#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm s ILE 2 N 0.00 2.62 -0.20 3.17 -0.00 0.99 -4.77 121.20 122.99 3knm s ILE 2 Ca 0.00 -0.51 -0.28 0.00 -0.00 0.00 0.00 60.65 59.86 3knm s ILE 2 Cb 0.00 -3.03 0.13 0.00 -0.00 0.00 0.00 42.46 39.56 3knm s ILE 2 CO 0.00 -0.03 1.04 0.00 -0.00 0.00 0.00 174.94 175.95 3knm s GLN 3 N -4.92 0.52 0.04 0.37 -2.07 -1.26 -0.76 119.66 111.58 3knm s GLN 3 Ca 0.58 0.26 -0.26 0.00 -1.82 0.00 0.00 55.36 54.12 3knm s GLN 3 Cb -0.10 0.25 -0.14 0.00 -1.09 0.00 0.00 33.01 31.93 3knm s GLN 3 CO 0.41 -0.14 0.65 -0.35 -1.32 0.00 0.00 175.29 174.54 3knm n PRO 4 N 1.16 0.00 -0.40 9.60 -0.04 -1.26 -1.22 135.00 142.84 3knm n PRO 4 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 3knm n PRO 4 Cb 0.57 -0.97 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 3knm n PRO 4 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3knm n GLN 5 N 0.97 0.00 -3.12 0.54 -0.06 -0.38 -4.98 117.38 110.35 3knm n GLN 5 Ca 0.14 0.00 -0.29 0.00 -2.00 0.00 0.00 57.00 54.85 3knm n GLN 5 Cb 0.09 -1.08 -0.03 0.00 -4.06 0.00 0.00 30.24 25.16 3knm n GLN 5 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3knm s THR 6 N -2.49 4.92 -0.16 1.69 2.01 -0.35 -4.81 115.64 116.45 3knm s THR 6 Ca 0.00 0.29 -0.03 0.00 0.31 0.00 0.00 61.69 62.26 3knm s THR 6 Cb 0.00 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 3knm s THR 6 CO 0.00 -0.42 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.15 3knm s TYR 7 N -2.22 2.98 0.01 4.92 1.51 -1.26 -0.41 117.35 122.89 3knm s TYR 7 Ca 0.47 -0.44 0.05 0.00 -1.01 0.00 0.00 57.07 56.15 3knm s TYR 7 Cb -0.10 -1.97 -0.03 0.00 -0.11 0.00 0.00 41.96 39.75 3knm s TYR 7 CO 0.31 -0.14 -0.14 -0.51 -1.11 0.00 0.00 175.55 173.96 3knm s LEU 8 N 0.54 2.81 0.39 -1.29 2.01 0.11 -4.77 118.68 118.48 3knm s LEU 8 Ca -0.04 -0.30 -0.20 0.00 0.01 0.00 0.00 54.13 53.61 3knm s LEU 8 Cb -0.15 -1.63 -0.10 0.00 0.01 0.00 0.00 46.19 44.32 3knm s LEU 8 CO 0.03 0.28 0.89 -0.70 1.01 0.00 0.00 176.35 177.85 3knm s GLU 9 N -1.33 4.21 -0.29 1.70 2.56 0.45 -1.98 118.70 124.03 3knm s GLU 9 Ca 0.15 1.02 -0.05 0.00 0.00 0.00 0.00 54.97 56.10 3knm s GLU 9 Cb -0.11 -2.33 0.02 0.00 2.00 0.00 0.00 34.13 33.71 3knm s GLU 9 CO 0.05 0.06 0.03 0.54 -0.56 0.00 0.00 175.26 175.39 3knm s VAL 10 N -2.05 3.50 -1.02 3.70 0.11 -1.26 0.31 120.40 123.70 3knm s VAL 10 Ca 0.58 -0.92 -0.16 0.00 -2.93 0.00 0.00 61.98 58.54 3knm s VAL 10 Cb -0.11 -2.84 0.16 0.00 -1.53 0.00 0.00 36.38 32.06 3knm s VAL 10 CO 0.15 0.06 1.20 0.00 -3.33 0.00 0.00 175.10 173.19 3knm s ALA 11 N 1.41 3.68 0.00 1.54 0.00 -0.59 -4.84 121.76 122.96 3knm s ALA 11 Ca 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 51.96 48.92 3knm s ALA 11 Cb -0.18 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 18.93 3knm s ALA 11 CO -0.00 -2.83 0.00 -0.40 0.00 0.00 0.00 175.76 172.53 3knm n ASP 12 N 5.91 0.00 -1.50 0.00 3.85 -1.26 -3.44 116.55 120.10 3knm n ASP 12 Ca 0.27 0.00 -0.02 0.00 -0.71 0.00 0.00 54.79 54.33 3knm n ASP 12 Cb 0.47 0.00 0.20 0.00 -1.35 0.00 0.00 41.12 40.44 3knm n ASP 12 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 3knm n ASN 13 N 0.00 3.77 -0.34 -1.12 6.94 -1.26 -4.38 115.26 118.86 3knm n ASN 13 Ca 0.00 -2.72 0.18 0.00 -0.02 0.00 0.00 54.58 52.03 3knm n ASN 13 Cb 0.00 -0.65 0.40 0.00 -2.36 0.00 0.00 39.78 37.17 3knm n ASN 13 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3knm h THR 14 N 1.82 0.50 0.00 5.53 2.02 -1.90 -3.45 112.91 117.42 3knm h THR 14 Ca 0.14 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3knm h THR 14 Cb 1.67 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3knm h THR 14 CO 0.44 0.10 0.00 0.61 0.37 0.00 0.00 175.52 177.04 3knm n GLY 15 N -1.31 1.74 3.90 2.16 0.00 -1.26 -2.44 105.19 107.97 3knm n GLY 15 Ca 0.28 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.01 3knm n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knm s ALA 16 N -1.90 3.19 0.00 4.61 0.00 -1.26 -1.06 121.76 125.34 3knm s ALA 16 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.49 3knm s ALA 16 Cb 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.34 