -0.01 0.00 -2.02 0.00 0.00 63.50 61.95 3knk n PRO 154 Cb 0.51 -1.30 0.01 0.00 -0.02 0.00 0.00 33.50 32.70 3knk n PRO 154 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3knk n SER 155 N -1.81 -0.86 0.00 2.55 2.88 -1.26 -3.98 113.62 111.14 3knk n SER 155 Ca 0.00 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 3knk n SER 155 Cb 0.00 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 3knk n SER 155 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3knk n ALA 156 N -1.28 0.00 -1.30 -1.46 0.00 -1.26 -4.58 120.51 110.63 3knk n ALA 156 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 3knk n ALA 156 Cb 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.42 3knk n ALA 156 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3knk n TYR 157 N 0.00 0.00 0.00 0.00 4.19 -1.26 -4.57 117.16 115.52 3knk n TYR 157 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 3knk n TYR 157 Cb 0.00 -2.55 0.00 0.00 0.49 0.00 0.00 39.34 37.28 3knk n TYR 157 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 3knk n HIS 158 N -2.29 0.00 0.00 2.98 8.25 -1.26 -5.03 115.22 117.86 3knk n HIS 158 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 3knk n HIS 158 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 3knk n HIS 158 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 3knk n GLU 159 N 2.28 0.00 0.00 -0.41 4.07 -1.26 -5.06 120.64 120.26 3knk n GLU 159 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3knk n GLU 159 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3knk n GLU 159 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3knk n LYS 160 N 0.00 0.00 -0.99 5.31 5.02 -1.26 -4.37 118.16 121.87 3knk n LYS 160 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 3knk n LYS 160 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 3knk n LYS 160 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knk n GLY 161 N 3.29 -2.77 3.91 0.72 0.00 -1.26 -4.52 105.19 104.56 3knk n GLY 161 Ca 0.00 -1.20 -0.28 0.00 0.00 0.00 0.00 46.02 44.54 3knk n GLY 161 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3knk s ILE 162 N -3.35 5.14 0.25 -0.61 1.01 -1.26 -4.32 121.20 118.05 3knk s ILE 162 Ca 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.50 3knk s ILE 162 Cb 0.00 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 3knk s ILE 162 CO 0.00 -0.18 0.12 -0.31 0.00 0.00 0.00 174.94 174.56 3knk s TYR 163 N -1.90 1.45 0.00 3.97 1.51 -0.14 -4.40 117.35 117.83 3knk s TYR 163 Ca 0.41 -1.27 0.00 0.00 -1.01 0.00 0.00 57.07 55.20 3knk s TYR 163 Cb -0.11 -0.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.94 3knk s TYR 163 CO 0.28 -0.45 0.00 0.66 -1.11 0.00 0.00 175.55 174.93 3knk n TYR 164 N -0.43 0.00 -0.48 2.71 4.02 -1.26 -1.13 117.16 120.58 3knk n TYR 164 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3knk n TYR 164 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.98 3knk n TYR 164 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3knk n ALA 165 N -3.00 0.94 -1.00 -0.72 0.00 -1.26 -3.86 120.51 111.61 3knk n ALA 165 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3knk n ALA 165 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3knk n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knk n GLY 166 N 0.08 -3.20 2.91 0.00 0.00 -1.26 -5.08 105.19 98.65 3knk n GLY 166 Ca 0.00 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 3knk n GLY 166 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3knk s GLU 167 N -2.68 0.07 -0.88 1.61 8.01 -1.26 -5.09 118.70 118.48 3knk s GLU 167 Ca 0.00 0.26 -0.25 0.00 0.01 0.00 0.00 54.97 54.99 3knk s GLU 167 Cb 0.00 -0.12 -0.06 0.00 -4.31 0.00 0.00 34.13 29.63 3knk s GLU 167 CO 0.00 -0.12 2.03 -1.25 0.01 0.00 0.00 175.26 175.94 3knk s PRO 168 N 0.81 2.37 -0.22 0.39 0.04 -1.26 -4.92 135.00 132.20 3knk s PRO 168 Ca -0.06 -0.14 -0.29 0.00 0.04 0.00 0.00 61.00 60.55 3knk s PRO 168 Cb -0.08 -5.01 -0.04 0.00 0.04 0.00 0.00 34.50 29.41 3knk s PRO 168 CO -0.03 -3.58 1.85 0.54 0.04 0.00 0.00 177.00 175.81 3knk s VAL 169 N 10.98 3.40 0.06 -0.36 0.11 -1.26 -4.87 120.40 128.46 3knk s VAL 169 Ca 0.74 0.43 0.00 0.00 -2.93 0.00 0.00 61.98 60.23 3knk s VAL 169 Cb -0.08 -3.45 0.09 0.00 -1.53 0.00 0.00 36.38 31.40 3knk s VAL 169 CO 0.01 -0.23 0.32 -2.11 -3.33 0.00 0.00 175.10 169.75 3knk n ARG 170 N 8.13 -0.02 0.00 1.54 0.00 -1.26 -5.06 116.66 119.99 3knk n ARG 170 Ca 0.23 0.30 0.00 0.00 -0.00 0.00 0.00 57.85 58.38 3knk n ARG 170 Cb 0.45 -0.48 0.00 0.00 -0.00 0.00 0.00 32.46 32.43 3knk n ARG 170 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91