#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kqn s ILE 2 N 0.00 5.26 -0.08 2.12 1.01 -1.26 -4.88 121.20 123.36 2kqn s ILE 2 Ca 0.00 0.55 -0.23 0.00 0.00 0.00 0.00 60.65 60.97 2kqn s ILE 2 Cb 0.00 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 2kqn s ILE 2 CO 0.00 0.30 0.71 -1.58 0.00 0.00 0.00 174.94 174.36 2kqn s GLN 3 N 1.12 4.41 -0.38 2.79 0.74 -1.26 -4.58 119.66 122.51 2kqn s GLN 3 Ca 0.16 0.87 -0.04 0.00 0.05 0.00 0.00 55.36 56.40 2kqn s GLN 3 Cb -0.14 -3.46 0.08 0.00 1.10 0.00 0.00 33.01 30.59 2kqn s GLN 3 CO 0.06 0.02 0.15 -1.64 -0.55 0.00 0.00 175.29 173.33 2kqn s MET 4 N 0.96 2.25 -0.17 1.67 -1.94 -1.26 -1.80 119.30 119.01 2kqn s MET 4 Ca 0.37 -1.57 -0.10 0.00 -1.71 0.00 0.00 55.69 52.68 2kqn s MET 4 Cb -0.18 -3.50 -0.05 0.00 2.01 0.00 0.00 34.83 33.12 2kqn s MET 4 CO 0.17 -0.90 0.17 0.99 -0.01 0.00 0.00 175.02 175.44 2kqn s THR 5 N 1.23 5.40 -0.01 2.05 2.01 0.42 -4.50 115.64 122.24 2kqn s THR 5 Ca 0.03 0.27 0.08 0.00 0.31 0.00 0.00 61.69 62.38 2kqn s THR 5 Cb -0.22 -3.49 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 2kqn s THR 5 CO -0.02 0.47 -0.24 -1.10 -0.69 0.00 0.00 174.62 173.04 2kqn s GLN 6 N 0.06 2.12 -0.01 4.92 -0.21 -1.26 0.05 119.66 125.32 2kqn s GLN 6 Ca 0.11 -0.93 -0.04 0.00 0.02 0.00 0.00 55.36 54.52 2kqn s GLN 6 Cb -0.12 -2.08 -0.00 0.00 1.00 0.00 0.00 33.01 31.81 2kqn s GLN 6 CO 0.01 0.56 0.09 -1.12 -2.12 0.00 0.00 175.29 172.70 2kqn s SER 7 N -0.75 0.03 0.98 5.90 0.01 -0.85 -4.60 113.70 114.42 2kqn s SER 7 Ca 0.11 -0.13 -0.16 0.00 1.31 0.00 0.00 55.95 57.08 2kqn s SER 7 Cb -0.10 0.18 0.20 0.00 0.21 0.00 0.00 66.02 66.51 2kqn s SER 7 CO -0.00 -0.24 1.29 -2.16 0.41 0.00 0.00 173.24 172.54 2kqn s PRO 8 N -0.90 0.54 0.22 12.44 0.04 -1.26 -1.43 135.00 144.66 2kqn s PRO 8 Ca -0.10 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 60.62 2kqn s PRO 8 Cb -0.06 -1.83 0.22 0.00 0.04 0.00 0.00 34.50 32.88 2kqn s PRO 8 CO 0.00 -2.49 1.57 0.66 0.04 0.00 0.00 177.00 176.79 2kqn h SER 9 N -1.70 0.50 -3.44 6.66 4.64 -1.80 -3.35 113.55 115.06 2kqn h SER 9 Ca -0.45 -0.24 0.04 0.00 -0.47 0.00 0.00 61.79 60.67 2kqn h SER 9 Cb 1.25 -0.14 -0.25 0.00 -0.31 0.00 0.00 62.40 62.95 2kqn h SER 9 CO 0.40 0.90 0.40 -0.94 -0.87 0.00 0.00 176.83 176.73 2kqn s SER 10 N -6.89 -0.50 -0.06 4.97 1.04 -1.26 -1.30 113.70 109.70 2kqn s SER 10 Ca -0.06 0.92 -0.16 0.00 0.48 0.00 0.00 55.95 57.13 2kqn s SER 10 Cb 0.12 0.92 0.03 0.00 0.10 0.00 0.00 66.02 67.19 2kqn s SER 10 CO 0.82 -0.19 0.38 -1.48 0.98 0.00 0.00 173.24 173.74 2kqn s LEU 11 N 0.12 0.58 -0.22 2.42 2.34 -0.47 -4.92 118.68 118.53 2kqn s LEU 11 Ca 0.02 0.39 -0.05 0.00 0.06 0.00 0.00 54.13 54.55 2kqn s LEU 11 Cb -0.05 1.42 -0.02 0.00 -0.56 0.00 0.00 46.19 46.99 2kqn s LEU 11 CO -0.04 -0.36 -0.01 -0.44 -1.06 0.00 0.00 176.35 174.44 2kqn s SER 12 N -0.79 4.61 -0.07 1.48 0.01 -1.26 -1.91 113.70 115.76 2kqn s SER 12 Ca -0.09 -0.30 0.03 0.00 1.31 0.00 0.00 55.95 56.90 2kqn s SER 12 Cb -0.04 -1.80 0.01 0.00 0.21 0.00 0.00 66.02 64.40 2kqn s SER 12 CO 0.04 0.00 -0.17 0.00 0.41 0.00 0.00 