3knm s ALA 16 CO 0.00 -0.78 0.01 -2.13 0.00 0.00 0.00 175.76 172.85 3knm n ARG 17 N -2.65 1.03 -3.58 0.00 3.00 -0.32 -4.70 116.66 109.43 3knm n ARG 17 Ca 0.05 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.85 57.87 3knm n ARG 17 Cb 0.56 -0.11 -0.06 0.00 0.00 0.00 0.00 32.46 32.86 3knm n ARG 17 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3knm s LYS 18 N -0.15 0.47 0.03 -0.14 2.47 -0.86 -4.18 119.74 117.39 3knm s LYS 18 Ca 0.00 0.96 0.04 0.00 -1.56 0.00 0.00 55.97 55.41 3knm s LYS 18 Cb 0.00 0.34 -0.02 0.00 -1.46 0.00 0.00 37.83 36.69 3knm s LYS 18 CO 0.00 -0.12 -0.12 0.96 0.16 0.00 0.00 175.35 176.22 3knm s ILE 19 N 1.99 0.95 -0.15 5.43 -4.36 -0.84 -0.78 121.20 123.45 3knm s ILE 19 Ca -0.07 -0.89 -0.05 0.00 -0.26 0.00 0.00 60.65 59.38 3knm s ILE 19 Cb -0.06 -0.87 -0.04 0.00 1.25 0.00 0.00 42.46 42.74 3knm s ILE 19 CO -0.17 -0.01 0.02 -0.32 0.24 0.00 0.00 174.94 174.70 3knm s MET 20 N -1.01 3.62 0.27 0.37 -2.45 0.10 -0.71 119.30 119.48 3knm s MET 20 Ca 0.00 -0.40 -0.30 0.00 -1.25 0.00 0.00 55.69 53.75 3knm s MET 20 Cb -0.07 -3.02 -0.11 0.00 1.25 0.00 0.00 34.83 32.88 3knm s MET 20 CO 0.01 0.40 1.52 0.00 1.05 0.00 0.00 175.02 178.00 3knm n ILE 22 N 2.31 1.19 -3.54 0.00 2.08 0.98 -1.25 119.36 121.13 3knm n ILE 22 Ca 0.08 -0.57 -0.13 0.00 0.56 0.00 0.00 62.75 62.69 3knm n ILE 22 Cb 0.39 -0.95 -0.05 0.00 -0.75 0.00 0.00 39.64 38.28 3knm n ILE 22 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3knm s ARG 23 N -2.42 0.82 -0.41 0.38 3.52 -1.03 -4.75 118.95 115.06 3knm s ARG 23 Ca -0.20 0.11 -0.18 0.00 -0.13 0.00 0.00 55.73 55.33 3knm s ARG 23 Cb 0.06 0.38 0.02 0.00 -1.56 0.00 0.00 34.95 33.85 3knm s ARG 23 CO 0.58 -0.27 0.48 0.54 -0.81 0.00 0.00 175.30 175.81 3knm s VAL 24 N -1.49 5.03 0.00 7.11 0.11 -1.26 -1.90 120.40 128.00 3knm s VAL 24 Ca -0.04 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 3knm s VAL 24 Cb -0.00 -4.05 0.00 0.00 -1.53 0.00 0.00 36.38 30.80 3knm s VAL 24 CO 0.03 -0.42 1.03 0.18 -3.33 0.00 0.00 175.10 172.59 3knm n LEU 25 N 5.73 2.76 0.00 2.54 4.77 -1.01 -4.67 117.00 127.12 3knm n LEU 25 Ca -0.06 -1.25 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 3knm n LEU 25 Cb 0.48 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3knm n LEU 25 CO 0.47 0.52 0.00 1.17 -1.33 0.00 0.00 177.39 178.22 3knm n LYS 26 N 1.65 0.00 0.00 3.23 4.81 -1.26 -4.77 118.16 121.81 3knm n LYS 26 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3knm n LYS 26 Cb 0.27 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.32 3knm n LYS 26 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3knm n GLY 27 N 5.00 -3.03 0.19 3.14 0.00 -1.26 -4.88 105.19 104.35 3knm n GLY 27 Ca 0.00 -0.81 0.08 0.00 0.00 0.00 0.00 46.02 45.29 3knm n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3knm n SER 28 N 0.00 2.52 0.00 1.61 3.41 -1.26 -4.59 113.62 115.31 3knm n SER 28 Ca 0.00 -2.84 0.00 0.00 -0.26 0.00 0.00 58.87 55.77 3knm n SER 28 Cb 0.00 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 3knm n SER 28 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3knm n ASN 29 N -1.07 0.00 -4.61 4.04 6.94 -1.26 -5.13 115.26 114.17 3knm n ASN 29 Ca 0.14 0.00 -0.48 0.00 -0.02 0.00 0.00 54.58 54.22 3knm n ASN 29 Cb 0.60 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.98 3knm n ASN 29 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3knm n ALA 30 N 0.00 -0.18 -0.25 -2.53 0.00 -1.26 -4.93 120.51 111.37 3knm n ALA 30 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3knm n ALA 30 Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.34 3knm n ALA 30 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3knm n LYS 31 N 1.97 0.00 -4.12 0.00 4.76 -1.26 -4.87 118.16 114.64 3knm n LYS 31 Ca 0.14 0.38 -0.24 0.00 -2.87 0.00 0.00 58.31 55.72 3knm n LYS 31 Cb 0.26 -1.17 -0.07 0.00 -1.84 0.00 0.00 35.03 32.21 3knm n LYS 31 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3knm s TYR 32 N -1.77 2.61 0.23 2.13 2.02 -1.26 -4.80 117.35 116.51 3knm s TYR 32 Ca 0.00 -0.58 0.11 0.00 -0.37 0.00 0.00 57.07 56.24 3knm s TYR 32 Cb 0.00 -1.95 -0.05 0.00 -0.40 