#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno s ILE 2 N 0.00 3.14 0.21 3.17 -1.09 0.97 -4.89 121.20 122.71 3kno s ILE 2 Ca 0.00 -0.90 -0.14 0.00 -2.23 0.00 0.00 60.65 57.37 3kno s ILE 2 Cb 0.00 -2.30 0.01 0.00 -1.58 0.00 0.00 42.46 38.59 3kno s ILE 2 CO 0.00 0.44 0.46 0.00 -1.23 0.00 0.00 174.94 174.62 3kno s GLN 3 N -1.19 1.40 -0.13 2.79 -2.07 -1.26 0.17 119.66 119.37 3kno s GLN 3 Ca 0.14 -1.06 -0.40 0.00 -1.82 0.00 0.00 55.36 52.22 3kno s GLN 3 Cb -0.11 0.48 -0.17 0.00 -1.09 0.00 0.00 33.01 32.12 3kno s GLN 3 CO 0.04 -0.58 1.46 -0.35 -1.32 0.00 0.00 175.29 174.55 3kno n PRO 4 N -0.33 0.79 0.00 9.60 -0.04 -1.26 -0.99 135.00 142.77 3kno n PRO 4 Ca -0.07 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 3kno n PRO 4 Cb 0.62 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 3kno n PRO 4 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3kno n GLN 5 N 3.50 0.00 -2.58 0.54 -0.06 -0.93 -4.94 117.38 112.89 3kno n GLN 5 Ca 0.23 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.82 3kno n GLN 5 Cb 0.12 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.26 3kno n GLN 5 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3kno s THR 6 N -2.00 4.12 -0.32 1.69 2.01 -0.16 -4.70 115.64 116.29 3kno s THR 6 Ca 0.00 1.77 -0.19 0.00 0.31 0.00 0.00 61.69 63.58 3kno s THR 6 Cb 0.00 -4.13 -0.01 0.00 0.01 0.00 0.00 72.50 68.37 3kno s THR 6 CO 0.00 0.27 0.57 -0.31 -0.69 0.00 0.00 174.62 174.47 3kno s TYR 7 N -0.01 3.20 -0.02 4.92 1.51 -1.25 -1.07 117.35 124.63 3kno s TYR 7 Ca 0.49 0.45 -0.00 0.00 -1.01 0.00 0.00 57.07 57.00 3kno s TYR 7 Cb -0.27 -2.94 -0.04 0.00 -0.11 0.00 0.00 41.96 38.60 3kno s TYR 7 CO 0.32 -0.48 0.04 -0.51 -1.11 0.00 0.00 175.55 173.82 3kno s LEU 8 N 2.51 3.71 0.52 -1.29 2.01 0.24 -4.88 118.68 121.50 3kno s LEU 8 Ca 0.22 0.09 -0.13 0.00 0.01 0.00 0.00 54.13 54.32 3kno s LEU 8 Cb -0.15 -2.10 -0.06 0.00 0.01 0.00 0.00 46.19 43.89 3kno s LEU 8 CO 0.12 0.29 0.94 -0.70 1.01 0.00 0.00 176.35 178.02 3kno s GLU 9 N -1.53 3.80 -0.14 1.70 2.56 -0.91 -0.11 118.70 124.07 3kno s GLU 9 Ca 0.20 0.76 -0.06 0.00 0.00 0.00 0.00 54.97 55.87 3kno s GLU 9 Cb -0.12 -2.18 -0.04 0.00 2.00 0.00 0.00 34.13 33.79 3kno s GLU 9 CO 0.11 -0.30 0.08 0.14 -0.56 0.00 0.00 175.26 174.73 3kno s VAL 10 N -2.73 4.99 -0.69 3.70 -7.23 -1.02 -1.37 120.40 116.06 3kno s VAL 10 Ca 0.56 0.02 0.04 0.00 -1.81 0.00 0.00 61.98 60.79 3kno s VAL 10 Cb -0.10 -3.19 0.33 0.00 0.56 0.00 0.00 36.38 33.98 3kno s VAL 10 CO 0.38 0.55 1.14 0.00 -0.31 0.00 0.00 175.10 176.87 3kno n ALA 11 N 2.61 4.98 -2.00 1.32 0.00 0.51 -4.88 120.51 123.05 3kno n ALA 11 Ca -0.18 -4.69 0.00 0.00 0.00 0.00 0.00 53.44 48.57 3kno n ALA 11 Cb 0.54 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.91 3kno n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kno n ASP 12 N -0.16 0.00 -0.32 0.00 3.85 -1.26 -2.78 116.55 115.88 3kno n ASP 12 Ca 0.34 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.42 3kno n ASP 12 Cb 0.36 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.13 3kno n ASP 12 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 3kno n ASN 13 N 0.00 0.00 -0.45 -1.12 6.94 -1.26 -4.40 115.26 114.96 3kno n ASN 13 Ca 0.00 -0.90 0.00 0.00 -0.02 0.00 0.00 54.58 53.66 3kno n ASN 13 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 3kno n ASN 13 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 3kno n THR 14 N 0.00 0.00 0.00 5.53 -1.04 -1.26 -4.73 114.28 112.78 3kno n THR 14 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3kno n THR 14 Cb 0.45 -0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 3kno n THR 14 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kno n GLY 15 N 0.38 0.83 3.60 3.41 0.00 -1.26 -3.79 105.19 108.36 3kno n GLY 15 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3kno n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kno s ALA 16 N 0.00 0.55 0.00 4.61 0.00 -1.26 0.59 121.76 126.25 3kno s ALA 16 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.00 3kno s ALA 16 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.85 3kno s ALA 16 