173.24 173.52 2kqn s ALA 13 N 1.36 1.63 0.42 1.44 0.00 0.17 -4.60 121.76 122.17 2kqn s ALA 13 Ca 0.04 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.34 2kqn s ALA 13 Cb -0.15 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 2kqn s ALA 13 CO -0.00 0.20 0.66 0.45 0.00 0.00 0.00 175.76 177.07 2kqn s SER 14 N 0.45 6.16 -0.31 0.00 0.15 -1.26 -3.54 113.70 115.35 2kqn s SER 14 Ca -0.15 0.56 -0.41 0.00 0.70 0.00 0.00 55.95 56.65 2kqn s SER 14 Cb -0.16 -1.97 -0.16 0.00 -1.71 0.00 0.00 66.02 62.02 2kqn s SER 14 CO 0.05 -0.49 1.73 0.52 1.20 0.00 0.00 173.24 176.25 2kqn n VAL 15 N -2.01 0.28 0.00 4.45 0.31 -1.26 0.07 118.33 120.17 2kqn n VAL 15 Ca -0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2kqn n VAL 15 Cb 0.56 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 2kqn n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kqn n GLY 16 N 4.20 2.86 3.82 2.92 0.00 -0.20 -4.86 105.19 113.93 2kqn n GLY 16 Ca 0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 2kqn n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kqn s ASP 17 N -1.42 6.98 -0.22 1.61 1.01 0.11 -4.54 116.67 120.20 2kqn s ASP 17 Ca 0.00 1.69 -0.10 0.00 0.71 0.00 0.00 52.55 54.85 2kqn s ASP 17 Cb 0.00 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 2kqn s ASP 17 CO 0.00 -0.32 0.14 -0.60 0.21 0.00 0.00 175.17 174.59 2kqn s ARG 18 N -3.05 4.09 -0.09 8.23 3.52 -1.26 -0.77 118.95 129.61 2kqn s ARG 18 Ca 0.60 -0.27 -0.00 0.00 -0.13 0.00 0.00 55.73 55.93 2kqn s ARG 18 Cb -0.10 -3.46 -0.03 0.00 -1.56 0.00 0.00 34.95 29.80 2kqn s ARG 18 CO 0.14 0.15 -0.07 0.08 -0.81 0.00 0.00 175.30 174.79 2kqn s VAL 19 N 0.79 3.63 -0.19 7.11 1.01 0.23 -4.93 120.40 128.03 2kqn s VAL 19 Ca 0.07 -0.49 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 2kqn s VAL 19 Cb -0.13 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.76 2kqn s VAL 19 CO 0.02 0.56 -0.15 -0.89 0.00 0.00 0.00 175.10 174.64 2kqn s THR 20 N -0.39 2.44 -0.03 3.92 2.01 -1.26 -0.47 115.64 121.86 2kqn s THR 20 Ca 0.05 -0.82 0.08 0.00 0.31 0.00 0.00 61.69 61.31 2kqn s THR 20 Cb -0.12 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 2kqn s THR 20 CO 0.02 0.50 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.56 2kqn s ILE 21 N 1.34 2.08 -0.03 1.82 1.01 0.12 -4.55 121.20 123.00 2kqn s ILE 21 Ca 0.05 -1.09 0.05 0.00 0.00 0.00 0.00 60.65 59.66 2kqn s ILE 21 Cb -0.13 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 2kqn s ILE 21 CO -0.10 0.58 -0.17 -0.89 0.00 0.00 0.00 174.94 174.35 2kqn s THR 22 N -0.54 1.41 -0.10 2.92 2.01 -0.51 0.20 115.64 121.04 2kqn s THR 22 Ca 0.08 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.36 2kqn s THR 22 Cb -0.11 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.20 2kqn s THR 22 CO -0.00 0.40 -0.19 0.00 -0.69 0.00 0.00 174.62 174.14 2kqn s GLN 24 N 0.10 2.19 -0.14 0.00 -0.21 0.11 -0.78 119.66 120.92 2kqn s GLN 24 Ca -0.09 -0.53 -0.07 0.00 0.02 0.00 0.00 55.36 54.69 2kqn s GLN 24 Cb -0.15 -1.94 -0.04 0.00 1.00 0.00 0.00 33.01 31.88 2kqn s GLN 24 CO 0.06 -0.14 0.09 0.00 -2.12 