0.00 0.00 41.96 39.57 3knm s TYR 32 CO 0.00 0.19 -0.21 0.00 -1.57 0.00 0.00 175.55 173.95 3knm s ALA 33 N -2.59 2.56 0.08 3.71 0.00 0.06 -4.90 121.76 120.68 3knm s ALA 33 Ca 0.41 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.64 3knm s ALA 33 Cb 0.03 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 3knm s ALA 33 CO 0.23 0.33 0.10 -2.37 0.00 0.00 0.00 175.76 174.05 3knm n THR 34 N -0.14 0.00 -1.69 0.00 5.66 -1.26 -0.01 114.28 116.84 3knm n THR 34 Ca -0.09 -0.47 -0.51 0.00 -3.05 0.00 0.00 64.05 59.93 3knm n THR 34 Cb 0.58 0.26 -0.05 0.00 -1.55 0.00 0.00 70.33 69.57 3knm n THR 34 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3knm n VAL 35 N -0.14 0.46 0.00 1.08 0.31 -1.26 -0.14 118.33 118.64 3knm n VAL 35 Ca 0.01 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3knm n VAL 35 Cb 0.14 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 3knm n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3knm n GLY 36 N 4.25 2.44 3.73 2.92 0.00 -0.51 -4.87 105.19 113.15 3knm n GLY 36 Ca 0.23 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 3knm n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3knm s ASP 37 N 0.15 4.41 0.11 1.61 1.11 0.81 -4.70 116.67 120.17 3knm s ASP 37 Ca 0.00 2.24 0.02 0.00 0.18 0.00 0.00 52.55 54.99 3knm s ASP 37 Cb 0.00 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.38 3knm s ASP 37 CO 0.00 -2.11 0.21 -0.69 1.18 0.00 0.00 175.17 173.75 3knm s VAL 38 N -2.12 5.09 0.12 -1.27 1.01 -1.26 -1.55 120.40 120.43 3knm s VAL 38 Ca 0.72 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 3knm s VAL 38 Cb -0.26 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.57 3knm s VAL 38 CO 0.45 0.01 0.28 0.27 0.00 0.00 0.00 175.10 176.11 3knm s ILE 39 N -1.61 0.10 -0.10 2.22 -4.36 0.42 -2.40 121.20 115.45 3knm s ILE 39 Ca 0.33 -1.08 -0.02 0.00 -0.26 0.00 0.00 60.65 59.62 3knm s ILE 39 Cb -0.12 -1.45 -0.03 0.00 1.25 0.00 0.00 42.46 42.11 3knm s ILE 39 CO 0.27 -0.45 -0.00 -0.69 0.24 0.00 0.00 174.94 174.31 3knm s VAL 40 N -3.88 4.27 0.14 8.37 1.01 -0.80 -0.95 120.40 128.57 3knm s VAL 40 Ca 0.08 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 3knm s VAL 40 Cb 0.03 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 3knm s VAL 40 CO -0.08 0.58 0.25 0.00 0.00 0.00 0.00 175.10 175.85 3knm s ALA 41 N -0.59 -0.07 -0.09 5.51 0.00 0.55 -0.02 121.76 127.05 3knm s ALA 41 Ca 0.10 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 3knm s ALA 41 Cb -0.12 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.70 3knm s ALA 41 CO 0.02 -0.60 -0.04 0.45 0.00 0.00 0.00 175.76 175.59 3knm s SER 42 N -2.93 4.85 -0.13 0.00 0.15 0.10 -0.63 113.70 115.11 3knm s SER 42 Ca 0.13 0.00 -0.29 0.00 0.70 0.00 0.00 55.95 56.48 3knm s SER 42 Cb 0.04 -1.40 -0.01 0.00 -1.71 0.00 0.00 66.02 62.94 3knm s SER 42 CO -0.04 0.32 1.14 -0.69 1.20 0.00 0.00 173.24 175.17 3knm s VAL 43 N -0.56 4.47 -0.13 4.45 1.01 -0.70 0.01 120.40 128.95 3knm s VAL 43 Ca 0.09 1.77 0.18 0.00 0.00 0.00 0.00 61.98 64.02 3knm s VAL 43 Cb -0.12 -4.14 -0.22 0.00 0.00 0.00 0.00 36.38 31.90 3knm s VAL 43 CO 0.02 -0.07 0.50 0.29 0.00 0.00 0.00 175.10 175.84 3knm n LYS 44 N 5.72 0.65 -3.64 2.72 4.76 0.04 -1.92 118.16 126.48 3knm n LYS 44 Ca 0.11 0.06 -0.14 0.00 -2.87 0.00 0.00 58.31 55.47 3knm n LYS 44 Cb 0.46 -1.65 -0.08 0.00 -1.84 0.00 0.00 35.03 31.93 3knm n LYS 44 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3knm s GLU 45 N -2.91 0.78 0.02 1.97 -1.05 -0.88 -4.91 118.70 111.72 3knm s GLU 45 Ca -0.06 0.72 -0.23 0.00 -0.15 0.00 0.00 54.97 55.24 3knm s GLU 45 Cb 0.09 0.38 0.05 0.00 -0.44 0.00 0.00 34.13 34.21 3knm s GLU 45 CO 0.84 -0.13 0.52 0.00 0.95 0.00 0.00 175.26 177.44 3knm s ALA 46 N -0.00 -1.34 0.19 -0.84 0.00 -1.26 -1.17 121.76 117.33 3knm s ALA 46 Ca -0.02 0.71 -0.31 0.00 0.00 0.00 0.00 51.96 52.33 3knm s ALA 46 Cb -0.04 0.26 -0.10 0.00 0.00 0.00 0.00 23.12 23.25 3knm s ALA 46 CO 0.03 -0.44 1.52 0.42 0.00 0.00 0.00 175.76 177.28 3knm s ILE 47 N -2.04 2.68 0.00 0.00 1.09 -0.22 -4.89 121.20 117.82 3knm s ILE 47 Ca -0.08 0.51 0.00 0.00 -1.10 0.00 0.00 60.65 59.98 3knm