CO 0.00 -3.18 0.00 -2.13 0.00 0.00 0.00 175.76 170.45 3kno n ARG 17 N -4.47 0.99 -3.82 0.00 3.00 -0.15 -4.70 116.66 107.52 3kno n ARG 17 Ca 0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.79 3kno n ARG 17 Cb 0.54 -0.69 -0.11 0.00 0.00 0.00 0.00 32.46 32.19 3kno n ARG 17 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3kno s LYS 18 N -1.39 0.30 0.06 -0.14 1.02 -1.20 -2.42 119.74 115.97 3kno s LYS 18 Ca 0.00 0.09 0.01 0.00 0.02 0.00 0.00 55.97 56.09 3kno s LYS 18 Cb 0.00 0.14 -0.03 0.00 -0.52 0.00 0.00 37.83 37.41 3kno s LYS 18 CO 0.00 -0.05 -0.05 0.96 -0.92 0.00 0.00 175.35 175.29 3kno s ILE 19 N -0.30 0.40 -0.13 2.17 -4.36 0.84 -1.88 121.20 117.95 3kno s ILE 19 Ca -0.04 -1.56 -0.01 0.00 -0.26 0.00 0.00 60.65 58.78 3kno s ILE 19 Cb -0.03 -1.18 -0.02 0.00 1.25 0.00 0.00 42.46 42.48 3kno s ILE 19 CO 0.01 -0.76 -0.10 -0.32 0.24 0.00 0.00 174.94 174.01 3kno s MET 20 N -3.04 3.35 0.48 0.37 -2.45 -1.26 0.83 119.30 117.58 3kno s MET 20 Ca 0.01 -0.62 -0.24 0.00 -1.25 0.00 0.00 55.69 53.59 3kno s MET 20 Cb 0.01 -2.69 -0.07 0.00 1.25 0.00 0.00 34.83 33.32 3kno s MET 20 CO -0.05 0.30 1.36 0.00 1.05 0.00 0.00 175.02 177.68 3kno n ILE 22 N -0.50 0.09 -3.56 0.00 2.08 0.78 -2.20 119.36 116.06 3kno n ILE 22 Ca 0.07 -0.04 -0.07 0.00 0.56 0.00 0.00 62.75 63.26 3kno n ILE 22 Cb 0.44 -0.79 -0.03 0.00 -0.75 0.00 0.00 39.64 38.51 3kno n ILE 22 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3kno s ARG 23 N -2.03 0.56 -0.24 0.38 6.06 -1.22 -4.81 118.95 117.66 3kno s ARG 23 Ca -0.01 -0.12 -0.04 0.00 -2.50 0.00 0.00 55.73 53.05 3kno s ARG 23 Cb 0.00 0.26 -0.01 0.00 0.06 0.00 0.00 34.95 35.27 3kno s ARG 23 CO 0.04 -0.23 -0.01 0.14 -2.50 0.00 0.00 175.30 172.74 3kno s VAL 24 N -2.34 3.51 -1.16 7.11 -7.23 -1.26 -1.62 120.40 117.41 3kno s VAL 24 Ca 0.05 -0.53 -0.22 0.00 -1.81 0.00 0.00 61.98 59.47 3kno s VAL 24 Cb -0.01 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 3kno s VAL 24 CO -0.05 0.35 1.87 -0.76 -0.31 0.00 0.00 175.10 176.20 3kno s LEU 25 N 1.48 3.25 0.08 1.32 1.43 0.32 -4.67 118.68 121.90 3kno s LEU 25 Ca 0.05 -1.69 -0.22 0.00 -1.03 0.00 0.00 54.13 51.24 3kno s LEU 25 Cb -0.15 -2.58 0.06 0.00 0.03 0.00 0.00 46.19 43.54 3kno s LEU 25 CO -0.02 -2.57 0.53 -0.54 0.23 0.00 0.00 176.35 173.98 3kno s LYS 26 N 6.01 1.10 0.00 1.70 1.02 -1.26 -4.58 119.74 123.73 3kno s LYS 26 Ca 0.65 -0.32 0.00 0.00 0.02 0.00 0.00 55.97 56.31 3kno s LYS 26 Cb -0.01 0.50 0.00 0.00 -0.52 0.00 0.00 37.83 37.81 3kno s LYS 26 CO 0.09 -0.42 0.00 0.41 -0.92 0.00 0.00 175.35 174.51 3kno n GLY 27 N 0.16 0.42 0.00 -3.33 0.00 -1.26 -3.98 105.19 97.21 3kno n GLY 27 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3kno n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kno n SER 28 N -0.02 0.63 -2.69 1.61 3.41 -1.26 -4.88 113.62 110.42 3kno n SER 28 Ca 0.00 -0.91 -0.06 0.00 -0.26 0.00 0.00 58.87 57.64 3kno n SER 28 Cb 0.00 0.10 0.10 0.00 -0.26 0.00 0.00 64.21 64.15 3kno n SER 28 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kno n ASN 29 N -0.10 -1.77 -4.56 4.04 0.23 -1.26 -5.11 115.26 106.74 3kno n ASN 29 Ca 0.00 -2.65 -0.37 0.00 -0.53 0.00 0.00 54.58 51.03 3kno n ASN 29 Cb 0.06 1.46 -0.04 0.00 -2.08 0.00 0.00 39.78 39.18 3kno n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kno s ALA 30 N 0.18 2.36 0.13 -2.53 0.00 -1.26 -4.90 121.76 115.73 3kno s ALA 30 Ca 0.22 -1.63 -0.14 0.00 0.00 0.00 0.00 51.96 50.41 3kno s ALA 30 Cb 0.28 -4.45 0.08 0.00 0.00 0.00 0.00 23.12 19.04 3kno s ALA 30 CO -0.14 -3.91 0.96 1.63 0.00 0.00 0.00 175.76 174.30 3kno n LYS 31 N 9.03 -0.19 -4.24 0.00 4.76 -1.26 -4.54 118.16 121.71 3kno n LYS 31 Ca 0.27 0.95 -0.14 0.00 -2.87 0.00 0.00 58.31 56.51 3kno n LYS 31 Cb 0.50 -1.40 -0.10 0.00 -1.84 0.00 0.00 35.03 32.18 3kno n LYS 31 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3kno s TYR 32 N -5.49 1.25 -0.03 2.13 2.02 -1.26 -4.71 117.35 111.26 3kno s TYR 32 Ca -0.08 -0.73 0.05 0.00 -0.37 0.00 0.00 57.07 55.94 3kno s TYR 32 Cb 0.11 -0.64 -0.01 0.00 -0.40 0.00 0.00 41.96 41.02 3kno s TYR 32 CO 0.42 0.08 -0.16 0.00 -1.57 0.00 0.00 175.55 