0.00 0.00 175.29 173.17 2kqn s ALA 25 N 1.22 3.60 0.20 6.09 0.00 0.24 -0.44 121.76 132.67 2kqn s ALA 25 Ca -0.02 -0.71 0.33 0.00 0.00 0.00 0.00 51.96 51.56 2kqn s ALA 25 Cb -0.14 -1.89 1.42 0.00 0.00 0.00 0.00 23.12 22.51 2kqn s ALA 25 CO -0.05 0.42 2.01 0.77 0.00 0.00 0.00 175.76 178.91 2kqn h SER 26 N 5.75 0.00 -4.46 0.00 0.02 -1.69 -3.43 113.55 109.75 2kqn h SER 26 Ca -0.47 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.16 2kqn h SER 26 Cb 1.19 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.50 2kqn h SER 26 CO 0.64 0.05 -0.75 -1.58 -1.14 0.00 0.00 176.83 174.05 2kqn s GLN 27 N -3.77 0.59 0.55 3.45 0.74 -1.26 -4.95 119.66 115.00 2kqn s GLN 27 Ca -0.00 -0.62 -0.15 0.00 0.05 0.00 0.00 55.36 54.64 2kqn s GLN 27 Cb 0.10 -0.46 -0.06 0.00 1.10 0.00 0.00 33.01 33.69 2kqn s GLN 27 CO 0.55 0.10 1.01 0.16 -0.55 0.00 0.00 175.29 176.56 2kqn s ASP 28 N -1.14 6.41 -0.08 6.67 -4.77 -1.26 -4.75 116.67 117.74 2kqn s ASP 28 Ca -0.05 1.56 0.12 0.00 -3.30 0.00 0.00 52.55 50.88 2kqn s ASP 28 Cb -0.08 -2.50 0.21 0.00 -1.09 0.00 0.00 42.92 39.46 2kqn s ASP 28 CO 0.00 -0.73 1.10 2.30 0.70 0.00 0.00 175.17 178.54 2kqn n ILE 29 N -1.94 1.08 0.00 2.11 -5.35 -1.06 -4.96 119.36 109.24 2kqn n ILE 29 Ca 0.07 -1.43 0.00 0.00 -0.27 0.00 0.00 62.75 61.11 2kqn n ILE 29 Cb 0.54 0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.57 2kqn n ILE 29 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2kqn n ASN 30 N -0.73 0.00 -0.09 7.28 5.03 -1.26 -0.98 115.26 124.51 2kqn n ASN 30 Ca 0.10 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.55 2kqn n ASN 30 Cb 0.71 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.47 2kqn n ASN 30 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 2kqn n ASN 31 N 1.69 0.00 -4.49 6.41 6.94 -1.26 -0.38 115.26 124.16 2kqn n ASN 31 Ca 0.00 -0.91 -0.44 0.00 -0.02 0.00 0.00 54.58 53.21 2kqn n ASN 31 Cb 0.00 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2kqn n ASN 31 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2kqn s TYR 32 N 0.00 3.24 0.04 -2.53 2.02 -0.16 -3.03 117.35 116.94 2kqn s TYR 32 Ca 0.00 -1.86 0.05 0.00 -0.37 0.00 0.00 57.07 54.89 2kqn s TYR 32 Cb 0.00 -4.43 -0.02 0.00 -0.40 0.00 0.00 41.96 37.11 2kqn s TYR 32 CO 0.00 -1.53 -0.14 -1.17 -1.57 0.00 0.00 175.55 171.14 2kqn s LEU 33 N 2.50 2.18 0.00 -1.29 2.96 -1.26 -2.43 118.68 121.33 2kqn s LEU 33 Ca 0.44 -0.47 0.07 0.00 -0.22 0.00 0.00 54.13 53.95 2kqn s LEU 33 Cb -0.01 -0.61 -0.02 0.00 0.50 0.00 0.00 46.19 46.04 2kqn s LEU 33 CO 0.00 0.03 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.23 2kqn s ILE 34 N -0.87 1.64 -0.12 6.68 1.01 0.10 -0.50 121.20 129.15 2kqn s ILE 34 Ca 0.02 -0.97 -0.02 0.00 0.00 0.00 0.00 60.65 59.68 2kqn s ILE 34 Cb -0.08 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 2kqn s ILE 34 CO 0.01 0.39 -0.06 0.26 0.00 0.00 0.00 174.94 175.55 2kqn s TRP 35 N -0.57 2.97 0.20 3.97 0.52 0.21 -0.32 118.94 125.91 2kqn s TRP 35 Ca 0.08 -0.21 0.08 0.00 0.02 0.00 0.00 56.10 56.07 2kqn s TRP 35 Cb -0.08 -1.85 -0.05 0.00 -1.15 0.00 0.00 