#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k45 s LYS 2 N 0.00 2.26 -0.02 3.44 -0.14 -1.26 -4.84 119.74 119.17 2k45 s LYS 2 Ca 0.00 -2.74 -0.08 0.00 -1.36 0.00 0.00 55.97 51.79 2k45 s LYS 2 Cb 0.00 -3.47 -0.30 0.00 -1.68 0.00 0.00 37.83 32.39 2k45 s LYS 2 CO 0.00 -1.16 0.78 -0.07 -0.76 0.00 0.00 175.35 174.14 2k45 h LEU 3 N 6.44 0.54 0.00 3.17 4.07 -1.77 -3.36 115.31 124.39 2k45 h LEU 3 Ca -0.02 -0.75 0.00 0.00 0.08 0.00 0.00 57.88 57.19 2k45 h LEU 3 Cb 0.88 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.45 2k45 h LEU 3 CO 0.71 1.63 0.00 0.61 -1.08 0.00 0.00 178.44 180.30 2k45 n GLY 4 N 1.76 0.64 3.22 0.83 0.00 -1.21 -1.20 105.19 109.24 2k45 n GLY 4 Ca -0.20 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 2k45 n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k45 s LYS 5 N 0.00 0.86 -0.28 1.61 1.02 -1.22 -3.42 119.74 118.30 2k45 s LYS 5 Ca 0.00 -0.90 0.02 0.00 0.02 0.00 0.00 55.97 55.10 2k45 s LYS 5 Cb 0.00 0.35 0.08 0.00 -0.52 0.00 0.00 37.83 37.74 2k45 s LYS 5 CO 0.00 -0.28 -0.01 -0.48 -0.92 0.00 0.00 175.35 173.66 2k45 s LEU 6 N -2.80 3.34 -0.38 3.17 2.34 0.33 0.15 118.68 124.83 2k45 s LEU 6 Ca 0.04 -1.58 -0.17 0.00 0.06 0.00 0.00 54.13 52.49 2k45 s LEU 6 Cb 0.04 -1.34 0.01 0.00 -0.56 0.00 0.00 46.19 44.34 2k45 s LEU 6 CO -0.11 -0.30 0.43 -1.10 -1.06 0.00 0.00 176.35 174.22 2k45 s GLN 7 N 1.22 3.35 0.00 1.48 1.11 -0.74 -1.41 119.66 124.68 2k45 s GLN 7 Ca 0.01 -0.53 0.00 0.00 0.01 0.00 0.00 55.36 54.85 2k45 s GLN 7 Cb -0.19 -3.88 0.00 0.00 -1.01 0.00 0.00 33.01 27.93 2k45 s GLN 7 CO -0.09 -0.71 0.00 0.66 0.01 0.00 0.00 175.29 175.16 2k45 n TYR 8 N 5.57 -0.62 -3.86 0.91 4.01 -1.01 -3.87 117.16 118.28 2k45 n TYR 8 Ca -0.07 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.44 2k45 n TYR 8 Cb 0.48 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.34 2k45 n TYR 8 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2k45 s SER 9 N 0.02 1.53 -0.01 7.72 1.04 -1.26 -1.56 113.70 121.18 2k45 s SER 9 Ca 0.00 -0.12 0.07 0.00 0.48 0.00 0.00 55.95 56.38 2k45 s SER 9 Cb 0.00 -0.49 -0.02 0.00 0.10 0.00 0.00 66.02 65.61 2k45 s SER 9 CO 0.00 -0.16 -0.24 -1.48 0.98 0.00 0.00 173.24 172.34 2k45 s LEU 10 N 1.73 2.06 0.42 2.42 2.34 0.10 -4.43 118.68 123.32 2k45 s LEU 10 Ca 0.02 -0.45 0.03 0.00 0.06 0.00 0.00 54.13 53.80 2k45 s LEU 10 Cb -0.13 -1.23 -0.03 0.00 -0.56 0.00 0.00 46.19 44.24 2k45 s LEU 10 CO -0.05 0.29 0.07 -0.62 -1.06 0.00 0.00 176.35 174.98 2k45 s ASP 11 N -0.62 3.19 -0.18 1.48 2.15 -0.28 -0.31 116.67 122.10 2k45 s ASP 11 Ca 0.09 -1.59 0.01 0.00 0.43 0.00 0.00 52.55 51.49 2k45 s ASP 11 Cb -0.09 0.33 0.02 0.00 -0.30 0.00 0.00 42.92 42.88 2k45 s ASP 11 CO -0.01 -0.81 -0.19 -0.72 -0.17 0.00 0.00 175.17 173.27 2k45 s TYR 12 N -3.09 2.73 -0.49 -5.34 1.13 -1.25 0.24 117.35 111.28 2k45 s TYR 12 Ca 0.22 -1.64 -0.23 0.00 -1.41 0.00 0.00 57.07 54.01 2k45 s TYR 12 Cb 0.04 -1.88 0.03 0.00 -1.10 0.00 0.00 41.96 39.05 2k45 s TYR 12 CO 0.12 -0.80 0.82 0.34 -2.51 0.00 0.00 175.55 173.52 2k45 s ASP 13 N 1.30 6.37 0.33 -0.18 -1.08 -0.79 -4.91 116.67 117.70 2k45 s ASP 13 Ca 0.04 -0.27 0.20 0.00 -0.52 0.00 0.00 52.55 52.01 2k45 s ASP 13 Cb -0.13 -2.39 0.17 0.00 -1.46 0.00 0.00 42.92 39.10 2k45 s ASP 13 CO -0.12 -1.01 1.41 2.19 0.52 0.00 0.00 175.17 178.16 2k45 h PHE 14 N 9.08 0.00 -0.39 -5.34 -0.00 -1.95 -0.11 116.94 118.24 2k45 h PHE 14 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.72 2k45 h PHE 14 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.03 2k45 h PHE 14 CO 0.83 0.19 0.00 0.00 -0.00 0.00 0.00 178.31 179.33 2k45 n GLN 15 N -3.06 2.02 0.00 6.09 -0.00 -1.26 -1.48 117.38 119.69 2k45 n GLN 15 Ca 0.02 -1.45 0.05 0.00 -0.00 0.00 0.00 57.00 55.62 2k45 n GLN 15 Cb 0.62 -1.36 0.03 0.00 -0.00 0.00 0.00 30.24 29.53 2k45 n GLN 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2k45 n ASN 16 N 0.63 1.66 -3.82 2.61 0.23 -1.08 -5.03 115.26 110.46 2k45 n ASN 16 Ca 0.13 -1.33 -0.29 0.00 -0.53 0.00 0.00 54.58 52.57 2k45 n ASN 16 Cb 0.37 0.17 0.01 0.00 -2.08 0.00 0.00 39.78 38.26 2k45 n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k45 n ASN 17 N 0.29 -2.74 -3.84 0.53 4.05 -0.10 -4.89 115.26 108.56 2k45 n ASN 17 Ca 0.06 -1.02 -0.12 0.00 0.45 0.00 0.00 54.58 53.95 2k45 n ASN 17 Cb 0.25 -3.19 -0.10 0.00 1.23 0.00 0.00 39.78 37.98 2k45 n ASN 17 