174.32 3kno s ALA 33 N -3.12 1.41 0.40 3.71 0.00 0.44 -4.89 121.76 119.72 3kno s ALA 33 Ca 0.15 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.46 3kno s ALA 33 Cb 0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 3kno s ALA 33 CO 0.01 0.30 0.08 -0.08 0.00 0.00 0.00 175.76 176.07 3kno s THR 34 N -0.17 0.92 0.10 0.00 -1.32 -1.26 -0.02 115.64 113.90 3kno s THR 34 Ca 0.01 -2.00 -0.10 0.00 -1.21 0.00 0.00 61.69 58.39 3kno s THR 34 Cb -0.09 -2.47 -0.07 0.00 -1.51 0.00 0.00 72.50 68.37 3kno s THR 34 CO 0.01 0.00 0.15 0.52 -2.21 0.00 0.00 174.62 173.09 3kno n VAL 35 N -0.91 0.62 -0.95 5.08 0.31 -1.26 -1.45 118.33 119.77 3kno n VAL 35 Ca -0.07 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 3kno n VAL 35 Cb 0.66 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 3kno n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kno n GLY 36 N 0.83 0.47 3.78 2.92 0.00 0.16 -4.92 105.19 108.43 3kno n GLY 36 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 3kno n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kno s ASP 37 N -2.24 5.53 -0.13 1.61 1.01 -0.53 -4.89 116.67 117.03 3kno s ASP 37 Ca 0.00 -0.06 -0.11 0.00 0.71 0.00 0.00 52.55 53.09 3kno s ASP 37 Cb 0.00 -1.47 -0.05 0.00 1.01 0.00 0.00 42.92 42.42 3kno s ASP 37 CO 0.00 0.13 0.23 -0.69 0.21 0.00 0.00 175.17 175.05 3kno s VAL 38 N -1.53 5.34 0.22 -1.27 1.01 -1.26 -1.67 120.40 121.24 3kno s VAL 38 Ca 0.30 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.71 3kno s VAL 38 Cb -0.11 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 3kno s VAL 38 CO 0.23 0.49 0.06 2.30 0.00 0.00 0.00 175.10 178.17 3kno n ILE 39 N 2.87 0.00 -4.27 2.22 -5.35 -0.96 -0.52 119.36 113.35 3kno n ILE 39 Ca -0.15 -1.23 -0.25 0.00 -0.27 0.00 0.00 62.75 60.85 3kno n ILE 39 Cb 0.53 0.39 -0.17 0.00 -1.74 0.00 0.00 39.64 38.65 3kno n ILE 39 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3kno s VAL 40 N -2.24 0.98 0.00 7.28 1.01 -0.64 -2.66 120.40 124.14 3kno s VAL 40 Ca 0.08 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3kno s VAL 40 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.44 3kno s VAL 40 CO 0.06 0.34 0.00 0.00 0.00 0.00 0.00 175.10 175.49 3kno n ALA 41 N 4.26 0.00 -3.08 5.51 0.00 0.15 0.27 120.51 127.63 3kno n ALA 41 Ca -0.19 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.24 3kno n ALA 41 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.96 3kno n ALA 41 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kno s SER 42 N -0.71 -1.51 -0.11 0.00 1.04 -1.17 -1.37 113.70 109.87 3kno s SER 42 Ca 0.00 -1.05 -0.09 0.00 0.48 0.00 0.00 55.95 55.29 3kno s SER 42 Cb 0.00 1.94 -0.04 0.00 0.10 0.00 0.00 66.02 68.02 3kno s SER 42 CO 0.00 -0.14 0.47 0.52 0.98 0.00 0.00 173.24 175.07 3kno n VAL 43 N 4.00 0.00 0.69 5.02 0.31 -0.97 -4.21 118.33 123.17 3kno n VAL 43 Ca 0.13 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.58 3kno n VAL 43 Cb 0.57 -0.11 0.29 0.00 -0.91 0.00 0.00 33.84 33.68 3kno n VAL 43 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3kno n LYS 44 N 1.63 0.21 -3.64 5.55 4.76 -0.79 -0.97 118.16 124.92 3kno n LYS 44 Ca 0.12 0.10 -0.08 0.00 -2.87 0.00 0.00 58.31 55.58 3kno n LYS 44 Cb -0.01 -1.67 -0.07 0.00 -1.84 0.00 0.00 35.03 31.44 3kno n LYS 44 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3kno s GLU 45 N -3.11 0.52 0.45 1.97 -1.05 -1.22 -4.89 118.70 111.37 3kno s GLU 45 Ca 0.09 0.72 0.03 0.00 -0.15 0.00 0.00 54.97 55.65 3kno s GLU 45 Cb 0.14 0.21 -0.02 0.00 -0.44 0.00 0.00 34.13 34.02 3kno s GLU 45 CO 0.66 -0.08 0.09 0.00 0.95 0.00 0.00 175.26 176.89 3kno s ALA 46 N 0.68 3.34 0.22 -0.84 0.00 -1.26 -0.98 121.76 122.92 3kno s ALA 46 Ca -0.02 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.00 3kno s ALA 46 Cb -0.05 0.53 -0.05 0.00 0.00 0.00 0.00 23.12 23.55 3kno s ALA 46 CO -0.09 -0.24 0.44 -1.50 0.00 0.00 0.00 175.76 174.37 3kno s ILE 47 N -3.10 5.14 0.01 0.00 1.10 0.20 -4.84 121.20 119.72 3kno s ILE 47 Ca 0.17 -0.19 -0.03 0.00 -0.51 0.00 0.00 60.65 60.10 3kno s ILE 47 Cb 0.02 -3.72 -0.01 0.00 0.15 0.00 0.00 42.46 38.90 3kno s ILE 47 CO 0.11 -0.20 0.39 -2.65 -2.11 0.00 0.00 174.94 170.48 3kno n PRO 48 N -0.67 -0.04 -3.40 3.50 -0.02 -1.26 -2.15 135.00 130.96 3kno n PRO 48 Ca -0.03 0.39 -0.31 0.00 -2.02 0.00 0.00 63.50 61.52 3kno n PRO 48 Cb 0.54 -0.57 -0.06 0.00 -0.02 0.00 0.00 33.50 33.38 3kno n PRO 48 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kno n ARG 49 N -2.88 2.86 -3.06 -0.52 5.12 -1.26 -5.07 116.66 111.86 3kno n ARG 49 Ca 0.00 -4.63 -0.38 0.00 -1.93 0.00 0.00 57.85 50.92 3kno n ARG 49 Cb 0.02 -2.32 -0.06 0.00 -1.16 0.00 0.00 32.46 28.94 3kno n ARG 49 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3kno s GLY 50 N -2.09 2.74 0.59 -0.13 0.00 -0.92 -4.93 107.32 102.58 3kno s GLY 50 Ca 0.36 0.24 0.29 0.00 0.00 0.00 0.00 44.72 45.61 3kno s GLY 50 CO -0.01 0.66 2.20 0.00 0.00 0.00 0.00 173.10 175.95 3kno h ALA 51 N 3.81 1.65 -3.47 3.20 0.00 -1.88 -3.38 119.26 119.19 3kno h ALA 51 Ca -0.48 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.10 3kno h ALA 51 Cb 1.20 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 18.64 3kno h ALA 51 CO 0.65 -0.11 -0.74 0.54 0.00 0.00 0.00 179.25 179.60 3kno s VAL 52 N -4.65 0.02 0.34 0.00 0.11 -1.25 -5.08 120.40 109.88 3kno s VAL 52 Ca -0.05 0.21 0.08 0.00 -2.93 0.00 0.00 61.98 59.29 3kno s VAL 52 Cb 0.15 -0.16 -0.03 0.00 -1.53 0.00 0.00 36.38 34.81 3kno s VAL 52 CO 0.55 0.13 0.26 -0.54 -3.33 0.00 0.00 175.10 172.17 3kno s LYS 53 N 1.28 2.64 0.46 1.54 3.01 -1.26 -4.01 119.74 123.39 3kno s LYS 53 Ca -0.06 -1.36 -0.19 0.00 -1.01 0.00 0.00 55.97 53.34 3kno s LYS 53 Cb -0.13 -2.40 -0.15 0.00 -1.01 0.00 0.00 37.83 34.14 3kno s LYS 53 CO -0.03 0.10 -0.03 0.39 0.51 0.00 0.00 175.35 176.29 3kno n GLU 54 N -1.32 0.00 -1.00 1.68 1.02 -1.26 -2.41 120.64 117.34 3kno n GLU 54 Ca -0.02 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3kno n GLU 54 Cb 0.60 -1.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.02 3kno n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kno n GLY 55 N 2.42 0.40 3.78 0.62 0.00 -0.15 -4.95 105.19 107.31 3kno n GLY 55 Ca 0.09 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 3kno n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kno s ASP 56 N -2.03 6.73 -0.06 1.61 -0.00 -1.01 -4.90 116.67 117.01 3kno s ASP 56 Ca 0.00 0.87 -0.20 0.00 -0.00 0.00 0.00 52.55 53.22 3kno s ASP 56 Cb 0.00 -2.26 -0.05 0.00 -0.00 0.00 0.00 42.92 40.61 3kno s ASP 56 CO 0.00 0.16 0.56 -0.69 -0.00 0.00 0.00 175.17 175.21 3kno s VAL 57 N -0.21 5.04 0.25 -1.27 1.01 -1.26 -2.29 120.40 121.67 3kno s VAL 57 Ca 0.24 1.15 -0.08 0.00 0.00 0.00 0.00 61.98 63.30 3kno s VAL 57 Cb -0.16 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 3kno s VAL 57 CO 0.11 0.36 0.38 0.68 0.00 0.00 0.00 175.10 176.64 3kno s VAL 58 N 0.24 0.00 -0.27 2.92 -7.23 -0.47 -4.94 120.40 110.65 3kno s VAL 58 Ca 0.30 -1.60 0.01 0.00 -1.81 0.00 0.00 61.98 58.87 3kno s VAL 58 Cb -0.17 -2.36 0.05 0.00 0.56 0.00 0.00 36.38 34.46 3kno s VAL 58 CO 0.15 0.00 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.32 3kno s LYS 59 N -3.88 2.44 0.00 4.82 1.02 -1.26 0.33 119.74 123.22 3kno s LYS 59 Ca 0.28 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 55.04 3kno s LYS 59 Cb 0.01 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 3kno s LYS 59 CO 0.12 -0.54 0.00 0.00 -0.92 0.00 0.00 175.35 174.01 3kno n ALA 60 N 4.54 0.00 -3.01 5.17 0.00 -1.09 -0.31 120.51 125.82 3kno n ALA 60 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.17 3kno n ALA 60 Cb 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.75 3kno n ALA 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kno s VAL 61 N 0.12 -0.00 -0.14 0.00 0.11 0.76 -2.28 120.40 118.96 3kno s VAL 61 Ca 0.00 0.02 -0.29 0.00 -2.93 0.00 0.00 61.98 58.77 3kno s VAL 61 Cb 0.00 -0.11 -0.01 0.00 -1.53 0.00 0.00 36.38 34.73 3kno s VAL 61 CO 0.00 0.01 1.14 -0.69 -3.33 0.00 0.00 175.10 172.23 3kno s VAL 62 N 0.13 4.47 -0.01 2.04 1.01 -0.67 -0.50 120.40 126.87 3kno s VAL 62 Ca -0.01 1.77 0.09 0.00 0.00 0.00 0.00 61.98 63.84 3kno s VAL 62 Cb -0.01 -4.14 -0.14 0.00 0.00 0.00 0.00 36.38 32.08 3kno s VAL 62 CO -0.00 -0.09 