33.47 30.34 2kqn s TRP 35 CO -0.00 0.09 -0.16 0.71 0.02 0.00 0.00 176.95 177.61 2kqn s TYR 36 N -0.10 1.80 -0.17 -1.98 1.51 0.37 -0.30 117.35 118.48 2kqn s TYR 36 Ca 0.01 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 55.57 2kqn s TYR 36 Cb -0.13 -0.85 0.03 0.00 -0.11 0.00 0.00 41.96 40.90 2kqn s TYR 36 CO 0.03 0.39 -0.14 -1.14 -1.11 0.00 0.00 175.55 173.57 2kqn s GLN 37 N -3.35 2.37 -0.46 -0.62 0.74 0.65 -2.06 119.66 116.94 2kqn s GLN 37 Ca 0.21 -0.70 -0.12 0.00 0.05 0.00 0.00 55.36 54.80 2kqn s GLN 37 Cb -0.03 -2.29 0.09 0.00 1.10 0.00 0.00 33.01 31.88 2kqn s GLN 37 CO 0.08 -0.29 0.34 -1.14 -0.55 0.00 0.00 175.29 173.73 2kqn s GLN 38 N 1.42 2.74 -0.31 1.67 -0.44 0.10 -0.28 119.66 124.57 2kqn s GLN 38 Ca 0.03 -1.49 -0.11 0.00 -2.50 0.00 0.00 55.36 51.28 2kqn s GLN 38 Cb -0.14 -3.96 -0.03 0.00 -1.64 0.00 0.00 33.01 27.24 2kqn s GLN 38 CO -0.10 -1.05 0.20 0.15 0.50 0.00 0.00 175.29 174.99 2kqn s LYS 39 N 1.50 3.67 -0.18 1.67 1.02 -1.26 -2.02 119.74 124.14 2kqn s LYS 39 Ca 0.04 -0.51 -0.37 0.00 0.02 0.00 0.00 55.97 55.15 2kqn s LYS 39 Cb -0.25 -3.69 -0.13 0.00 -0.52 0.00 0.00 37.83 33.24 2kqn s LYS 39 CO 0.03 -0.32 1.84 -2.30 -0.92 0.00 0.00 175.35 173.68 2kqn n PRO 40 N 5.06 1.72 0.00 -1.68 -0.02 -1.26 -2.17 135.00 136.64 2kqn n PRO 40 Ca -0.14 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2kqn n PRO 40 Cb 0.51 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 2kqn n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kqn n GLY 41 N 4.39 0.94 3.38 -1.23 0.00 -1.26 -5.09 105.19 106.32 2kqn n GLY 41 Ca 0.25 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.08 2kqn n GLY 41 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kqn s GLN 42 N 0.00 1.44 0.48 1.61 -2.07 -0.92 -5.13 119.66 115.06 2kqn s GLN 42 Ca 0.00 -1.72 -0.22 0.00 -1.82 0.00 0.00 55.36 51.60 2kqn s GLN 42 Cb 0.00 -0.91 -0.07 0.00 -1.09 0.00 0.00 33.01 30.93 2kqn s GLN 42 CO 0.00 -0.01 1.13 0.00 -1.32 0.00 0.00 175.29 175.09 2kqn s ALA 43 N -3.19 2.90 0.19 2.60 0.00 -1.26 -4.61 121.76 118.39 2kqn s ALA 43 Ca 0.28 0.84 -0.32 0.00 0.00 0.00 0.00 51.96 52.76 2kqn s ALA 43 Cb 0.04 -3.35 -0.15 0.00 0.00 0.00 0.00 23.12 19.67 2kqn s ALA 43 CO 0.10 -0.60 1.27 -0.35 0.00 0.00 0.00 175.76 176.18 2kqn n PRO 44 N -0.71 1.50 -3.38 0.00 -0.04 -1.26 -4.81 135.00 126.29 2kqn n PRO 44 Ca 0.08 0.53 -0.37 0.00 -0.04 0.00 0.00 63.50 63.70 2kqn n PRO 44 Cb 0.49 -2.10 -0.06 0.00 -0.04 0.00 0.00 33.50 31.79 2kqn n PRO 44 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2kqn s LYS 45 N -0.32 4.31 -0.13 0.54 2.20 0.61 -4.87 119.74 122.09 2kqn s LYS 45 Ca 0.72 0.34 -0.29 0.00 -0.36 0.00 0.00 55.97 56.37 2kqn s LYS 45 Cb -0.78 -3.43 -0.02 0.00 -1.51 0.00 0.00 37.83 32.09 2kqn s LYS 45 CO 0.51 0.19 1.24 -1.17 -0.36 0.00 0.00 175.35 175.75 2kqn s LEU 46 N 0.56 4.21 -0.15 5.43 0.20 -1.26 -0.25 118.68 127.42 2kqn s LEU 46 Ca 0.23 1.73 -0.04 0.00 0.69 0.00 0.00 54.13 56.74 2kqn s LEU 46 Cb -0.14 -3.54 -0.08 0.00 -0.43 0.00 0.00 46.19 41.99 2kqn s LEU 46 CO 0.08 -0.70 -0.16 -0.11 -0.29 0.00 0.00 