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 2k45 s GLN 18 N -6.31 0.53 0.01 1.20 -0.44 -0.92 -1.12 119.66 112.62 2k45 s GLN 18 Ca 0.23 -0.33 -0.24 0.00 -2.50 0.00 0.00 55.36 52.53 2k45 s GLN 18 Cb -0.09 0.23 -0.05 0.00 -1.64 0.00 0.00 33.01 31.46 2k45 s GLN 18 CO 0.88 -0.13 0.72 -0.51 0.50 0.00 0.00 175.29 176.74 2k45 s LEU 19 N -1.34 4.42 -0.25 3.68 1.43 -0.84 -1.89 118.68 123.89 2k45 s LEU 19 Ca -0.14 1.34 -0.06 0.00 -1.03 0.00 0.00 54.13 54.24 2k45 s LEU 19 Cb -0.07 -3.14 0.12 0.00 0.03 0.00 0.00 46.19 43.14 2k45 s LEU 19 CO 0.02 0.01 0.50 -0.22 0.23 0.00 0.00 176.35 176.90 2k45 s LEU 20 N 0.06 -0.89 -0.32 1.79 0.20 0.65 -0.98 118.68 119.19 2k45 s LEU 20 Ca 0.37 1.00 0.01 0.00 0.69 0.00 0.00 54.13 56.20 2k45 s LEU 20 Cb -0.19 1.70 0.19 0.00 -0.43 0.00 0.00 46.19 47.45 2k45 s LEU 20 CO 0.21 -0.24 0.74 -0.69 -0.29 0.00 0.00 176.35 176.08 2k45 s VAL 21 N 2.72 -0.76 -0.49 1.68 1.01 -1.25 -1.12 120.40 122.18 2k45 s VAL 21 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 2k45 s VAL 21 Cb -0.13 -0.52 0.10 0.00 0.00 0.00 0.00 36.38 35.83 2k45 s VAL 21 CO -0.16 0.00 0.42 -0.83 0.00 0.00 0.00 175.10 174.52 2k45 s GLY 22 N 2.57 2.05 0.00 4.51 0.00 -1.26 -3.48 107.32 111.71 2k45 s GLY 22 Ca 0.16 -2.33 0.00 0.00 0.00 0.00 0.00 44.72 42.55 2k45 s GLY 22 CO -0.20 1.11 0.00 1.39 0.00 0.00 0.00 173.10 175.40 2k45 n ILE 23 N 5.16 0.00 0.00 0.90 2.08 -1.17 -2.49 119.36 123.85 2k45 n ILE 23 Ca -0.12 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.19 2k45 n ILE 23 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.31 2k45 n ILE 23 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 2k45 n ILE 24 N 0.00 0.00 -3.79 1.39 5.41 -1.25 0.31 119.36 121.44 2k45 n ILE 24 Ca 0.00 0.20 -0.13 0.00 1.00 0.00 0.00 62.75 63.83 2k45 n ILE 24 Cb 0.00 -0.96 -0.10 0.00 -0.71 0.00 0.00 39.64 37.87 2k45 n ILE 24 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2k45 s GLN 25 N -0.41 0.46 0.16 0.38 -0.44 -1.25 0.86 119.66 119.42 2k45 s GLN 25 Ca 0.00 0.10 0.04 0.00 -2.50 0.00 0.00 55.36 53.00 2k45 s GLN 25 Cb 0.00 0.21 -0.04 0.00 -1.64 0.00 0.00 33.01 31.54 2k45 s GLN 25 CO 0.00 -0.09 0.17 0.00 0.50 0.00 0.00 175.29 175.86 2k45 s ALA 26 N -0.53 3.65 -0.06 1.58 0.00 0.15 -1.78 121.76 124.77 2k45 s ALA 26 Ca -0.06 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.74 2k45 s ALA 26 Cb -0.04 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.64 2k45 s ALA 26 CO 0.02 0.51 -0.11 0.00 0.00 0.00 0.00 175.76 176.18 2k45 s ALA 27 N -1.75 1.15 -1.27 0.00 0.00 0.12 -1.50 121.76 118.51 2k45 s ALA 27 Ca 0.32 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.90 2k45 s ALA 27 Cb -0.10 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.50 2k45 s ALA 27 CO 0.24 0.11 0.87 0.39 0.00 0.00 0.00 175.76 177.37 2k45 n GLU 28 N 3.76 -5.87 -2.81 0.00 -0.58 -0.39 -3.31 120.64 111.44 2k45 n GLU 28 Ca -0.23 0.73 -0.28 0.00 -0.42 0.00 0.00 57.16 56.96 2k45 n GLU 28 Cb 0.52 -5.54 -0.01 0.00 -0.57 0.00 0.00 31.44 25.84 2k45 n GLU 28 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k45 s LEU 29 N -6.60 3.75 0.50 -4.62 1.43 0.29 -4.19 118.68 109.24 2k45 s LEU 29 Ca 0.06 0.95 -0.23 0.00 -1.03 0.00 0.00 54.13 53.89 2k45 s LEU 29 Cb -0.03 -3.86 -0.07 0.00 0.03 0.00 0.00 46.19 42.25 2k45 s LEU 29 CO 0.77 -0.47 1.23 -2.65 0.23 0.00 0.00 176.35 175.46 2k45 n PRO 30 N -1.79 1.62 -3.01 1.29 -0.02 -1.26 -4.67 135.00 127.16 2k45 n PRO 30 Ca 0.01 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.66 2k45 n PRO 30 Cb 0.55 -2.38 -0.05 0.00 -0.02 0.00 0.00 33.50 31.59 2k45 n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k45 s ALA 31 N -1.29 3.61 -0.20 3.55 0.00 -1.26 -4.39 121.76 121.77 2k45 s ALA 31 Ca 0.67 -0.35 0.14 0.00 0.00 0.00 0.00 51.96 52.42 2k45 s ALA 31 Cb -0.46 -3.16 0.44 0.00 0.00 0.00 0.00 23.12 19.94 2k45 s ALA 31 CO 0.53 -0.92 1.19 1.28 0.00 0.00 0.00 175.76 177.83 2k45 n LEU 32 N 5.89 2.85 -3.99 0.00 4.77 -0.67 -4.82 117.00 121.02 2k45 n LEU 32 Ca 0.02 -3.67 -0.08 0.00 -0.03 0.00 0.00 56.01 52.25 2k45 n LEU 32 Cb 0.48 -0.26 -0.09 0.00 -2.33 0.00 0.00 43.42 41.22 2k45 n LEU 32 CO 0.46 1.38 -0.26 -0.62 -1.33 0.00 0.00 177.39 177.02 2k45 s ASP 33 N -3.17 0.33 -1.46 -1.43 2.15 -0.67 -4.77 116.67 107.64 2k45 s ASP 33 Ca 0.39 -0.82 -0.13 0.00 0.43 0.00 0.00 52.55 52.42 2k45 s ASP 33 Cb 0.38 