0.20 1.33 0.00 0.00 0.00 175.10 176.54 3kno n VAL 63 N 5.00 0.01 -4.13 2.92 0.24 -1.01 0.40 118.33 121.76 3kno n VAL 63 Ca 0.12 -0.21 -0.11 0.00 -2.04 0.00 0.00 64.34 62.10 3kno n VAL 63 Cb 0.46 0.28 -0.09 0.00 -1.47 0.00 0.00 33.84 33.02 3kno n VAL 63 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3kno s ARG 64 N -2.63 1.24 -0.06 7.34 0.52 -1.06 -3.01 118.95 121.30 3kno s ARG 64 Ca -0.03 -1.49 -0.30 0.00 -0.52 0.00 0.00 55.73 53.39 3kno s ARG 64 Cb 0.06 0.32 0.11 0.00 0.52 0.00 0.00 34.95 35.96 3kno s ARG 64 CO 0.38 -0.43 0.93 -0.08 0.02 0.00 0.00 175.30 176.12 3kno s THR 65 N -4.10 0.00 -0.54 0.02 -1.32 -1.26 -3.40 115.64 105.04 3kno s THR 65 Ca 0.32 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.04 3kno s THR 65 Cb 0.05 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.13 3kno s THR 65 CO 0.09 0.00 1.33 0.50 -2.21 0.00 0.00 174.62 174.33 3kno h LYS 66 N 2.17 0.00 -4.94 7.08 1.63 -1.33 -1.56 116.57 119.62 3kno h LYS 66 Ca -0.20 0.00 -0.70 0.00 -0.85 0.00 0.00 60.65 58.90 3kno h LYS 66 Cb 1.21 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 32.66 3kno h LYS 66 CO 0.31 0.00 0.88 0.21 -3.45 0.00 0.00 179.45 177.40 3kno s LYS 67 N -3.21 3.67 -0.08 1.90 2.47 -1.26 -4.64 119.74 118.59 3kno s LYS 67 Ca 0.05 -1.91 -0.17 0.00 -1.56 0.00 0.00 55.97 52.39 3kno s LYS 67 Cb 0.12 -4.92 -0.08 0.00 -1.46 0.00 0.00 37.83 31.49 3kno s LYS 67 CO 0.72 -1.75 0.50 -0.85 0.16 0.00 0.00 175.35 174.13 3kno n GLU 68 N 6.32 0.00 -3.56 4.03 0.00 -1.26 -4.71 120.64 121.46 3kno n GLU 68 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 57.02 3kno n GLU 68 Cb 0.48 -0.58 -0.11 0.00 0.00 0.00 0.00 31.44 31.23 3kno n GLU 68 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3kno s ILE 69 N 0.51 5.16 -0.14 3.84 1.09 0.80 -4.86 121.20 127.60 3kno s ILE 69 Ca 0.38 -0.18 -0.22 0.00 -1.10 0.00 0.00 60.65 59.52 3kno s ILE 69 Cb -0.53 -3.61 -0.03 0.00 -1.06 0.00 0.00 42.46 37.23 3kno s ILE 69 CO 0.26 0.05 0.68 -0.75 -0.10 0.00 0.00 174.94 175.09 3kno s LYS 70 N 1.71 4.32 0.23 2.79 2.20 -1.26 -0.80 119.74 128.92 3kno s LYS 70 Ca 0.06 0.78 -0.11 0.00 -0.36 0.00 0.00 55.97 56.34 3kno s LYS 70 Cb -0.17 -3.52 -0.07 0.00 -1.51 0.00 0.00 37.83 32.56 3kno s LYS 70 CO 0.10 -0.12 0.57 1.03 -0.36 0.00 0.00 175.35 176.57 3kno s ARG 71 N 1.46 3.86 0.66 4.03 0.52 0.75 -4.95 118.95 125.28 3kno s ARG 71 Ca 0.34 0.36 0.32 0.00 -0.52 0.00 0.00 55.73 56.23 3kno s ARG 71 Cb -0.17 -2.67 1.76 0.00 0.52 0.00 0.00 34.95 34.39 3kno s ARG 71 CO 0.13 0.33 2.00 -1.00 0.02 0.00 0.00 175.30 176.78 3kno h PRO 72 N 2.69 0.00 0.00 3.54 0.13 -1.98 0.60 132.00 136.99 3kno h PRO 72 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3kno h PRO 72 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3kno h PRO 72 CO 0.68 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.05 3kno n ASP 73 N -2.98 0.00 0.00 1.44 5.68 -1.26 -4.78 116.55 114.65 3kno n ASP 73 Ca -0.02 -0.30 0.00 0.00 -0.50 0.00 0.00 54.79 53.97 3kno n ASP 73 Cb 0.34 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 3kno n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kno n GLY 74 N -0.45 3.09 2.72 6.12 0.00 0.20 -5.03 105.19 111.84 3kno n GLY 74 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 3kno n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kno n SER 75 N 0.17 1.42 -3.74 1.61 3.41 -1.24 -4.89 113.62 110.36 3kno n SER 75 Ca 0.00 -2.05 -0.10 0.00 -0.26 0.00 0.00 58.87 56.47 3kno n SER 75 Cb 0.00 -0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 63.60 3kno n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kno s ALA 76 N -2.54 -0.94 -0.04 7.33 0.00 -1.26 -0.18 121.76 124.13 3kno s ALA 76 Ca 0.43 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.17 3kno s ALA 76 Cb -0.03 0.85 0.03 0.00 0.00 0.00 0.00 23.12 23.97 3kno s ALA 76 CO 0.27 -0.80 -0.01 -1.50 0.00 0.00 0.00 175.76 173.72 3kno s ILE 77 N -3.87 0.31 -0.11 0.00 1.10 0.02 -4.95 121.20 113.71 3kno s ILE 77 Ca 0.09 0.02 0.03 0.00 -0.51 0.00 0.00 60.65 60.29 3kno s ILE 77 Cb -0.01 -0.39 0.01 0.00 0.15 0.00 0.00 42.46 42.21 3kno s ILE 