176.35 175.17 2kqn n LEU 47 N 6.11 1.94 -3.98 -0.68 7.94 0.59 -4.87 117.00 124.04 2kqn n LEU 47 Ca 0.13 0.07 -0.16 0.00 -1.11 0.00 0.00 56.01 54.94 2kqn n LEU 47 Cb 0.45 -0.47 -0.14 0.00 0.53 0.00 0.00 43.42 43.79 2kqn n LEU 47 CO 0.55 0.51 -0.41 -0.63 -1.11 0.00 0.00 177.39 176.31 2kqn s ILE 48 N -2.28 0.48 0.22 1.96 1.01 -1.02 -2.17 121.20 119.40 2kqn s ILE 48 Ca -0.20 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.11 2kqn s ILE 48 Cb 0.07 -0.42 -0.05 0.00 0.01 0.00 0.00 42.46 42.06 2kqn s ILE 48 CO 0.30 0.06 0.00 -0.72 0.00 0.00 0.00 174.94 174.58 2kqn s TYR 49 N -0.31 1.47 -2.00 3.97 -0.85 0.99 0.65 117.35 121.27 2kqn s TYR 49 Ca 0.01 -0.96 0.00 0.00 -0.52 0.00 0.00 57.07 55.59 2kqn s TYR 49 Cb -0.03 -0.85 0.00 0.00 0.38 0.00 0.00 41.96 41.46 2kqn s TYR 49 CO -0.00 -0.10 0.00 -3.47 -1.52 0.00 0.00 175.55 170.46 2kqn n ASP 50 N -0.37 -5.53 0.00 -0.18 2.03 -0.49 -0.81 116.55 111.19 2kqn n ASP 50 Ca -0.05 0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.59 2kqn n ASP 50 Cb 0.64 -4.73 0.00 0.00 -0.72 0.00 0.00 41.12 36.31 2kqn n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kqn n ALA 51 N 0.28 0.00 0.21 -1.67 0.00 0.35 -4.26 120.51 115.42 2kqn n ALA 51 Ca -0.21 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.26 2kqn n ALA 51 Cb 0.67 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.16 2kqn n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2kqn n SER 52 N 1.68 1.78 -4.55 0.00 3.41 -1.22 -4.12 113.62 110.59 2kqn n SER 52 Ca 0.00 -1.43 -0.34 0.00 -0.26 0.00 0.00 58.87 56.84 2kqn n SER 52 Cb 0.00 -0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 63.81 2kqn n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2kqn s THR 53 N -0.66 4.31 0.16 6.66 2.01 0.01 -4.65 115.64 123.47 2kqn s THR 53 Ca 0.09 -0.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.59 2kqn s THR 53 Cb 0.06 -2.93 -0.07 0.00 0.01 0.00 0.00 72.50 69.58 2kqn s THR 53 CO 0.09 0.47 0.94 -0.76 -0.69 0.00 0.00 174.62 174.67 2kqn s LEU 54 N 0.48 4.56 0.52 4.42 1.02 -1.26 -0.01 118.68 128.41 2kqn s LEU 54 Ca -0.00 1.84 -0.20 0.00 0.02 0.00 0.00 54.13 55.79 2kqn s LEU 54 Cb -0.13 -3.58 -0.06 0.00 0.02 0.00 0.00 46.19 42.43 2kqn s LEU 54 CO 0.02 0.03 1.15 -0.70 0.02 0.00 0.00 176.35 176.87 2kqn s GLU 55 N -0.48 3.43 -0.03 1.70 2.56 -0.92 -4.88 118.70 120.07 2kqn s GLU 55 Ca 0.44 1.69 -0.30 0.00 0.00 0.00 0.00 54.97 56.80 2kqn s GLU 55 Cb -0.24 -2.11 -0.07 0.00 2.00 0.00 0.00 34.13 33.71 2kqn s GLU 55 CO 0.30 -0.80 1.82 0.99 -0.56 0.00 0.00 175.26 177.01 2kqn s THR 56 N -1.68 3.31 0.00 -1.70 2.01 -1.26 -1.26 115.64 115.05 2kqn s THR 56 Ca 0.71 0.37 0.00 0.00 0.31 0.00 0.00 61.69 63.07 2kqn s THR 56 Cb -0.26 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.00 2kqn s THR 56 CO 0.30 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.79 2kqn n GLY 57 N 4.44 1.87 3.68 4.40 0.00 -1.26 -5.08 105.19 113.25 2kqn n GLY 57 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 2kqn n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kqn s VAL 58 N -2.19 4.74 