0.24 0.04 0.00 -0.30 0.00 0.00 42.92 43.28 2k45 s ASP 33 CO -0.06 -0.62 2.29 0.80 -0.17 0.00 0.00 175.17 177.41 2k45 n MET 34 N 0.17 3.04 -0.04 4.34 0.00 -1.26 -2.69 117.12 120.69 2k45 n MET 34 Ca -0.15 -2.65 0.00 0.00 -0.00 0.00 0.00 57.70 54.90 2k45 n MET 34 Cb 0.61 -3.19 0.00 0.00 0.00 0.00 0.00 33.22 30.64 2k45 n MET 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k45 n GLY 35 N 3.89 0.10 3.68 -5.12 0.00 -1.26 -4.94 105.19 101.53 2k45 n GLY 35 Ca 0.54 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.29 2k45 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k45 n GLY 36 N 0.00 -0.51 3.29 -0.02 0.00 -1.10 -4.97 105.19 101.89 2k45 n GLY 36 Ca 0.00 0.18 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 2k45 n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k45 s THR 37 N -3.23 0.00 0.28 2.61 -4.23 -1.25 -4.84 115.64 104.97 2k45 s THR 37 Ca 0.58 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.16 2k45 s THR 37 Cb -0.28 -2.50 -0.06 0.00 1.34 0.00 0.00 72.50 71.00 2k45 s THR 37 CO 0.71 0.00 -0.08 -0.94 -0.54 0.00 0.00 174.62 173.77 2k45 s SER 38 N -3.38 2.92 -0.67 3.99 1.04 -1.26 -1.67 113.70 114.67 2k45 s SER 38 Ca 0.41 -1.16 0.05 0.00 0.48 0.00 0.00 55.95 55.74 2k45 s SER 38 Cb 0.02 -0.20 0.23 0.00 0.10 0.00 0.00 66.02 66.17 2k45 s SER 38 CO 0.29 -0.27 0.69 0.47 0.98 0.00 0.00 173.24 175.39 2k45 n ASP 39 N -0.59 3.62 -2.76 7.02 9.92 -1.25 -0.12 116.55 132.40 2k45 n ASP 39 Ca -0.06 -3.38 -0.27 0.00 -0.53 0.00 0.00 54.79 50.56 2k45 n ASP 39 Cb 0.63 -0.71 -0.00 0.00 -0.64 0.00 0.00 41.12 40.40 2k45 n ASP 39 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2k45 n PRO 40 N 1.17 0.00 -3.68 -0.24 -0.02 -1.00 -1.19 135.00 130.04 2k45 n PRO 40 Ca 0.27 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.60 2k45 n PRO 40 Cb 0.39 -0.64 -0.08 0.00 -0.02 0.00 0.00 33.50 33.15 2k45 n PRO 40 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2k45 s TYR 41 N -1.12 -0.44 -0.79 6.00 5.04 0.12 -0.75 117.35 125.41 2k45 s TYR 41 Ca 0.38 0.88 -0.21 0.00 -2.44 0.00 0.00 57.07 55.68 2k45 s TYR 41 Cb -0.39 0.21 0.09 0.00 0.35 0.00 0.00 41.96 42.22 2k45 s TYR 41 CO 0.41 -0.40 1.06 0.14 -1.34 0.00 0.00 175.55 175.42 2k45 s VAL 42 N -0.71 4.46 -0.15 3.14 -7.23 -1.26 -0.88 120.40 117.77 2k45 s VAL 42 Ca -0.08 -0.88 -0.02 0.00 -1.81 0.00 0.00 61.98 59.19 2k45 s VAL 42 Cb -0.03 -4.75 -0.02 0.00 0.56 0.00 0.00 36.38 32.14 2k45 s VAL 42 CO 0.04 -1.51 -0.07 -0.54 -0.31 0.00 0.00 175.10 172.71 2k45 s LYS 43 N 3.57 3.57 -0.03 4.82 -0.14 0.37 -4.04 119.74 127.86 2k45 s LYS 43 Ca 0.28 -0.58 -0.01 0.00 -1.36 0.00 0.00 55.97 54.30 2k45 s LYS 43 Cb -0.11 -2.82 0.03 0.00 -1.68 0.00 0.00 37.83 33.25 2k45 s LYS 43 CO 0.01 0.22 0.05 0.08 -0.76 0.00 0.00 175.35 174.95 2k45 s VAL 44 N 0.38 -0.05 0.26 3.17 1.01 -1.26 0.19 120.40 124.09 2k45 s VAL 44 Ca -0.06 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2k45 s VAL 44 Cb -0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 2k45 s VAL 44 CO 0.04 0.08 0.14 -0.36 0.00 0.00 0.00 175.10 175.00 2k45 s PHE 45 N 1.00 1.45 0.29 5.22 0.08 0.27 -4.49 117.98 121.80 2k45 s PHE 45 Ca -0.08 -1.35 0.03 0.00 0.12 0.00 0.00 56.93 55.66 2k45 s PHE 45 Cb -0.11 -0.76 -0.06 0.00 -0.57 0.00 0.00 43.02 41.52 2k45 s PHE 45 CO -0.03 -0.54 0.05 -0.51 -0.10 0.00 0.00 175.22 174.09 2k45 s LEU 46 N -3.29 2.10 1.22 -0.37 1.43 -1.26 -0.30 118.68 118.21 2k45 s LEU 46 Ca 0.38 -1.34 -0.20 0.00 -1.03 0.00 0.00 54.13 51.93 2k45 s LEU 46 Cb 0.06 -0.30 0.30 0.00 0.03 0.00 0.00 46.19 46.28 2k45 s LEU 46 CO 0.15 -0.60 1.13 -1.48 0.23 0.00 0.00 176.35 175.79 2k45 s LEU 47 N -3.42 0.69 0.17 1.79 0.05 -0.89 -4.54 118.68 112.53 2k45 s LEU 47 Ca 0.35 0.50 0.16 0.00 0.05 0.00 0.00 54.13 55.18 2k45 s LEU 47 Cb 0.08 -2.16 0.54 0.00 -2.05 0.00 0.00 46.19 42.59 2k45 s LEU 47 CO 0.14 -4.21 0.48 -2.65 -0.55 0.00 0.00 176.35 169.56 2k45 n PRO 48 N -4.80 -0.00 0.16 1.48 -0.02 -1.26 -0.92 135.00 129.64 2k45 n PRO 48 Ca 0.15 0.34 -0.06 0.00 -2.02 0.00 0.00 63.50 61.90 2k45 n PRO 48 Cb 0.60 -0.77 -0.03 0.00 -0.02 0.00 0.00 33.50 33.27 2k45 n PRO 48 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2k45 h ASP 49 N 0.00 -0.36 -4.59 2.55 3.58 -1.99 -3.48 116.42 112.14 2k45 h ASP 49 Ca 0.29 0.01 -0.19 0.00 0.42 0.00 0.00 57.03 57.56 2k45 h ASP 49 Cb 1.16 0.09 0.13 0.00 1.72 0.00 0.00 