77 CO -0.03 0.18 -0.21 -0.60 -2.11 0.00 0.00 174.94 172.18 3kno s ARG 78 N 1.10 2.74 0.29 3.50 3.52 -1.26 -0.14 118.95 128.70 3kno s ARG 78 Ca -0.09 -0.76 -0.06 0.00 -0.13 0.00 0.00 55.73 54.69 3kno s ARG 78 Cb -0.14 -2.16 -0.06 0.00 -1.56 0.00 0.00 34.95 31.04 3kno s ARG 78 CO -0.01 0.07 0.57 -0.06 -0.81 0.00 0.00 175.30 175.06 3kno s PHE 79 N 0.60 3.47 0.37 5.12 0.40 -0.59 -4.96 117.98 122.40 3kno s PHE 79 Ca -0.13 0.71 0.08 0.00 -0.60 0.00 0.00 56.93 56.98 3kno s PHE 79 Cb -0.17 -2.15 0.71 0.00 0.51 0.00 0.00 43.02 41.92 3kno s PHE 79 CO 0.04 0.16 1.89 0.22 0.70 0.00 0.00 175.22 178.23 3kno h ASP 80 N 1.76 0.30 0.00 1.36 3.58 -1.94 -3.34 116.42 118.13 3kno h ASP 80 Ca -0.47 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 56.91 3kno h ASP 80 Cb 1.19 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.16 3kno h ASP 80 CO 0.66 0.45 0.00 -0.90 -2.88 0.00 0.00 179.24 176.57 3kno n ASP 81 N -4.26 0.00 -3.04 2.28 3.85 -1.26 -4.87 116.55 109.25 3kno n ASP 81 Ca -0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 54.79 54.04 3kno n ASP 81 Cb 0.28 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.04 3kno n ASP 81 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 3kno s ASN 82 N 0.51 -1.19 0.54 -1.12 3.04 -1.26 -1.32 114.94 114.13 3kno s ASN 82 Ca 0.00 -1.34 0.05 0.00 0.04 0.00 0.00 52.86 51.61 3kno s ASN 82 Cb 0.00 1.75 0.03 0.00 -1.54 0.00 0.00 41.25 41.48 3kno s ASN 82 CO 0.00 -0.12 0.32 0.00 -3.04 0.00 0.00 177.10 174.26 3kno s ALA 83 N 1.33 4.37 0.35 1.71 0.00 -1.22 -2.15 121.76 126.15 3kno s ALA 83 Ca 0.23 -1.07 -0.17 0.00 0.00 0.00 0.00 51.96 50.94 3kno s ALA 83 Cb -0.03 -0.58 0.04 0.00 0.00 0.00 0.00 23.12 22.55 3kno s ALA 83 CO -0.06 -0.36 0.76 0.00 0.00 0.00 0.00 175.76 176.09 3kno s ALA 84 N -2.79 -0.89 -0.05 0.00 0.00 -0.47 -2.41 121.76 115.15 3kno s ALA 84 Ca 0.28 -0.61 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 3kno s ALA 84 Cb -0.01 0.75 0.03 0.00 0.00 0.00 0.00 23.12 23.88 3kno s ALA 84 CO 0.17 -1.00 0.12 0.08 0.00 0.00 0.00 175.76 175.13 3kno s VAL 85 N -2.91 -0.03 0.22 0.00 1.01 0.35 -0.36 120.40 118.68 3kno s VAL 85 Ca 0.14 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.93 3kno s VAL 85 Cb -0.05 -0.20 -0.10 0.00 0.00 0.00 0.00 36.38 36.03 3kno s VAL 85 CO 0.10 0.05 1.50 -0.63 0.00 0.00 0.00 175.10 176.11 3kno s ILE 86 N 0.74 2.60 0.53 2.22 1.09 -1.26 -0.17 121.20 126.94 3kno s ILE 86 Ca -0.06 0.48 0.03 0.00 -1.10 0.00 0.00 60.65 60.00 3kno s ILE 86 Cb -0.08 -3.31 0.03 0.00 -1.06 0.00 0.00 42.46 38.05 3kno s ILE 86 CO -0.03 0.06 0.24 -0.38 -0.10 0.00 0.00 174.94 174.73 3kno n ILE 87 N 2.91 0.00 -4.26 2.92 2.08 0.58 -2.33 119.36 121.26 3kno n ILE 87 Ca 0.09 -2.24 -0.19 0.00 0.56 0.00 0.00 62.75 60.97 3kno n ILE 87 Cb 0.39 0.18 -0.13 0.00 -0.75 0.00 0.00 39.64 39.33 3kno n ILE 87 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3kno s ASN 88 N -4.01 1.67 0.44 4.38 4.22 0.23 -4.55 114.94 117.31 3kno s ASN 88 Ca 0.18 -0.54 0.00 0.00 -2.14 0.00 0.00 52.86 50.37 3kno s ASN 88 Cb -0.01 -0.08 0.00 0.00 1.28 0.00 0.00 41.25 42.44 3kno s ASN 88 CO 0.12 -0.02 0.83 0.59 -2.04 0.00 0.00 177.10 176.57 3kno n ASN 89 N 1.59 0.00 -1.80 3.54 4.13 -1.26 0.25 115.26 121.71 3kno n ASN 89 Ca -0.20 0.33 -0.12 0.00 1.68 0.00 0.00 54.58 56.28 3kno n ASN 89 Cb 0.54 0.00 0.17 0.00 -1.54 0.00 0.00 39.78 38.96 3kno n ASN 89 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kno n GLN 90 N -1.99 2.39 -1.51 3.52 3.00 -1.26 -4.87 117.38 116.67 3kno n GLN 90 Ca 0.00 -2.22 -0.13 0.00 -0.01 0.00 0.00 57.00 54.65 3kno n GLN 90 Cb 0.83 -1.91 -0.05 0.00 0.00 0.00 0.00 30.24 29.11 3kno n GLN 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3kno n LEU 91 N -0.41 -0.95 -4.44 1.08 4.32 0.68 -4.92 117.00 112.36 3kno n LEU 91 Ca 0.38 0.29 -0.33 0.00 -0.02 0.00 0.00 56.01 56.33 3kno n LEU 91 Cb 1.26 -1.95 -0.13 0.00 -1.62 0.00 0.00 43.42 40.97 3kno n LEU 91 CO 0.39 -0.59 -0.43 -1.61 -1.22 0.00 0.00 177.39 173.93 3kno s GLU 92 N -3.32 3.06 0.33 3.23 2.02 -1.12 -4.80 118.70 118.10 3kno s GLU 92 Ca 0.00 -0.66 -0.29 0.00 0.02 0.00 