s ILE 47 Cb -0.01 -3.33 0.00 0.00 -1.06 0.00 0.00 42.46 38.06 3knm s ILE 47 CO 0.02 0.05 0.00 -2.65 -0.10 0.00 0.00 174.94 172.26 3knm n PRO 48 N 3.45 0.00 -3.10 2.79 -0.02 -1.26 -2.81 135.00 134.05 3knm n PRO 48 Ca 0.11 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.28 3knm n PRO 48 Cb 0.39 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.83 3knm n PRO 48 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3knm n ARG 49 N -0.16 3.50 -1.94 -0.52 0.00 -1.26 -5.04 116.66 111.24 3knm n ARG 49 Ca 0.00 -4.71 -0.20 0.00 -0.00 0.00 0.00 57.85 52.94 3knm n ARG 49 Cb 0.00 -2.33 0.11 0.00 -0.00 0.00 0.00 32.46 30.24 3knm n ARG 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3knm n GLY 50 N 0.50 0.02 0.24 2.89 0.00 -1.12 -4.98 105.19 102.73 3knm n GLY 50 Ca 0.32 -1.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.28 3knm n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knm h ALA 51 N -0.97 0.50 -3.04 4.61 0.00 -1.80 -3.44 119.26 115.12 3knm h ALA 51 Ca -0.28 -0.53 -0.64 0.00 0.00 0.00 0.00 54.91 53.46 3knm h ALA 51 Cb 0.95 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 3knm h ALA 51 CO 0.27 0.69 -0.55 0.54 0.00 0.00 0.00 179.25 180.19 3knm s VAL 52 N -4.05 4.92 0.43 0.00 0.11 -1.25 -5.10 120.40 115.47 3knm s VAL 52 Ca -0.10 -0.46 0.05 0.00 -2.93 0.00 0.00 61.98 58.54 3knm s VAL 52 Cb 0.10 -3.32 -0.06 0.00 -1.53 0.00 0.00 36.38 31.57 3knm s VAL 52 CO 0.88 0.24 0.01 -0.54 -3.33 0.00 0.00 175.10 172.37 3knm s LYS 53 N -2.10 2.01 -0.28 1.54 3.01 -1.26 -4.60 119.74 118.06 3knm s LYS 53 Ca 0.28 -2.18 -0.28 0.00 -1.01 0.00 0.00 55.97 52.77 3knm s LYS 53 Cb -0.12 -1.58 -0.03 0.00 -1.01 0.00 0.00 37.83 35.09 3knm s LYS 53 CO 0.20 -0.14 1.84 -1.21 0.51 0.00 0.00 175.35 176.55 3knm s GLU 54 N -3.76 3.40 0.00 1.68 2.02 -1.26 -2.71 118.70 118.07 3knm s GLU 54 Ca 0.27 1.60 0.00 0.00 0.02 0.00 0.00 54.97 56.86 3knm s GLU 54 Cb 0.08 -4.20 0.00 0.00 0.10 0.00 0.00 34.13 30.11 3knm s GLU 54 CO 0.14 -1.78 0.00 0.41 0.02 0.00 0.00 175.26 174.05 3knm n GLY 55 N 5.33 1.51 3.88 -1.39 0.00 -0.81 -5.00 105.19 108.71 3knm n GLY 55 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 3knm n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3knm s ASP 56 N -2.00 6.58 -0.45 1.61 -0.00 -1.10 -4.87 116.67 116.44 3knm s ASP 56 Ca 0.00 0.75 -0.13 0.00 -0.00 0.00 0.00 52.55 53.16 3knm s ASP 56 Cb 0.00 -2.16 0.07 0.00 -0.00 0.00 0.00 42.92 40.84 3knm s ASP 56 CO 0.00 0.06 0.35 -0.69 -0.00 0.00 0.00 175.17 174.89 3knm s VAL 57 N -1.60 4.92 0.34 -1.27 1.01 -1.26 -1.71 120.40 120.83 3knm s VAL 57 Ca 0.40 -1.14 0.08 0.00 0.00 0.00 0.00 61.98 61.32 3knm s VAL 57 Cb -0.13 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 3knm s VAL 57 CO 0.21 -0.54 0.13 0.68 0.00 0.00 0.00 175.10 175.59 3knm s VAL 58 N 1.58 2.93 0.07 2.92 -7.23 0.20 -4.90 120.40 115.96 3knm s VAL 58 Ca 0.04 -1.73 0.02 0.00 -1.81 0.00 0.00 61.98 58.49 3knm s VAL 58 Cb -0.24 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.71 3knm s VAL 58 CO 0.05 -0.17 0.13 -0.54 -0.31 0.00 0.00 175.10 174.27 3knm s LYS 59 N -3.83 3.13 0.10 4.82 1.02 -1.26 -0.33 119.74 123.38 3knm s LYS 59 Ca 0.38 -0.57 -0.16 0.00 0.02 0.00 0.00 55.97 55.63 3knm s LYS 59 Cb -0.02 -2.87 0.03 0.00 -0.52 0.00 0.00 37.83 34.46 3knm s LYS 59 CO 0.22 0.59 0.39 0.00 -0.92 0.00 0.00 175.35 175.63 3knm s ALA 60 N -1.43 -0.90 -0.09 5.17 0.00 -0.12 -0.29 121.76 124.10 3knm s ALA 60 Ca 0.31 -0.00 0.01 0.00 0.00 0.00 0.00 51.96 52.28 3knm s ALA 60 Cb -0.13 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 3knm s ALA 60 CO 0.24 -0.59 -0.11 0.54 0.00 0.00 0.00 175.76 175.84 3knm s VAL 61 N -3.50 3.27 0.05 0.00 0.11 0.04 -0.44 120.40 119.94 3knm s VAL 61 Ca 0.01 -0.62 -0.31 0.00 -2.93 0.00 0.00 61.98 58.14 3knm s VAL 61 Cb 0.01 -2.34 -0.06 0.00 -1.53 0.00 0.00 36.38 32.47 3knm s VAL 61 CO -0.10 0.56 1.25 -0.69 -3.33 0.00 0.00 175.10 172.80 3knm s VAL 62 N -0.34 3.92 -0.02 2.04 1.01 -0.59 -1.12 120.40 125.30 3knm s VAL 62 Ca 0.04 1.36 0.03 0.00 0.00 0.00 0.00 61.98 63.41 3knm s VAL 62 Cb -0.13 -3.87 0.05 0.00 0.00 0.00 0.00 36.38 32.43 