39.33 42.44 2k45 h ASP 49 CO -0.01 -0.19 -0.56 1.17 -2.88 0.00 0.00 179.24 176.78 2k45 n LYS 50 N -3.50 -2.59 -1.12 0.28 0.00 -0.10 -4.88 118.16 106.24 2k45 n LYS 50 Ca -0.05 0.58 -0.17 0.00 0.00 0.00 0.00 58.31 58.67 2k45 n LYS 50 Cb 0.17 -4.56 -0.08 0.00 0.00 0.00 0.00 35.03 30.56 2k45 n LYS 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2k45 n LYS 51 N -2.83 2.02 -3.55 1.64 4.76 -1.26 -4.84 118.16 114.10 2k45 n LYS 51 Ca -0.10 -1.50 -0.29 0.00 -2.87 0.00 0.00 58.31 53.55 2k45 n LYS 51 Cb 0.59 -1.90 -0.14 0.00 -1.84 0.00 0.00 35.03 31.74 2k45 n LYS 51 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2k45 s LYS 52 N -0.55 0.35 -0.42 1.97 2.20 -1.26 -1.64 119.74 120.39 2k45 s LYS 52 Ca 0.52 -0.80 -0.29 0.00 -0.36 0.00 0.00 55.97 55.04 2k45 s LYS 52 Cb 0.30 -1.32 0.01 0.00 -1.51 0.00 0.00 37.83 35.31 2k45 s LYS 52 CO -0.09 -1.06 1.42 0.21 -0.36 0.00 0.00 175.35 175.47 2k45 s LYS 53 N 1.79 3.55 0.15 4.03 2.20 -1.26 -4.89 119.74 125.31 2k45 s LYS 53 Ca 0.11 0.91 0.05 0.00 -0.36 0.00 0.00 55.97 56.69 2k45 s LYS 53 Cb -0.18 -4.04 -0.04 0.00 -1.51 0.00 0.00 37.83 32.07 2k45 s LYS 53 CO -0.27 -1.60 0.09 -0.59 -0.36 0.00 0.00 175.35 172.62 2k45 s PHE 54 N 5.51 3.07 -0.27 4.03 -0.71 -1.26 -4.75 117.98 123.60 2k45 s PHE 54 Ca 0.61 -0.04 -0.02 0.00 -1.04 0.00 0.00 56.93 56.44 2k45 s PHE 54 Cb -0.14 -1.49 0.16 0.00 -1.21 0.00 0.00 43.02 40.34 2k45 s PHE 54 CO 0.32 0.52 0.49 -1.21 -1.34 0.00 0.00 175.22 174.00 2k45 s GLU 55 N -2.94 0.46 0.35 1.99 2.02 -1.26 -4.72 118.70 114.60 2k45 s GLU 55 Ca 0.30 0.81 -0.04 0.00 0.02 0.00 0.00 54.97 56.05 2k45 s GLU 55 Cb -0.10 0.09 0.08 0.00 0.10 0.00 0.00 34.13 34.30 2k45 s GLU 55 CO 0.22 -0.60 0.48 0.25 0.02 0.00 0.00 175.26 175.62 2k45 n THR 56 N 5.40 0.00 -2.06 3.63 -2.24 -1.26 -4.48 114.28 113.27 2k45 n THR 56 Ca -0.03 -0.45 -0.42 0.00 -2.27 0.00 0.00 64.05 60.87 2k45 n THR 56 Cb 0.50 -1.61 -0.03 0.00 -2.10 0.00 0.00 70.33 67.09 2k45 n THR 56 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2k45 s LYS 57 N -3.92 4.20 -0.40 -0.78 -2.85 -1.26 -4.21 119.74 110.52 2k45 s LYS 57 Ca 0.28 2.13 -0.21 0.00 -1.00 0.00 0.00 55.97 57.17 2k45 s LYS 57 Cb -0.01 -3.89 0.01 0.00 -2.06 0.00 0.00 37.83 31.89 2k45 s LYS 57 CO 0.20 -0.79 0.65 0.54 0.10 0.00 0.00 175.35 176.04 2k45 s VAL 58 N 3.69 4.84 -0.38 1.79 0.11 -1.25 -1.92 120.40 127.27 2k45 s VAL 58 Ca 0.71 0.35 0.03 0.00 -2.93 0.00 0.00 61.98 60.13 2k45 s VAL 58 Cb -0.33 -4.16 0.11 0.00 -1.53 0.00 0.00 36.38 30.48 2k45 s VAL 58 CO 0.28 -0.48 0.13 -1.00 -3.33 0.00 0.00 175.10 170.70 2k45 s HIS 59 N 2.81 2.99 0.03 1.54 3.76 0.07 -4.89 115.29 121.60 2k45 s HIS 59 Ca 0.24 -2.70 -0.30 0.00 -0.15 0.00 0.00 55.06 52.14 2k45 s HIS 59 Cb -0.14 -2.52 -0.07 0.00 1.11 0.00 0.00 32.58 30.96 2k45 s HIS 59 CO 0.17 -0.87 1.56 -0.98 -0.85 0.00 0.00 174.74 173.78 2k45 s ARG 60 N 0.74 4.22 -0.69 1.40 1.04 -1.26 -2.39 118.95 122.01 2k45 s ARG 60 Ca 0.13 2.19 -0.01 0.00 -1.04 0.00 0.00 55.73 57.00 2k45 s ARG 60 Cb -0.21 -3.63 -0.01 0.00 -2.04 0.00 0.00 34.95 29.07 2k45 s ARG 60 CO -0.09 -0.69 0.58 1.63 -0.04 0.00 0.00 175.30 176.69 2k45 n LYS 61 N 5.68 -3.48 -3.62 3.89 4.76 -0.86 -4.96 118.16 119.57 2k45 n LYS 61 Ca 0.15 0.50 -0.04 0.00 -2.87 0.00 0.00 58.31 56.05 2k45 n LYS 61 Cb 0.42 -4.41 -0.06 0.00 -1.84 0.00 0.00 35.03 29.14 2k45 n LYS 61 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k45 s THR 62 N -3.21 -0.24 -0.41 -0.18 -1.32 0.83 -4.83 115.64 106.28 2k45 s THR 62 Ca 0.04 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.75 2k45 s THR 62 Cb -0.01 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2k45 s THR 62 CO 0.43 0.00 1.13 -0.07 -2.21 0.00 0.00 174.62 173.90 2k45 h LEU 63 N 7.03 0.00 -6.53 9.08 3.38 -1.83 -3.36 115.31 123.08 2k45 h LEU 63 Ca -0.26 -0.11 -0.60 0.00 0.09 0.00 0.00 57.88 57.00 2k45 h LEU 63 Cb 1.19 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.52 2k45 h LEU 63 CO 0.15 0.06 -0.68 -3.20 0.09 0.00 0.00 178.44 174.86 2k45 n ASN 64 N -2.42 2.68 -4.81 -0.43 4.05 -1.26 -0.55 115.26 112.52 2k45 n ASN 64 Ca 0.01 -3.17 -0.36 0.00 0.45 0.00 0.00 54.58 51.51 2k45 n ASN 64 Cb 0.50 -0.69 -0.06 0.00 1.23 0.00 0.00 39.78 40.76 2k45 n ASN 64 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2k45 s PRO 65 N -1.71 4.25 -0.26 1.20 0.04 -0.56 -4.83 135.00 133.13 2k45 s PRO 65 