0.73 1.61 1.01 -0.39 -5.03 120.40 120.88 2kqn s VAL 58 Ca 0.00 2.02 -0.15 0.00 0.00 0.00 0.00 61.98 63.85 2kqn s VAL 58 Cb 0.00 -4.30 0.04 0.00 0.00 0.00 0.00 36.38 32.12 2kqn s VAL 58 CO 0.00 -0.03 1.23 -2.84 0.00 0.00 0.00 175.10 173.46 2kqn s PRO 59 N 2.24 2.12 0.00 2.72 0.02 -1.26 -4.89 135.00 135.95 2kqn s PRO 59 Ca 0.48 1.83 0.10 0.00 0.02 0.00 0.00 61.00 63.42 2kqn s PRO 59 Cb -0.18 -1.82 0.48 0.00 0.02 0.00 0.00 34.50 33.00 2kqn s PRO 59 CO 0.16 -1.87 1.24 0.43 -0.33 0.00 0.00 177.00 176.63 2kqn n SER 60 N -2.67 0.00 -0.10 2.53 7.64 -1.26 -2.29 113.62 117.47 2kqn n SER 60 Ca 0.14 0.24 0.02 0.00 1.01 0.00 0.00 58.87 60.28 2kqn n SER 60 Cb 0.50 -0.35 0.33 0.00 -1.01 0.00 0.00 64.21 63.68 2kqn n SER 60 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2kqn h ARG 61 N 0.00 0.74 -5.54 1.43 2.47 -1.90 -3.41 114.38 108.17 2kqn h ARG 61 Ca 0.00 -0.06 -0.59 0.00 -1.26 0.00 0.00 59.98 58.07 2kqn h ARG 61 Cb 0.11 -0.16 -0.10 0.00 -1.65 0.00 0.00 29.97 28.18 2kqn h ARG 61 CO 0.00 0.52 -0.32 -0.06 0.56 0.00 0.00 179.97 180.67 2kqn s PHE 62 N -5.58 3.49 -0.03 3.04 0.08 -0.97 0.78 117.98 118.79 2kqn s PHE 62 Ca -0.09 0.63 -0.14 0.00 0.12 0.00 0.00 56.93 57.45 2kqn s PHE 62 Cb 0.17 -2.33 0.02 0.00 -0.57 0.00 0.00 43.02 40.32 2kqn s PHE 62 CO 0.76 0.28 0.30 -1.12 -0.10 0.00 0.00 175.22 175.34 2kqn s SER 63 N 0.31 -0.19 -0.02 1.36 0.01 -0.13 -4.95 113.70 110.08 2kqn s SER 63 Ca 0.17 0.14 0.02 0.00 1.31 0.00 0.00 55.95 57.59 2kqn s SER 63 Cb -0.13 0.35 0.01 0.00 0.21 0.00 0.00 66.02 66.46 2kqn s SER 63 CO 0.05 -0.39 -0.07 -0.83 0.41 0.00 0.00 173.24 172.41 2kqn s GLY 64 N -1.12 0.42 -0.01 3.44 0.00 -1.26 0.08 107.32 108.87 2kqn s GLY 64 Ca -0.12 -0.21 0.01 0.00 0.00 0.00 0.00 44.72 44.40 2kqn s GLY 64 CO 0.03 0.03 -0.03 -1.35 0.00 0.00 0.00 173.10 171.78 2kqn s SER 65 N 0.30 0.55 0.00 1.64 1.04 0.75 -3.91 113.70 114.07 2kqn s SER 65 Ca -0.04 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.32 2kqn s SER 65 Cb -0.08 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.89 2kqn s SER 65 CO 0.00 0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.84 2kqn n GLY 66 N 3.37 2.99 3.39 7.32 0.00 -1.26 0.29 105.19 121.29 2kqn n GLY 66 Ca -0.18 -1.47 -0.15 0.00 0.00 0.00 0.00 46.02 44.23 2kqn n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kqn s SER 67 N 0.00 -0.46 0.00 1.61 1.04 -0.87 -4.70 113.70 110.32 2kqn s SER 67 Ca 0.00 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2kqn s SER 67 Cb 0.00 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.74 2kqn s SER 67 CO 0.00 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.41 2kqn n GLY 68 N 1.61 1.31 0.06 7.32 0.00 0.49 -3.01 105.19 112.96 2kqn n GLY 68 Ca -0.18 0.39 -0.06 0.00 0.00 0.00 0.00 46.02 46.16 2kqn n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kqn n THR 69 N 0.00 0.81 -4.33 2.61 -2.24 -1.26 -2.55 114.28 107.33 2kqn n THR 69 Ca 0.00 -0.48 -0.33 0.00 -2.27 0.00 0.00 64.05 60.97 2kqn n THR 69 Cb 0.00 -0.73 -0.16 0.00 -2.10 0.00 0.00 70.33 67.34 2kqn n THR 69 