3knm s VAL 62 CO 0.02 0.08 0.91 1.33 0.00 0.00 0.00 175.10 177.45 3knm n VAL 63 N 4.10 0.85 -3.65 2.92 0.24 -0.63 -1.43 118.33 120.74 3knm n VAL 63 Ca 0.10 -0.92 -0.00 0.00 -2.04 0.00 0.00 64.34 61.48 3knm n VAL 63 Cb 0.45 0.49 -0.06 0.00 -1.47 0.00 0.00 33.84 33.25 3knm n VAL 63 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3knm s ARG 64 N -1.02 0.17 0.21 7.34 3.52 -0.94 -3.68 118.95 124.55 3knm s ARG 64 Ca 0.05 0.28 0.05 0.00 -0.13 0.00 0.00 55.73 55.99 3knm s ARG 64 Cb 0.05 0.04 -0.05 0.00 -1.56 0.00 0.00 34.95 33.43 3knm s ARG 64 CO 0.01 -0.03 -0.07 0.95 -0.81 0.00 0.00 175.30 175.34 3knm s THR 65 N 0.98 1.35 -0.16 4.11 -4.23 -1.24 -1.02 115.64 115.43 3knm s THR 65 Ca -0.06 -2.10 0.10 0.00 -1.18 0.00 0.00 61.69 58.45 3knm s THR 65 Cb -0.03 -2.18 -0.23 0.00 1.34 0.00 0.00 72.50 71.40 3knm s THR 65 CO -0.12 -0.48 0.19 1.17 -0.54 0.00 0.00 174.62 174.84 3knm n LYS 66 N -0.39 0.68 -2.41 3.99 3.00 -1.26 -1.75 118.16 120.01 3knm n LYS 66 Ca -0.07 0.14 -0.43 0.00 -0.00 0.00 0.00 58.31 57.95 3knm n LYS 66 Cb 0.62 -1.61 -0.02 0.00 0.00 0.00 0.00 35.03 34.01 3knm n LYS 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3knm s LYS 67 N -2.53 4.26 0.83 1.64 2.47 -1.26 -4.68 119.74 120.46 3knm s LYS 67 Ca -0.16 1.69 -0.13 0.00 -1.56 0.00 0.00 55.97 55.81 3knm s LYS 67 Cb 0.07 -3.71 0.07 0.00 -1.46 0.00 0.00 37.83 32.80 3knm s LYS 67 CO 0.77 -0.64 1.00 -0.85 0.16 0.00 0.00 175.35 175.79 3knm n GLU 68 N 6.24 0.06 -4.99 4.03 0.00 -1.26 -4.34 120.64 120.37 3knm n GLU 68 Ca 0.13 0.09 -0.32 0.00 0.00 0.00 0.00 57.16 57.06 3knm n GLU 68 Cb 0.45 -2.28 -0.14 0.00 0.00 0.00 0.00 31.44 29.47 3knm n GLU 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3knm s ILE 69 N -2.19 2.74 -0.37 3.84 1.01 0.73 -4.97 121.20 121.99 3knm s ILE 69 Ca 0.69 -0.82 -0.13 0.00 0.00 0.00 0.00 60.65 60.39 3knm s ILE 69 Cb -0.28 -2.07 0.01 0.00 0.01 0.00 0.00 42.46 40.13 3knm s ILE 69 CO 0.55 0.57 0.26 -0.54 0.00 0.00 0.00 174.94 175.77 3knm s LYS 70 N -0.36 3.15 0.39 2.79 1.02 -1.26 -1.65 119.74 123.82 3knm s LYS 70 Ca 0.03 -0.88 -0.25 0.00 0.02 0.00 0.00 55.97 54.88 3knm s LYS 70 Cb -0.12 -3.86 -0.09 0.00 -0.52 0.00 0.00 37.83 33.24 3knm s LYS 70 CO 0.02 -0.62 1.12 1.03 -0.92 0.00 0.00 175.35 175.98 3knm s ARG 71 N 1.67 4.15 0.00 1.68 1.81 -0.20 -4.87 118.95 123.19 3knm s ARG 71 Ca 0.05 1.72 0.03 0.00 -1.72 0.00 0.00 55.73 55.81 3knm s ARG 71 Cb -0.18 -2.68 0.16 0.00 -0.45 0.00 0.00 34.95 31.79 3knm s ARG 71 CO 0.09 -0.20 0.85 -0.35 -0.68 0.00 0.00 175.30 175.01 3knm n PRO 72 N 0.14 0.06 -0.48 3.54 -0.04 -1.26 -1.10 135.00 135.86 3knm n PRO 72 Ca 0.04 0.19 0.06 0.00 -0.04 0.00 0.00 63.50 63.75 3knm n PRO 72 Cb 0.47 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.68 3knm n PRO 72 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3knm n ASP 73 N -1.21 3.62 0.00 3.54 5.68 -1.26 -4.89 116.55 122.02 3knm n ASP 73 Ca 0.02 -2.40 0.00 0.00 -0.50 0.00 0.00 54.79 51.90 3knm n ASP 73 Cb 0.02 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.48 3knm n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3knm n GLY 74 N 0.72 2.39 3.88 6.12 0.00 -0.25 -4.98 105.19 113.05 3knm n GLY 74 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 3knm n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3knm n SER 75 N 0.00 0.98 -3.78 1.61 3.41 -1.24 -4.89 113.62 109.70 3knm n SER 75 Ca 0.00 -1.94 -0.10 0.00 -0.26 0.00 0.00 58.87 56.56 3knm n SER 75 Cb 0.00 -0.76 -0.07 0.00 -0.26 0.00 0.00 64.21 63.12 3knm n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3knm s ALA 76 N -3.42 -0.54 0.02 7.33 0.00 -1.26 -1.03 121.76 122.86 3knm s ALA 76 Ca 0.69 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.44 3knm s ALA 76 Cb -0.03 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 3knm s ALA 76 CO 0.47 -0.46 -0.03 -1.50 0.00 0.00 0.00 175.76 174.24 3knm s ILE 77 N -3.04 0.16 -0.29 0.00 1.10 -0.66 -4.96 121.20 113.51 3knm s ILE 77 Ca -0.02 -0.63 -0.15 0.00 -0.51 0.00 0.00 60.65 59.35 3knm s ILE 77 Cb 0.01 -0.24 0.12 0.00 0.15 0.00 0.00 42.46 42.50 3knm s ILE 77 CO -0.06 -0.30 0.82 0.00 -2.11 