Ca 0.33 0.86 0.01 0.00 0.04 0.00 0.00 61.00 62.24 2k45 s PRO 65 Cb 0.07 -2.91 0.07 0.00 0.04 0.00 0.00 34.50 31.77 2k45 s PRO 65 CO -0.10 0.41 -0.01 0.54 0.04 0.00 0.00 177.00 177.88 2k45 s VAL 66 N -1.49 1.51 -0.14 -0.36 0.11 -1.26 0.31 120.40 119.08 2k45 s VAL 66 Ca 0.42 -1.41 -0.13 0.00 -2.93 0.00 0.00 61.98 57.93 2k45 s VAL 66 Cb -0.17 -1.90 -0.24 0.00 -1.53 0.00 0.00 36.38 32.54 2k45 s VAL 66 CO 0.21 -0.28 0.35 0.15 -3.33 0.00 0.00 175.10 172.20 2k45 h PHE 67 N 7.93 0.33 -5.49 1.54 3.04 0.22 -3.47 116.94 121.03 2k45 h PHE 67 Ca -0.15 -0.24 -0.13 0.00 3.98 0.00 0.00 57.97 61.42 2k45 h PHE 67 Cb 1.05 -0.01 0.08 0.00 2.56 0.00 0.00 35.95 39.63 2k45 h PHE 67 CO 0.46 1.66 -0.41 0.09 -2.02 0.00 0.00 178.31 178.09 2k45 n ASN 68 N -3.85 -7.14 -4.15 0.41 3.02 -0.24 -4.98 115.26 98.34 2k45 n ASN 68 Ca -0.31 -0.39 -0.32 0.00 -0.03 0.00 0.00 54.58 53.52 2k45 n ASN 68 Cb 0.91 -5.05 -0.16 0.00 -0.61 0.00 0.00 39.78 34.87 2k45 n ASN 68 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2k45 s GLU 69 N -3.75 2.96 -0.14 3.52 1.03 0.15 -4.80 118.70 117.67 2k45 s GLU 69 Ca 0.20 -0.83 -0.29 0.00 0.03 0.00 0.00 54.97 54.08 2k45 s GLU 69 Cb -0.03 -2.45 -0.01 0.00 -0.80 0.00 0.00 34.13 30.84 2k45 s GLU 69 CO 0.76 -0.08 1.01 1.14 -1.33 0.00 0.00 175.26 176.75 2k45 s GLN 70 N 0.99 4.37 -0.51 -4.83 1.03 -1.07 -3.02 119.66 116.61 2k45 s GLN 70 Ca -0.03 1.36 -0.22 0.00 0.04 0.00 0.00 55.36 56.52 2k45 s GLN 70 Cb -0.15 -3.57 0.05 0.00 0.03 0.00 0.00 33.01 29.37 2k45 s GLN 70 CO -0.06 -0.39 0.76 -0.06 -2.54 0.00 0.00 175.29 173.00 2k45 s PHE 71 N 2.32 2.94 -0.11 9.60 0.08 -1.26 -4.70 117.98 126.85 2k45 s PHE 71 Ca 0.47 -0.23 -0.21 0.00 0.12 0.00 0.00 56.93 57.08 2k45 s PHE 71 Cb -0.17 -3.74 -0.04 0.00 -0.57 0.00 0.00 43.02 38.50 2k45 s PHE 71 CO 0.15 -1.14 0.60 0.99 -0.10 0.00 0.00 175.22 175.71 2k45 s THR 72 N 3.22 5.10 -0.33 0.64 2.01 -1.26 -3.91 115.64 121.11 2k45 s THR 72 Ca 0.23 1.21 0.03 0.00 0.31 0.00 0.00 61.69 63.46 2k45 s THR 72 Cb -0.16 -3.93 0.10 0.00 0.01 0.00 0.00 72.50 68.52 2k45 s THR 72 CO 0.16 0.26 0.06 -0.36 -0.69 0.00 0.00 174.62 174.06 2k45 s PHE 73 N 0.89 3.18 -1.56 4.92 0.08 -0.15 -4.69 117.98 120.65 2k45 s PHE 73 Ca 0.31 -2.64 -0.12 0.00 0.12 0.00 0.00 56.93 54.61 2k45 s PHE 73 Cb -0.16 -2.58 -0.04 0.00 -0.57 0.00 0.00 43.02 39.67 2k45 s PHE 73 CO 0.14 -0.93 2.66 1.63 -0.10 0.00 0.00 175.22 178.62 2k45 n LYS 74 N 4.42 3.35 -3.86 0.44 4.76 -0.65 -1.98 118.16 124.64 2k45 n LYS 74 Ca 0.02 -2.36 -0.20 0.00 -2.87 0.00 0.00 58.31 52.90 2k45 n LYS 74 Cb 0.42 -3.00 -0.17 0.00 -1.84 0.00 0.00 35.03 30.44 2k45 n LYS 74 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2k45 s VAL 75 N 2.60 0.28 0.60 -0.18 1.01 -1.26 -4.71 120.40 118.74 2k45 s VAL 75 Ca 0.60 0.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.52 2k45 s VAL 75 Cb 0.16 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 36.08 2k45 s VAL 75 CO -0.07 0.21 0.94 -2.65 0.00 0.00 0.00 175.10 173.53 2k45 n PRO 76 N 4.73 0.87 -0.08 2.72 -0.02 -0.28 -4.21 135.00 138.73 2k45 n PRO 76 Ca -0.14 0.34 -0.04 0.00 -2.02 0.00 0.00 63.50 61.63 2k45 n PRO 76 Cb 0.50 -2.14 0.16 0.00 -0.02 0.00 0.00 33.50 32.01 2k45 n PRO 76 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2k45 h TYR 77 N 0.47 0.79 -0.73 6.00 3.20 -1.97 0.79 116.97 125.53 2k45 h TYR 77 Ca -0.48 -0.12 0.02 0.00 3.14 0.00 0.00 58.73 61.28 2k45 h TYR 77 Cb 1.37 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 39.39 2k45 h TYR 77 CO 0.37 0.77 0.48 0.66 -1.64 0.00 0.00 178.16 178.80 2k45 h SER 78 N 0.68 0.81 1.21 -2.11 4.64 -1.97 -2.46 113.55 114.35 2k45 h SER 78 Ca 0.13 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2k45 h SER 78 Cb 0.50 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2k45 h SER 78 CO 0.03 0.58 -0.59 -0.33 -0.87 0.00 0.00 176.83 175.64 2k45 h GLU 79 N 0.95 0.00 -0.32 4.77 3.07 -1.37 -3.31 114.58 118.36 2k45 h GLU 79 Ca 0.27 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.13 2k45 h GLU 79 Cb -0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 2k45 h GLU 79 CO -0.07 0.00 0.18 1.25 -1.40 0.00 0.00 179.01 178.98 2k45 h LEU 80 N 0.00 0.38 -0.81 1.33 6.46 0.10 -2.13 115.31 120.64 2k45 h LEU 80 Ca 0.00 -0.02 0.20 0.00 -0.12 0.00 0.00 57.88 57.94 2k45 h LEU 80 Cb 0.90 -0.09 -0.14 0.00 -0.73 0.00 0.00 40.66 40.60 2k45 h