0.00 54.97 54.04 3kno s GLU 92 Cb 0.00 -2.57 -0.11 0.00 0.10 0.00 0.00 34.13 31.55 3kno s GLU 92 CO 0.00 0.39 1.57 -1.25 0.02 0.00 0.00 175.26 175.99 3kno s PRO 93 N -0.11 4.10 0.08 0.39 0.04 -1.26 -0.60 135.00 137.64 3kno s PRO 93 Ca -0.01 2.60 0.27 0.00 0.04 0.00 0.00 61.00 63.90 3kno s PRO 93 Cb -0.14 -3.00 0.87 0.00 0.04 0.00 0.00 34.50 32.28 3kno s PRO 93 CO 0.03 -0.61 1.72 0.54 0.04 0.00 0.00 177.00 178.72 3kno n ARG 94 N 1.54 0.12 -0.32 4.56 1.74 -0.98 -4.86 116.66 118.45 3kno n ARG 94 Ca 0.06 0.07 -0.13 0.00 -0.77 0.00 0.00 57.85 57.08 3kno n ARG 94 Cb 0.38 -1.61 0.11 0.00 -1.02 0.00 0.00 32.46 30.32 3kno n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kno n GLY 95 N 1.42 -3.00 0.00 -0.13 0.00 -1.26 -4.91 105.19 97.32 3kno n GLY 95 Ca 0.06 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.68 3kno n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kno n THR 96 N -3.72 0.00 -4.07 2.61 -2.24 -1.26 -5.07 114.28 100.53 3kno n THR 96 Ca 0.06 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.70 3kno n THR 96 Cb 0.25 0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.70 3kno n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kno s ARG 97 N 0.00 1.96 -0.30 -0.78 1.81 -1.26 -5.10 118.95 115.28 3kno s ARG 97 Ca 0.00 -1.76 -0.16 0.00 -1.72 0.00 0.00 55.73 52.10 3kno s ARG 97 Cb 0.00 0.46 0.18 0.00 -0.45 0.00 0.00 34.95 35.13 3kno s ARG 97 CO 0.00 -0.82 1.07 0.54 -0.68 0.00 0.00 175.30 175.41 3kno s VAL 98 N -2.95 -0.36 0.10 3.52 0.11 -1.26 -4.49 120.40 115.07 3kno s VAL 98 Ca 0.30 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.23 3kno s VAL 98 Cb -0.01 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.78 3kno s VAL 98 CO 0.20 0.00 0.45 -0.36 -3.33 0.00 0.00 175.10 172.06 3kno s PHE 99 N 2.47 3.59 0.29 1.54 2.99 -1.12 -4.18 117.98 123.57 3kno s PHE 99 Ca -0.01 0.88 0.00 0.00 0.00 0.00 0.00 56.93 57.80 3kno s PHE 99 Cb -0.06 -2.23 0.00 0.00 0.00 0.00 0.00 43.02 40.73 3kno s PHE 99 CO -0.16 0.49 0.00 0.41 -0.00 0.00 0.00 175.22 175.96 3kno n GLY 100 N 0.87 -3.12 3.07 4.36 0.00 -1.26 -4.75 105.19 104.35 3kno n GLY 100 Ca -0.07 -1.21 -0.22 0.00 0.00 0.00 0.00 46.02 44.52 3kno n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kno n PRO 101 N -2.77 -1.92 -3.65 1.61 -0.02 -1.26 -4.26 135.00 122.74 3kno n PRO 101 Ca -0.03 -0.56 -0.10 0.00 -2.02 0.00 0.00 63.50 60.78 3kno n PRO 101 Cb 0.29 -1.48 -0.04 0.00 -0.02 0.00 0.00 33.50 32.25 3kno n PRO 101 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kno s VAL 102 N -2.10 0.06 -0.26 -1.45 -7.23 -0.92 -4.92 120.40 103.59 3kno s VAL 102 Ca 0.40 -0.61 -0.19 0.00 -1.81 0.00 0.00 61.98 59.77 3kno s VAL 102 Cb -0.06 -1.23 -0.02 0.00 0.56 0.00 0.00 36.38 35.63 3kno s VAL 102 CO 0.42 -0.28 0.58 0.00 -0.31 0.00 0.00 175.10 175.51 3kno s ALA 103 N -3.82 3.60 0.41 1.32 0.00 -1.16 0.14 121.76 122.25 3kno s ALA 103 Ca 0.04 -0.51 0.16 0.00 0.00 0.00 0.00 51.96 51.65 3kno s ALA 103 Cb 0.01 -2.97 0.87 0.00 0.00 0.00 0.00 23.12 21.03 3kno s ALA 103 CO -0.11 -0.78 1.43 0.07 0.00 0.00 0.00 175.76 176.38 3kno h ARG 104 N 7.94 0.00 0.00 0.00 0.11 -0.66 0.97 114.38 122.74 3kno h ARG 104 Ca -0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.80 3kno h ARG 104 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 3kno h ARG 104 CO 0.75 0.00 0.04 0.39 0.10 0.00 0.00 179.97 181.25 3kno n GLU 105 N -2.41 0.07 0.08 0.08 4.71 -1.26 0.59 120.64 122.51 3kno n GLU 105 Ca -0.01 0.56 -0.10 0.00 -0.01 0.00 0.00 57.16 57.60 3kno n GLU 105 Cb 0.50 -1.79 -0.05 0.00 -1.01 0.00 0.00 31.44 29.10 3kno n GLU 105 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3kno h LEU 106 N 0.00 0.27 0.05 -4.62 3.38 0.63 -2.64 115.31 112.38 3kno h LEU 106 Ca 0.00 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.60 3kno h LEU 106 Cb 0.08 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.76 3kno h LEU 106 CO 0.00 1.08 -0.55 -0.09 0.09 0.00 0.00 178.44 178.97 3kno h ARG 107 N 0.09 0.28 -0.17 1.13 2.43 -0.03 -0.77 114.38 117.35 3kno h ARG 107 Ca -0.06 -0.37 0.05 0.00 -0.81 0.00 0.00 59.98 58.79 3kno h ARG 107 