0.00 0.00 174.94 173.29 3knm s ARG 78 N -0.97 0.52 0.00 3.50 1.70 -1.26 -0.19 118.95 122.25 3knm s ARG 78 Ca -0.09 1.00 0.00 0.00 -0.47 0.00 0.00 55.73 56.17 3knm s ARG 78 Cb -0.07 0.28 0.00 0.00 -0.57 0.00 0.00 34.95 34.59 3knm s ARG 78 CO -0.00 -0.13 0.00 1.19 -1.08 0.00 0.00 175.30 175.28 3knm n PHE 79 N 4.38 0.00 -0.05 5.89 3.01 -0.72 -5.02 117.46 124.95 3knm n PHE 79 Ca -0.17 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.24 3knm n PHE 79 Cb 0.56 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.96 3knm n PHE 79 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3knm n ASP 80 N 0.00 2.84 -4.57 4.37 8.00 -1.26 -4.49 116.55 121.43 3knm n ASP 80 Ca 0.00 -0.02 -0.32 0.00 0.71 0.00 0.00 54.79 55.16 3knm n ASP 80 Cb 0.00 0.44 -0.11 0.00 -0.02 0.00 0.00 41.12 41.43 3knm n ASP 80 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 3knm s ASP 81 N -4.46 4.51 -0.69 -2.24 3.84 -1.26 -4.68 116.67 111.69 3knm s ASP 81 Ca -0.08 -0.15 -0.24 0.00 -0.00 0.00 0.00 52.55 52.08 3knm s ASP 81 Cb 0.03 -1.04 0.06 0.00 -1.38 0.00 0.00 42.92 40.59 3knm s ASP 81 CO 0.34 0.30 1.08 0.20 -0.00 0.00 0.00 175.17 177.09 3knm s ASN 82 N -1.24 6.17 0.17 2.11 0.02 -1.26 -3.73 114.94 117.18 3knm s ASN 82 Ca 0.15 -0.79 0.09 0.00 -1.02 0.00 0.00 52.86 51.30 3knm s ASN 82 Cb -0.11 -2.47 -0.04 0.00 0.02 0.00 0.00 41.25 38.65 3knm s ASN 82 CO 0.06 -1.58 -0.15 0.00 0.02 0.00 0.00 177.10 175.45 3knm s ALA 83 N 4.67 2.80 0.14 0.60 0.00 -0.19 -0.41 121.76 129.36 3knm s ALA 83 Ca 0.27 -1.49 -0.11 0.00 0.00 0.00 0.00 51.96 50.63 3knm s ALA 83 Cb -0.14 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.36 3knm s ALA 83 CO 0.12 0.49 0.31 0.00 0.00 0.00 0.00 175.76 176.68 3knm s ALA 84 N -1.58 -0.34 -0.12 0.00 0.00 0.15 -1.61 121.76 118.26 3knm s ALA 84 Ca 0.22 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 51.61 3knm s ALA 84 Cb -0.09 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 3knm s ALA 84 CO 0.13 -0.63 -0.18 0.08 0.00 0.00 0.00 175.76 175.15 3knm s VAL 85 N -3.90 2.56 0.84 0.00 1.01 -0.28 -1.55 120.40 119.09 3knm s VAL 85 Ca 0.11 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 3knm s VAL 85 Cb 0.03 -2.04 0.10 0.00 0.00 0.00 0.00 36.38 34.48 3knm s VAL 85 CO -0.05 0.54 1.17 -0.63 0.00 0.00 0.00 175.10 176.13 3knm s ILE 86 N 0.40 2.18 0.07 2.22 1.09 -1.26 -0.78 121.20 125.13 3knm s ILE 86 Ca -0.14 0.07 -0.02 0.00 -1.10 0.00 0.00 60.65 59.46 3knm s ILE 86 Cb -0.17 -2.33 -0.04 0.00 -1.06 0.00 0.00 42.46 38.87 3knm s ILE 86 CO 0.06 -0.07 0.01 -0.63 -0.10 0.00 0.00 174.94 174.22 3knm s ILE 87 N -2.40 0.19 0.21 2.92 -1.09 0.61 -3.61 121.20 118.02 3knm s ILE 87 Ca 0.70 -1.75 0.08 0.00 -2.23 0.00 0.00 60.65 57.45 3knm s ILE 87 Cb -0.25 -1.59 -0.04 0.00 -1.58 0.00 0.00 42.46 39.00 3knm s ILE 87 CO 0.53 -0.87 0.04 0.54 -1.23 0.00 0.00 174.94 173.96 3knm s ASN 88 N -2.93 4.88 0.45 3.58 4.22 0.63 -4.30 114.94 121.47 3knm s ASN 88 Ca 0.10 -0.42 0.24 0.00 -2.14 0.00 0.00 52.86 50.63 3knm s ASN 88 Cb 0.07 -1.06 1.24 0.00 1.28 0.00 0.00 41.25 42.78 3knm s ASN 88 CO -0.08 0.04 1.81 0.78 -2.04 0.00 0.00 177.10 177.61 3knm h ASN 89 N 2.28 0.29 -0.10 3.54 4.21 -1.99 0.25 115.58 124.06 3knm h ASN 89 Ca -0.47 0.05 0.00 0.00 1.21 0.00 0.00 56.30 57.09 3knm h ASN 89 Cb 1.22 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 3knm h ASN 89 CO 0.59 0.07 0.00 0.00 -1.29 0.00 0.00 177.43 176.81 3knm n GLN 90 N -4.47 1.22 -0.01 0.81 3.00 -1.26 -4.89 117.38 111.78 3knm n GLN 90 Ca 0.23 -0.35 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 3knm n GLN 90 Cb 0.93 -1.08 0.00 0.00 0.00 0.00 0.00 30.24 30.09 3knm n GLN 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3knm n LEU 91 N -0.22 0.00 -4.80 1.08 7.99 0.88 -5.07 117.00 116.86 3knm n LEU 91 Ca 0.03 0.00 -0.33 0.00 -0.01 0.00 0.00 56.01 55.71 3knm n LEU 91 Cb 0.08 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.40 3knm n LEU 91 CO 0.02 0.00 0.72 -1.61 -1.51 0.00 0.00 177.39 175.01 3knm s GLU 92 N -0.47 3.32 0.14 3.23 2.02 -1.25 -4.67 118.70 121.01 3knm s GLU 92 Ca 0.00 1.20 -0.25 0.00 0.02 0.00 0.00 54.97 55.94 