LEU 80 CO 0.00 0.30 0.10 1.23 -0.62 0.00 0.00 178.44 179.45 2k45 h GLY 81 N 0.49 1.06 1.38 3.75 0.00 -1.65 -0.81 103.07 107.29 2k45 h GLY 81 Ca 0.12 0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.40 2k45 h GLY 81 CO -0.02 -0.32 -0.17 -1.33 0.00 0.00 0.00 176.54 174.70 2k45 h GLY 82 N 0.15 0.78 -2.95 4.60 0.00 -1.65 -3.33 103.07 100.67 2k45 h GLY 82 Ca 0.47 -0.62 -0.50 0.00 0.00 0.00 0.00 47.33 46.68 2k45 h GLY 82 CO -0.67 0.57 0.05 0.54 0.00 0.00 0.00 176.54 177.03 2k45 s LYS 83 N -4.69 3.91 -0.15 4.80 -0.14 -0.31 -4.94 119.74 118.21 2k45 s LYS 83 Ca -0.09 0.53 0.00 0.00 -1.36 0.00 0.00 55.97 55.06 2k45 s LYS 83 Cb 0.14 -2.47 -0.00 0.00 -1.68 0.00 0.00 37.83 33.81 2k45 s LYS 83 CO 0.82 0.15 -0.16 0.95 -0.76 0.00 0.00 175.35 176.35 2k45 s THR 84 N -2.03 2.65 0.03 2.17 -4.23 -1.26 -1.61 115.64 111.35 2k45 s THR 84 Ca 0.52 -0.78 -0.12 0.00 -1.18 0.00 0.00 61.69 60.13 2k45 s THR 84 Cb -0.10 -2.11 -0.06 0.00 1.34 0.00 0.00 72.50 71.57 2k45 s THR 84 CO 0.21 0.52 0.38 -1.48 -0.54 0.00 0.00 174.62 173.71 2k45 s LEU 85 N 0.79 4.41 0.07 4.79 2.34 -1.25 -2.09 118.68 127.75 2k45 s LEU 85 Ca -0.06 0.84 0.07 0.00 0.06 0.00 0.00 54.13 55.05 2k45 s LEU 85 Cb -0.15 -2.72 -0.03 0.00 -0.56 0.00 0.00 46.19 42.73 2k45 s LEU 85 CO 0.00 0.26 -0.20 0.68 -1.06 0.00 0.00 176.35 176.04 2k45 s VAL 86 N -1.22 1.58 -0.03 1.48 -7.23 0.59 -2.39 120.40 113.18 2k45 s VAL 86 Ca 0.27 -1.34 -0.00 0.00 -1.81 0.00 0.00 61.98 59.09 2k45 s VAL 86 Cb -0.15 -1.42 0.03 0.00 0.56 0.00 0.00 36.38 35.40 2k45 s VAL 86 CO 0.15 0.03 0.04 -0.32 -0.31 0.00 0.00 175.10 174.68 2k45 s MET 87 N -1.56 -0.05 -0.16 4.82 0.00 -1.22 0.95 119.30 122.09 2k45 s MET 87 Ca 0.06 0.23 -0.03 0.00 0.00 0.00 0.00 55.69 55.95 2k45 s MET 87 Cb -0.09 -0.30 0.05 0.00 0.00 0.00 0.00 34.83 34.49 2k45 s MET 87 CO 0.03 -0.20 0.04 0.00 0.00 0.00 0.00 175.02 174.88 2k45 s ALA 88 N 1.31 0.82 -0.06 4.11 0.00 0.13 -1.41 121.76 126.66 2k45 s ALA 88 Ca -0.06 -0.47 -0.30 0.00 0.00 0.00 0.00 51.96 51.13 2k45 s ALA 88 Cb -0.13 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 2k45 s ALA 88 CO -0.03 -0.98 1.21 0.08 0.00 0.00 0.00 175.76 176.04 2k45 s VAL 89 N 1.94 4.24 0.06 0.00 1.01 -0.13 -0.48 120.40 127.04 2k45 s VAL 89 Ca 0.01 1.56 0.07 0.00 0.00 0.00 0.00 61.98 63.62 2k45 s VAL 89 Cb -0.16 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2k45 s VAL 89 CO -0.07 -0.01 -0.13 -0.47 0.00 0.00 0.00 175.10 174.41 2k45 s TYR 90 N 2.34 2.69 -0.34 5.22 5.04 -0.06 -2.04 117.35 130.20 2k45 s TYR 90 Ca 0.56 -0.18 -0.17 0.00 -2.44 0.00 0.00 57.07 54.84 2k45 s TYR 90 Cb -0.25 -1.47 -0.01 0.00 0.35 0.00 0.00 41.96 40.59 2k45 s TYR 90 CO 0.21 0.36 0.47 0.34 -1.34 0.00 0.00 175.55 175.59 2k45 s ASP 91 N -1.79 6.29 -0.71 4.32 -1.08 -1.26 0.14 116.67 122.57 2k45 s ASP 91 Ca 0.18 -0.04 -0.23 0.00 -0.52 0.00 0.00 52.55 51.94 2k45 s ASP 91 Cb -0.11 -2.25 0.07 0.00 -1.46 0.00 0.00 42.92 39.17 2k45 s ASP 91 CO 0.09 -0.43 1.05 0.12 0.52 0.00 0.00 175.17 176.53 2k45 s PHE 92 N 2.29 2.63 -2.32 -5.34 5.36 -0.33 -4.58 117.98 115.68 2k45 s PHE 92 Ca 0.17 -0.54 0.22 0.00 -0.96 0.00 0.00 56.93 55.82 2k45 s PHE 92 Cb -0.16 -4.37 0.52 0.00 -0.34 0.00 0.00 43.02 38.67 2k45 s PHE 92 CO 0.13 -1.73 1.44 -0.40 -1.46 0.00 0.00 175.22 173.20 2k45 n ASP 93 N 7.97 3.04 0.00 6.13 5.75 -1.26 -4.67 116.55 133.50 2k45 n ASP 93 Ca 0.01 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 2k45 n ASP 93 Cb 0.47 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 2k45 n ASP 93 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2k45 n ARG 94 N 1.20 -0.54 0.00 0.11 1.74 -1.26 -4.38 116.66 113.52 2k45 n ARG 94 Ca 0.19 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 2k45 n ARG 94 Cb 0.53 -4.52 0.00 0.00 -1.02 0.00 0.00 32.46 27.44 2k45 n ARG 94 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k45 n PHE 95 N -2.02 -0.07 -2.48 -1.55 7.35 -1.26 -5.13 117.46 112.30 2k45 n PHE 95 Ca 0.00 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.44 2k45 n PHE 95 Cb 0.14 0.26 0.13 0.00 0.35 0.00 0.00 39.48 40.36 2k45 n PHE 95 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2k45 s SER 96 N -1.48 3.99 -0.41 -2.13 1.04 -1.26 -5.01 113.70 108.43 2k45 s SER 96 Ca 0.00 -0.33 -0.29 0.00 0.48 0.00 0.00 55.95 55.81 2k45 s SER 96 Cb 0.00 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.22 