Cb 1.63 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.29 3kno h ARG 107 CO 0.15 1.11 0.21 0.93 -1.51 0.00 0.00 179.97 180.85 3kno h GLU 108 N -0.38 0.00 0.00 0.20 5.08 -1.53 -0.02 114.58 117.94 3kno h GLU 108 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3kno h GLU 108 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 3kno h GLU 108 CO 0.11 0.00 -0.66 1.63 -1.00 0.00 0.00 179.01 179.08 3kno n LYS 109 N -3.69 0.24 0.00 2.33 4.76 -1.00 -4.98 118.16 115.82 3kno n LYS 109 Ca 0.01 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 3kno n LYS 109 Cb 0.32 -1.64 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 3kno n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kno n GLY 110 N 1.37 0.98 2.99 0.72 0.00 -0.02 -5.02 105.19 106.20 3kno n GLY 110 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3kno n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kno n PHE 111 N -1.79 2.96 0.00 1.61 0.99 -0.32 -4.92 117.46 115.99 3kno n PHE 111 Ca 0.00 -2.81 0.00 0.00 -0.00 0.00 0.00 57.45 54.64 3kno n PHE 111 Cb 0.00 -1.70 0.00 0.00 -1.00 0.00 0.00 39.48 36.78 3kno n PHE 111 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 3kno n MET 112 N 3.02 0.00 0.21 -1.08 2.81 -1.26 -2.42 117.12 118.40 3kno n MET 112 Ca 0.34 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 56.25 3kno n MET 112 Cb 0.36 -0.47 0.12 0.00 -0.71 0.00 0.00 33.22 32.52 3kno n MET 112 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3kno h LYS 113 N 0.00 0.00 0.14 0.03 1.57 -1.97 1.25 116.57 117.59 3kno h LYS 113 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3kno h LYS 113 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3kno h LYS 113 CO 0.00 0.00 -0.07 0.82 -0.57 0.00 0.00 179.45 179.63 3kno h ILE 114 N 0.00 0.68 -0.94 1.86 2.04 -1.98 -1.53 117.51 117.64 3kno h ILE 114 Ca 0.00 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.66 3kno h ILE 114 Cb 1.39 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 38.62 3kno h ILE 114 CO 0.00 0.20 0.60 0.58 0.00 0.00 0.00 178.15 179.53 3kno h VAL 115 N -0.95 1.25 0.79 1.67 2.07 0.18 -1.08 116.25 120.18 3kno h VAL 115 Ca -0.02 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 3kno h VAL 115 Cb 0.46 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3kno h VAL 115 CO 0.03 0.25 -0.42 0.77 0.02 0.00 0.00 177.57 178.22 3kno h SER 116 N 1.29 -1.01 -0.59 0.57 4.64 -0.83 -3.22 113.55 114.39 3kno h SER 116 Ca 0.34 0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.74 3kno h SER 116 Cb -0.11 0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.21 3kno h SER 116 CO -0.07 -0.68 0.35 0.25 -0.87 0.00 0.00 176.83 175.81 3kno h LEU 117 N -1.11 0.56 -4.36 5.97 6.46 -1.09 -3.46 115.31 118.28 3kno h LEU 117 Ca -0.11 0.01 -0.32 0.00 -0.12 0.00 0.00 57.88 57.34 3kno h LEU 117 Cb 0.87 -0.11 0.05 0.00 -0.73 0.00 0.00 40.66 40.75 3kno h LEU 117 CO 0.15 0.39 -0.27 0.00 -0.62 0.00 0.00 178.44 178.09 3kno n ALA 118 N -2.30 -1.92 0.30 1.25 0.00 -0.42 -4.75 120.51 112.65 3kno n ALA 118 Ca 0.06 0.21 0.19 0.00 0.00 0.00 0.00 53.44 53.89 3kno n ALA 118 Cb 0.10 -0.78 0.98 0.00 0.00 0.00 0.00 19.45 19.75 3kno n ALA 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3kno h PRO 119 N 0.47 0.00 0.00 0.00 0.11 -1.74 -3.42 132.00 127.41 3kno h PRO 119 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3kno h PRO 119 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 3kno h PRO 119 CO 0.27 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.21 3kno n GLU 120 N -3.27 0.00 -3.32 1.05 0.28 -1.26 -4.97 120.64 109.16 3kno n GLU 120 Ca -0.01 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.75 3kno n GLU 120 Cb 0.23 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.10 3kno n GLU 120 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3kno s VAL 121 N -0.32 5.02 0.00 3.84 1.01 -1.26 -2.16 120.40 126.54 3kno s VAL 121 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.55 3kno s VAL 121 Cb 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3kno s VAL 121 CO 0.00 -0.56 0.00 0.18 0.00 0.00 0.00 175.10 174.72