3knm s GLU 92 Cb 0.00 -2.03 -0.08 0.00 0.10 0.00 0.00 34.13 32.12 3knm s GLU 92 CO 0.00 -0.81 0.75 -1.25 0.02 0.00 0.00 175.26 173.98 3knm s PRO 93 N -4.09 4.52 0.43 0.39 0.04 -1.26 -0.27 135.00 134.76 3knm s PRO 93 Ca 0.63 1.10 0.20 0.00 0.04 0.00 0.00 61.00 62.97 3knm s PRO 93 Cb -0.16 -3.27 0.95 0.00 0.04 0.00 0.00 34.50 32.06 3knm s PRO 93 CO 0.37 0.54 1.88 0.00 0.04 0.00 0.00 177.00 179.83 3knm h ARG 94 N 4.51 0.00 -7.26 4.56 3.08 -1.85 -3.43 114.38 113.99 3knm h ARG 94 Ca -0.47 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.08 3knm h ARG 94 Cb 1.21 0.00 0.05 0.00 0.08 0.00 0.00 29.97 31.31 3knm h ARG 94 CO 0.66 0.28 0.36 0.20 -1.07 0.00 0.00 179.97 180.40 3knm s GLY 95 N -4.28 1.66 -0.00 0.04 0.00 -1.26 -4.91 107.32 98.56 3knm s GLY 95 Ca -0.02 -0.15 0.20 0.00 0.00 0.00 0.00 44.72 44.76 3knm s GLY 95 CO 0.66 0.10 0.81 -1.30 0.00 0.00 0.00 173.10 173.37 3knm n THR 96 N -2.57 0.00 -4.22 0.90 -2.24 -1.26 -4.95 114.28 99.93 3knm n THR 96 Ca 0.05 -0.08 -0.10 0.00 -2.27 0.00 0.00 64.05 61.65 3knm n THR 96 Cb 0.54 0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 69.61 3knm n THR 96 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3knm n ARG 97 N -1.59 1.47 -3.31 -0.78 5.12 -1.26 -5.04 116.66 111.27 3knm n ARG 97 Ca 0.03 -1.14 0.02 0.00 -1.93 0.00 0.00 57.85 54.83 3knm n ARG 97 Cb 0.35 0.36 -0.04 0.00 -1.16 0.00 0.00 32.46 31.98 3knm n ARG 97 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3knm s VAL 98 N -1.66 -0.34 0.28 1.55 0.11 -1.26 -4.32 120.40 114.76 3knm s VAL 98 Ca 0.01 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.11 3knm s VAL 98 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 3knm s VAL 98 CO 0.01 0.00 0.41 -0.36 -3.33 0.00 0.00 175.10 171.83 3knm s PHE 99 N 2.33 3.37 0.16 1.54 0.08 -1.22 -4.38 117.98 119.86 3knm s PHE 99 Ca -0.01 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.01 3knm s PHE 99 Cb -0.04 -1.72 0.00 0.00 -0.57 0.00 0.00 43.02 40.69 3knm s PHE 99 CO -0.17 0.28 0.00 0.41 -0.10 0.00 0.00 175.22 175.65 3knm n GLY 100 N -1.51 -1.77 3.90 4.36 0.00 -1.26 -4.78 105.19 104.13 3knm n GLY 100 Ca -0.06 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 3knm n GLY 100 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3knm s PRO 101 N -1.86 1.97 0.25 1.61 0.02 -1.26 -4.17 135.00 131.55 3knm s PRO 101 Ca 0.00 0.06 0.01 0.00 0.02 0.00 0.00 61.00 61.09 3knm s PRO 101 Cb 0.00 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 3knm s PRO 101 CO 0.00 -1.57 0.13 0.14 -0.33 0.00 0.00 177.00 175.37 3knm s VAL 102 N -3.54 0.30 -0.17 3.83 -7.23 -0.98 -4.88 120.40 107.73 3knm s VAL 102 Ca 0.62 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.71 3knm s VAL 102 Cb -0.11 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 3knm s VAL 102 CO 0.49 0.00 0.11 0.00 -0.31 0.00 0.00 175.10 175.38 3knm s ALA 103 N -3.86 3.64 0.64 1.32 0.00 -1.24 -2.02 121.76 120.24 3knm s ALA 103 Ca 0.38 -0.70 0.23 0.00 0.00 0.00 0.00 51.96 51.87 3knm s ALA 103 Cb 0.07 -2.01 1.20 0.00 0.00 0.00 0.00 23.12 22.38 3knm s ALA 103 CO 0.14 0.32 1.67 0.07 0.00 0.00 0.00 175.76 177.96 3knm h ARG 104 N 6.12 0.00 -1.15 0.00 0.11 -1.64 0.08 114.38 117.90 3knm h ARG 104 Ca -0.44 0.00 0.32 0.00 0.10 0.00 0.00 59.98 59.96 3knm h ARG 104 Cb 1.18 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.18 3knm h ARG 104 CO 0.68 0.00 0.79 0.93 0.10 0.00 0.00 179.97 182.47 3knm h GLU 105 N 0.00 0.16 -0.14 0.08 3.07 -1.93 1.44 114.58 117.27 3knm h GLU 105 Ca 0.09 -0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.98 3knm h GLU 105 Cb 1.26 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.13 3knm h GLU 105 CO -0.00 0.11 0.12 -0.07 -1.40 0.00 0.00 179.01 177.77 3knm h LEU 106 N 0.17 0.00 0.00 1.33 3.38 -1.30 -2.17 115.31 116.72 3knm h LEU 106 Ca 0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.58 3knm h LEU 106 Cb 2.