2k45 s SER 96 CO 0.00 -2.12 1.29 -0.54 0.98 0.00 0.00 173.24 172.85 2k45 s LYS 97 N -5.32 3.70 0.02 4.02 1.02 -1.26 -4.75 119.74 117.17 2k45 s LYS 97 Ca 0.69 0.87 -0.21 0.00 0.02 0.00 0.00 55.97 57.34 2k45 s LYS 97 Cb -0.04 -3.95 -0.06 0.00 -0.52 0.00 0.00 37.83 33.26 2k45 s LYS 97 CO 0.47 -1.41 0.60 -1.01 -0.92 0.00 0.00 175.35 173.08 2k45 s HIS 98 N 4.87 3.72 0.21 3.18 3.76 -1.26 -5.07 115.29 124.71 2k45 s HIS 98 Ca 0.55 1.25 -0.30 0.00 -0.15 0.00 0.00 55.06 56.41 2k45 s HIS 98 Cb -0.12 -2.60 -0.08 0.00 1.11 0.00 0.00 32.58 30.89 2k45 s HIS 98 CO 0.30 0.41 1.17 -0.51 -0.85 0.00 0.00 174.74 175.26 2k45 s ASP 99 N -0.44 7.13 0.68 1.40 1.01 -1.26 -4.78 116.67 120.40 2k45 s ASP 99 Ca 0.31 2.25 -0.17 0.00 0.71 0.00 0.00 52.55 55.65 2k45 s ASP 99 Cb -0.19 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.13 2k45 s ASP 99 CO 0.18 -0.31 1.27 0.27 0.21 0.00 0.00 175.17 176.80 2k45 s ILE 100 N -0.40 2.06 0.04 0.77 -0.00 -1.26 -4.39 121.20 118.02 2k45 s ILE 100 Ca 0.50 0.04 -0.20 0.00 -0.00 0.00 0.00 60.65 60.99 2k45 s ILE 100 Cb -0.32 -2.90 -0.15 0.00 -0.00 0.00 0.00 42.46 39.09 2k45 s ILE 100 CO 0.38 -0.01 1.33 0.16 -0.00 0.00 0.00 174.94 176.80 2k45 h ILE 101 N 0.28 1.35 -2.26 8.37 3.07 -1.68 -3.36 117.51 123.28 2k45 h ILE 101 Ca -0.50 -1.36 0.21 0.00 1.55 0.00 0.00 64.86 64.76 2k45 h ILE 101 Cb 1.33 1.91 -0.07 0.00 -0.27 0.00 0.00 36.82 39.72 2k45 h ILE 101 CO 0.52 0.40 0.62 -0.83 -1.05 0.00 0.00 178.15 177.81 2k45 s GLY 102 N -3.48 -0.10 -0.12 0.16 0.00 -0.86 -3.63 107.32 99.28 2k45 s GLY 102 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 44.72 44.28 2k45 s GLY 102 CO 0.76 1.56 0.88 1.85 0.00 0.00 0.00 173.10 178.15 2k45 s GLU 103 N -2.55 0.77 -0.28 2.90 2.56 0.22 -0.96 118.70 121.37 2k45 s GLU 103 Ca 0.18 0.21 -0.19 0.00 0.00 0.00 0.00 54.97 55.18 2k45 s GLU 103 Cb -0.01 0.36 0.10 0.00 2.00 0.00 0.00 34.13 36.58 2k45 s GLU 103 CO 0.02 -0.23 0.80 0.12 -0.56 0.00 0.00 175.26 175.41 2k45 s PHE 104 N -1.08 -0.82 0.13 5.30 2.19 -0.50 0.40 117.98 123.60 2k45 s PHE 104 Ca -0.05 1.75 -0.01 0.00 0.33 0.00 0.00 56.93 58.95 2k45 s PHE 104 Cb -0.00 0.46 0.00 0.00 -1.31 0.00 0.00 43.02 42.17 2k45 s PHE 104 CO 0.05 -0.40 0.18 1.17 1.83 0.00 0.00 175.22 178.04 2k45 n LYS 105 N 3.58 0.26 -3.66 10.12 3.00 -1.26 -3.44 118.16 126.76 2k45 n LYS 105 Ca -0.17 -1.08 -0.12 0.00 -0.00 0.00 0.00 58.31 56.94 2k45 n LYS 105 Cb 0.57 1.03 -0.12 0.00 0.00 0.00 0.00 35.03 36.51 2k45 n LYS 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2k45 s VAL 106 N -2.57 -0.50 -0.04 3.15 0.11 -1.01 -4.93 120.40 114.61 2k45 s VAL 106 Ca 0.11 0.24 -0.39 0.00 -2.93 0.00 0.00 61.98 59.02 2k45 s VAL 106 Cb -0.00 -0.52 -0.17 0.00 -1.53 0.00 0.00 36.38 34.15 2k45 s VAL 106 CO 0.08 0.10 1.40 -0.81 -3.33 0.00 0.00 175.10 172.54 2k45 n PRO 107 N 5.37 0.91 0.23 1.54 -0.04 -1.26 -3.76 135.00 137.98 2k45 n PRO 107 Ca -0.07 0.33 0.14 0.00 -0.04 0.00 0.00 63.50 63.86 2k45 n PRO 107 Cb 0.50 -1.95 0.77 0.00 -0.04 0.00 0.00 33.50 32.78 2k45 n PRO 107 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2k45 h MET 108 N 4.90 0.00 -0.04 0.54 2.86 -1.51 -0.08 114.93 121.60 2k45 h MET 108 Ca -0.48 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.09 2k45 h MET 108 Cb 1.35 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.00 2k45 h MET 108 CO 0.81 0.00 -0.33 -2.95 1.06 0.00 0.00 176.91 175.50 2k45 h ASN 109 N 0.00 0.08 1.10 1.22 7.08 -1.61 -2.26 115.58 121.19 2k45 h ASN 109 Ca 0.05 -0.02 -0.02 0.00 -3.08 0.00 0.00 56.30 53.22 2k45 h ASN 109 Cb 0.23 -0.02 -0.00 0.00 -2.08 0.00 0.00 38.32 36.45 2k45 h ASN 109 CO -0.00 0.40 -0.91 0.71 -2.08 0.00 0.00 177.43 175.55 2k45 h THR 110 N 0.07 0.08 -3.55 6.14 1.35 -1.36 -3.44 112.91 112.20 2k45 h THR 110 Ca 0.01 -1.15 -0.62 0.00 -0.55 0.00 0.00 66.41 64.10 2k45 h THR 110 Cb 0.61 1.65 -0.12 0.00 -1.73 0.00 0.00 68.15 68.56 2k45 h THR 110 CO 0.04 0.05 0.29 -0.69 -0.25 0.00 0.00 175.52 174.96 2k45 s VAL 111 N -3.28 4.79 -0.44 6.82 1.01 -0.85 -5.01 120.40 123.44 2k45 s VAL 111 Ca 0.00 0.74 -0.27 0.00 0.00 0.00 0.00 61.98 62.46 2k45 s VAL 111 Cb 0.09 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.32 2k45 s VAL 111 CO 0.78 -0.41 1.01 -0.62 0.00 0.00 0.00 175.10 175.85 2k45 s ASP 112 N 1.84 6.61 -1.11 3.32 2.15 -1.26 -4.89 116.67 123.33 2k45 s ASP 112 Ca 0.29 0.40 -0.04 0.00 0.43 0.00 0.00 52.55 53.63 2k45 s ASP 112 Cb -0.14 -2.49 0.28 0.00 -0.30 0.00 0.00 42.92 40.27 2k45 s ASP 112 CO 0.16 -1.06 1.69 0.49 -0.17 0.00 0.00 175.17 176.28 2k45 n PHE 113 N 7.28 2.48 -0.03 -5.34 3.01 -1.26 -4.72 117.46 118.88 2k45 n PHE 113 Ca 0.09 -2.60 -0.11 0.00 1.01 0.00 0.00 57.45 55.83 2k45 n PHE 113 Cb 0.48 -1.36 -0.10 0.00 -0.01 0.00 0.00 39.48 38.50 2k45 n PHE 113 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2k45 h GLY 114 N 5.38 -0.05 0.00 1.37 0.00 -1.99 -3.45 103.07 104.33 2k45 h GLY 114 Ca 0.35 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2k45 h GLY 114 CO 1.34 -0.02 0.00 1.42 0.00 0.00 0.00 176.54 179.28 2k45 n HIS 115 N -4.73 0.00 -4.24 5.60 8.25 -1.26 -4.98 115.22 113.86 2k45 n HIS 115 Ca -0.08 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.04 2k45 n HIS 115 Cb 0.34 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.31 2k45 n HIS 115 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2k45 s VAL 116 N 1.86 3.19 -0.54 1.59 1.01 -1.26 -3.84 120.40 122.41 2k45 s VAL 116 Ca 0.00 -0.58 -0.24 0.00 0.00 0.00 0.00 61.98 61.16 2k45 s VAL 116 Cb 0.00 -2.41 0.04 0.00 0.00 0.00 0.00 36.38 34.01 2k45 s VAL 116 CO 0.00 0.47 0.93 -0.89 0.00 0.00 0.00 175.10 175.61 2k45 s THR 117 N 1.01 4.41 -0.20 3.92 2.01 0.57 -4.88 115.64 122.48 2k45 s THR 117 Ca -0.00 0.30 -0.02 0.00 0.31 0.00 0.00 61.69 62.28 2k45 s THR 117 Cb -0.15 -4.53 0.00 0.00 0.01 0.00 0.00 72.50 67.84 2k45 s THR 117 CO -0.01 -1.08 -0.10 -1.83 -0.69 0.00 0.00 174.62 170.91 2k45 s GLU 118 N 3.90 3.25 0.06 4.92 4.04 -1.26 0.00 118.70 133.62 2k45 s GLU 118 Ca 0.31 -0.70 -0.22 0.00 0.04 0.00 0.00 54.97 54.40 2k45 s GLU 118 Cb -0.12 -2.84 0.05 0.00 0.02 0.00 0.00 34.13 31.24 2k45 s GLU 118 CO 0.20 -0.17 0.51 -1.83 -1.84 0.00 0.00 175.26 172.13 2k45 s GLU 119 N 1.33 1.05 -0.53 -4.83 -1.05 -0.60 -4.95 118.70 109.11 2k45 s GLU 119 Ca 0.04 -0.29 -0.20 0.00 -0.15 0.00 0.00 54.97 54.36 2k45 s GLU 119 Cb -0.14 0.48 0.06 0.00 -0.44 0.00 0.00 34.13 34.09 2k45 s GLU 119 CO -0.06 -0.39 0.71 -1.58 0.95 0.00 0.00 175.26 174.90 2k45 s TRP 120 N -2.65 2.97 -0.13 4.83 0.23 -1.26 -2.41 118.94 120.52 2k45 s TRP 120 Ca -0.04 -0.46 -0.01 0.00 -2.03 0.00 0.00 56.10 53.56 2k45 s TRP 120 Cb -0.00 -3.72 -0.02 0.00 0.03 0.00 0.00 33.47 29.75 2k45 s TRP 120 CO -0.03 -1.15 -0.10 0.50 0.96 0.00 0.00 176.95 177.13 2k45 s ARG 121 N 2.98 3.42 -0.15 4.98 6.06 -0.50 -4.91 118.95 130.83 2k45 s ARG 121 Ca 0.18 -0.62 -0.12 0.00 -2.50 0.00 0.00 55.73 52.66 2k45 s ARG 121 Cb -0.18 -2.71 -0.05 0.00 0.06 0.00 0.00 34.95 32.07 2k45 s ARG 121 CO 0.13 0.26 0.26 0.16 -2.50 0.00 0.00 175.30 173.61 2k45 s ASP 122 N 0.26 6.43 -0.52 -2.12 -4.77 -1.26 0.12 116.67 114.80 2k45 s ASP 122 Ca -0.07 0.50 -0.21 0.00 -3.30 0.00 0.00 52.55 49.47 2k45 s ASP 122 Cb -0.15 -2.16 0.05 0.00 -1.09 0.00 0.00 42.92 39.57 2k45 s ASP 122 CO 0.04 0.17 0.73 -0.76 0.70 0.00 0.00 175.17 176.05 2k45 s LEU 123 N 0.14 4.69 0.22 2.11 1.43 -0.34 -4.44 118.68 122.49 2k45 s LEU 123 Ca 0.16 -0.74 -0.30 0.00 -1.03 0.00 0.00 54.13 52.21 2k45 s LEU 123 Cb -0.13 -2.56 -0.08 0.00 0.03 0.00 0.00 46.19 43.44 2k45 s LEU 123 CO 0.04 -1.01 0.98 0.00 0.23 0.00 0.00 176.35 176.59 2k45 s GLN 124 N 3.07 4.78 -0.44 1.70 -2.07 0.16 -3.27 119.66 123.59 2k45 s GLN 124 Ca 0.20 1.55 -0.28 0.00 -1.82 0.00 0.00 55.36 55.00 2k45 s GLN 124 Cb -0.17 -3.28 0.01 0.00 -1.09 0.00 0.00 33.01 28.47 2k45 s GLN 124 CO 0.14 0.39 1.49 0.45 -1.32 0.00 0.00 175.29 176.44 2k45 s SER 125 N -0.87 6.18 -0.09 12.60 0.15 -1.25 0.73 113.70 131.15 2k45 s SER 125 Ca 0.43 0.76 -0.11 0.00 0.70 0.00 0.00 55.95 57.73 2k45 s SER 125 Cb -0.27 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.46 2k45 s SER 125 CO 0.33 -1.57 0.26 0.00 1.20 0.00 0.00 173.24 173.46 2k45 s ALA 126 N 5.92 3.76 -1.12 5.45 0.00 -1.24 -4.80 121.76 129.74 2k45 s ALA 126 Ca 0.62 -0.47 -0.09 0.00 0.00 0.00 0.00 51.96 52.03 2k45 s ALA 126 Cb -0.14 -2.19 0.28 0.00 0.00 0.00 0.00 23.12 21.06 2k45 s ALA 126 CO 0.31 0.46 1.17 -1.91 0.00 0.00 0.00 175.76 175.79 2k45 n GLU 127 N 2.27 3.63 0.00 0.00 4.07 -1.26 -4.31 120.64 125.04 2k45 n GLU 127 Ca -0.16 -4.44 0.00 0.00 -0.06 0.00 0.00 57.16 52.50 2k45 n GLU 127 Cb 0.53 -2.57 0.00 0.00 -0.06 0.00 0.00 31.44 29.35 2k45 n GLU 127 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70