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.76 3knm h LEU 106 CO -0.16 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.23 3knm n ARG 107 N -4.08 0.00 0.00 1.13 0.63 0.49 -0.45 116.66 114.39 3knm n ARG 107 Ca 0.00 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.94 3knm n ARG 107 Cb 0.24 -0.90 0.05 0.00 0.45 0.00 0.00 32.46 32.29 3knm n ARG 107 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 3knm n GLU 108 N -0.51 0.05 -0.36 -0.14 -0.00 -1.23 0.77 120.64 119.22 3knm n GLU 108 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.16 57.28 3knm n GLU 108 Cb 0.00 -1.49 0.32 0.00 -0.00 0.00 0.00 31.44 30.26 3knm n GLU 108 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3knm n LYS 109 N -0.99 2.69 0.00 3.44 4.76 -0.82 -4.96 118.16 122.28 3knm n LYS 109 Ca 0.01 -2.63 0.00 0.00 -2.87 0.00 0.00 58.31 52.82 3knm n LYS 109 Cb 0.01 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 31.63 3knm n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3knm n GLY 110 N 1.66 2.96 3.55 0.72 0.00 0.23 -5.00 105.19 109.32 3knm n GLY 110 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 3knm n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3knm s PHE 111 N -2.16 1.74 0.00 1.61 0.08 0.41 -4.88 117.98 114.78 3knm s PHE 111 Ca 0.00 0.67 0.00 0.00 0.12 0.00 0.00 56.93 57.72 3knm s PHE 111 Cb 0.00 -4.16 0.00 0.00 -0.57 0.00 0.00 43.02 38.29 3knm s PHE 111 CO 0.00 -2.28 0.00 -1.33 -0.10 0.00 0.00 175.22 171.51 3knm n MET 112 N 9.22 0.00 -0.64 0.44 2.81 -1.26 -3.81 117.12 123.88 3knm n MET 112 Ca 0.18 0.10 0.50 0.00 -1.81 0.00 0.00 57.70 56.67 3knm n MET 112 Cb 0.52 -0.46 0.80 0.00 -0.71 0.00 0.00 33.22 33.37 3knm n MET 112 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3knm h LYS 113 N 0.00 0.01 0.14 0.03 1.57 -1.95 0.26 116.57 116.62 3knm h LYS 113 Ca 0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3knm h LYS 113 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3knm h LYS 113 CO 0.00 0.00 -0.07 0.82 -0.57 0.00 0.00 179.45 179.64 3knm h ILE 114 N 0.01 0.00 -0.41 1.86 1.08 -1.94 -2.29 117.51 115.82 3knm h ILE 114 Ca 0.89 -0.03 0.09 0.00 -0.39 0.00 0.00 64.86 65.42 3knm h ILE 114 Cb 3.49 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 37.15 3knm h ILE 114 CO -0.07 0.00 -0.20 0.58 -0.69 0.00 0.00 178.15 177.77 3knm h VAL 115 N -0.21 0.41 -0.39 1.67 2.07 -1.05 -1.52 116.25 117.22 3knm h VAL 115 Ca -0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.58 3knm h VAL 115 Cb 0.14 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.24 3knm h VAL 115 CO 0.03 0.00 -0.10 0.77 0.02 0.00 0.00 177.57 178.29 3knm h SER 116 N -0.12 -0.36 0.06 0.57 4.64 -1.55 -0.75 113.55 116.03 3knm h SER 116 Ca 0.20 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3knm h SER 116 Cb 0.43 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3knm h SER 116 CO -0.49 -0.13 0.00 -0.11 -0.87 0.00 0.00 176.83 175.23 3knm n LEU 117 N -5.30 0.41 -4.88 5.97 0.00 -0.61 -4.76 117.00 107.83 3knm n LEU 117 Ca 0.02 0.68 -0.30 0.00 0.00 0.00 0.00 56.01 56.41 3knm n LEU 117 Cb 0.21 -0.72 0.07 0.00 0.00 0.00 0.00 43.42 42.98 3knm n LEU 117 CO 0.16 -0.79 0.76 0.00 0.00 0.00 0.00 177.39 177.51 3knm s ALA 118 N -3.38 2.73 -0.63 1.96 0.00 -0.29 -4.38 121.76 117.78 3knm s ALA 118 Ca -0.01 -0.43 0.24 0.00 0.00 0.00 0.00 51.96 51.76 3knm s ALA 118 Cb 0.05 -3.01 0.24 0.00 0.00 0.00 0.00 23.12 20.40 3knm s ALA 118 CO 0.16 -1.38 1.22 -0.35 0.00 0.00 0.00 175.76 175.40 3knm n PRO 119 N -3.16 0.29 -3.63 0.00 -0.04 -1.26 -4.95 135.00 122.25 3knm n PRO 119 Ca 0.07 0.05 -0.08 0.00 -0.04 0.00 0.00 63.50 63.50 3knm n PRO 119 Cb 0.58 -1.65 -0.07 0.00 -0.04 0.00 0.00 33.50 32.32 3knm n PRO 119 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3knm s GLU 120 N -3.18 0.45 -0.17 0.54 2.12 -1.26 -5.04 118.70 112.16 3knm s GLU 120 Ca 0.05 0.48 -0.01 0.00 0.36 0.00 0.00 54.97 55.86 3knm s GLU 120 Cb 0.14 0.22 0.04 0.00 0.26 0.00 0.00 34.13 34.79 3knm s GLU 120 CO 0.75 -0.07 -0.05 0.08 -0.54 0.00 0.00 175.26 175.43 3knm s VAL 121 N 0.05 1.08 -0.63 3.70 1.01 -1.26 -2.32 120.40 122.03 3knm s VAL 121 Ca 0.03 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.44 3knm s VAL 121 Cb -0.04 -1.27 0.04 0.00 0.00 0.00 0.00 36.38 35.11 3knm s VAL 121 CO -0.07 0.12 0.66 0.18 0.00 0.00 0.00 175.10 175.99