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2kqn s GLU 70 N -2.29 3.02 -0.04 -0.78 2.02 -1.17 -0.59 118.70 118.88 2kqn s GLU 70 Ca -0.08 -0.83 0.04 0.00 0.02 0.00 0.00 54.97 54.12 2kqn s GLU 70 Cb 0.04 -2.53 -0.00 0.00 0.10 0.00 0.00 34.13 31.73 2kqn s GLU 70 CO 0.47 -0.13 -0.16 -0.06 0.02 0.00 0.00 175.26 175.40 2kqn s PHE 71 N 1.10 1.56 -0.19 1.61 0.08 0.04 -2.04 117.98 120.14 2kqn s PHE 71 Ca 0.00 -0.44 0.01 0.00 0.12 0.00 0.00 56.93 56.62 2kqn s PHE 71 Cb -0.14 -1.06 0.02 0.00 -0.57 0.00 0.00 43.02 41.27 2kqn s PHE 71 CO -0.08 -0.15 -0.18 0.99 -0.10 0.00 0.00 175.22 175.70 2kqn s THR 72 N 0.06 2.17 -0.21 0.64 2.01 0.15 -0.80 115.64 119.66 2kqn s THR 72 Ca -0.03 -0.96 -0.07 0.00 0.31 0.00 0.00 61.69 60.93 2kqn s THR 72 Cb -0.11 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 2kqn s THR 72 CO 0.02 0.48 0.07 0.12 -0.69 0.00 0.00 174.62 174.62 2kqn s PHE 73 N 1.29 3.19 -0.07 4.92 5.36 0.13 -0.18 117.98 132.61 2kqn s PHE 73 Ca 0.04 -0.08 0.02 0.00 -0.96 0.00 0.00 56.93 55.94 2kqn s PHE 73 Cb -0.14 -2.14 0.02 0.00 -0.34 0.00 0.00 43.02 40.42 2kqn s PHE 73 CO -0.12 -0.03 -0.10 0.99 -1.46 0.00 0.00 175.22 174.51 2kqn s THR 74 N 0.83 1.03 -0.37 0.12 2.01 0.11 0.14 115.64 119.52 2kqn s THR 74 Ca 0.04 -0.39 -0.15 0.00 0.31 0.00 0.00 61.69 61.50 2kqn s THR 74 Cb -0.14 -0.97 -0.00 0.00 0.01 0.00 0.00 72.50 71.40 2kqn s THR 74 CO 0.02 0.34 0.32 -0.63 -0.69 0.00 0.00 174.62 173.98 2kqn s ILE 75 N 0.92 5.22 0.27 1.82 1.01 0.37 -0.96 121.20 129.85 2kqn s ILE 75 Ca -0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.25 2kqn s ILE 75 Cb -0.15 -3.84 0.18 0.00 0.01 0.00 0.00 42.46 38.65 2kqn s ILE 75 CO 0.01 -0.17 1.84 -1.28 0.00 0.00 0.00 174.94 175.34 2kqn h SER 76 N 8.55 0.90 -2.22 3.58 0.87 0.08 0.66 113.55 125.98 2kqn h SER 76 Ca -0.29 -0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 60.05 2kqn h SER 76 Cb 1.14 -0.23 -0.27 0.00 -0.44 0.00 0.00 62.40 62.59 2kqn h SER 76 CO 0.70 0.80 -0.38 -0.55 -0.53 0.00 0.00 176.83 176.87 2kqn s SER 77 N -6.46 -0.24 0.36 6.23 0.15 -1.26 -4.07 113.70 108.41 2kqn s SER 77 Ca -0.11 0.81 -0.28 0.00 0.70 0.00 0.00 55.95 57.06 2kqn s SER 77 Cb 0.16 1.39 -0.11 0.00 -1.71 0.00 0.00 66.02 65.75 2kqn s SER 77 CO 0.81 -0.25 1.43 -0.22 1.20 0.00 0.00 173.24 176.21 2kqn s LEU 78 N 2.63 4.35 0.15 3.45 1.98 0.05 -4.68 118.68 126.61 2kqn s LEU 78 Ca 0.03 2.93 0.08 0.00 -2.89 0.00 0.00 54.13 54.28 2kqn s LEU 78 Cb -0.13 -3.66 -0.04 0.00 0.66 0.00 0.00 46.19 43.02 2kqn s LEU 78 CO -0.14 -0.77 -0.05 -1.10 -1.89 0.00 0.00 176.35 172.40 2kqn s GLN 79 N -1.98 2.24 0.24 1.98 -1.52 -1.26 -1.04 119.66 118.33 2kqn s GLN 79 Ca 0.52 -1.12 -0.04 0.00 -1.95 0.00 0.00 55.36 52.77 2kqn s GLN 79 Cb -0.44 -2.30 0.44 0.00 -0.22 0.00 0.00 33.01 30.48 2kqn s GLN 79 CO 0.60 0.47 1.77 -1.35 -0.25 0.00 0.00 175.29 176.52 2kqn h PRO 80 N 3.03 0.58 0.00 2.91 0.11 -1.97 -0.73 132.00 135.93 2kqn h PRO 80 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2kqn h PRO 80 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2kqn h PRO 80 CO 0.56 0.38 0.00 -0.85 -0.21 0.00 0.00 178.00 177.88 2kqn n GLU 81 N -4.88 0.10 -0.62 1.05 0.28 -1.26 -3.83 120.64 111.47 2kqn n GLU 81 Ca 0.14 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.18 2kqn n GLU 81 Cb 0.36 -1.50 0.27 0.00 1.43 0.00 0.00 31.44 32.00 2kqn n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2kqn n ASP 82 N -1.45 4.20 -4.67 -1.84 8.00 -0.28 -4.80 116.55 115.71 2kqn n ASP 82 Ca 0.09 -2.66 -0.43 0.00 0.71 0.00 0.00 54.79 52.50 2kqn n ASP 82 Cb 0.32 -0.63 -0.02 0.00 -0.02 0.00 0.00 41.12 40.76 2kqn n ASP 82 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2kqn s LEU 83 N -1.89 4.21 0.00 0.64 0.20 -1.25 -4.88 118.68 115.71 2kqn s LEU 83 Ca 0.37 1.72 -0.14 0.00 0.69 0.00 0.00 54.13 56.77 2kqn s LEU 83 Cb 0.29 -3.55 0.05 0.00 -0.43 0.00 0.00 46.19 42.54 2kqn s LEU 83 CO 0.11 -0.68 0.62 0.00 -0.29 0.00 0.00 176.35 176.11 2kqn n ALA 84 N 6.03 -1.76 -2.74 5.97 0.00 -1.06 -4.92 120.51 122.03 2kqn n ALA 84 Ca 0.13 -0.39 -0.36 0.00 0.00 0.00 0.00 53.44 52.81 2kqn n ALA 84 Cb 0.45 0.08 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 2kqn n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2kqn s THR 85 N -2.09 5.35 -0.06 0.00 2.01 -0.86 -1.36 115.64 118.63 2kqn s THR 85 Ca 0.15 0.40 0.05 0.00 0.31 0.00 0.00 61.69 62.60 2kqn s THR 85 Cb -0.00 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.94 2kqn s THR 85 CO -0.00 0.46 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.89 2kqn s TYR 86 N 0.03 2.57 0.25 4.92 2.02 -1.10 0.03 117.35 126.07 2kqn s TYR 86 Ca 0.14 -0.45 -0.14 0.00 -0.37 0.00 0.00 57.07 56.25 2kqn s TYR 86 Cb -0.12 -1.63 -0.00 0.00 -0.40 0.00 0.00 41.96 39.81 2kqn s TYR 86 CO 0.03 -0.03 0.51 1.52 -1.57 0.00 0.00 175.55 176.01 2kqn s TYR 87 N -0.38 0.27 0.04 2.71 -0.85 -0.88 -4.15 117.35 114.11 2kqn s TYR 87 Ca 0.03 -0.64 0.06 0.00 -0.52 0.00 0.00 57.07 56.00 2kqn s TYR 87 Cb -0.12 0.27 -0.02 0.00 0.38 0.00 0.00 41.96 42.47 2kqn s TYR 87 CO 0.02 -1.03 -0.17 0.00 -1.52 0.00 0.00 175.55 172.85 2kqn s GLN 89 N -1.08 1.33 0.07 0.00 2.00 0.56 -0.15 119.66 122.40 2kqn s GLN 89 Ca 0.05 -0.28 0.01 0.00 -2.00 0.00 0.00 55.36 53.14 2kqn s GLN 89 Cb -0.08 -1.17 -0.04 0.00 0.80 0.00 0.00 33.01 32.52 2kqn s GLN 89 CO 0.01 -0.02 0.18 1.14 -0.50 0.00 0.00 175.29 176.10 2kqn s GLN 90 N 0.79 3.28 -0.13 1.67 1.03 -1.19 0.03 119.66 125.13 2kqn s GLN 90 Ca -0.13 -0.53 0.18 0.00 0.04 0.00 0.00 55.36 54.92 2kqn s GLN 90 Cb -0.15 -2.94 0.43 0.00 0.03 0.00 0.00 33.01 30.38 2kqn s GLN 90 CO 0.02 0.59 1.19 2.48 -2.54 0.00 0.00 175.29 177.03 2kqn n TYR 91 N 0.27 0.26 -0.08 9.60 4.11 -1.02 -4.45 117.16 125.84 2kqn n TYR 91 Ca -0.06 -1.16 -0.21 0.00 -0.00 0.00 0.00 57.90 56.47 2kqn n TYR 91 Cb 0.51 -0.21 -0.12 0.00 -0.00 0.00 0.00 39.34 39.52 2kqn n TYR 91 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.86 177.08 2kqn h ASP 92 N 1.18 0.07 -3.78 9.48 1.82 -1.86 -3.48 116.42 119.85 2kqn h ASP 92 Ca -0.08 -0.62 -0.30 0.00 -0.39 0.00 0.00 57.03 55.64 2kqn h ASP 92 Cb 1.44 -0.02 -0.29 0.00 0.68 0.00 0.00 39.33 41.13 2kqn h ASP 92 CO 0.10 1.49 -0.74 0.21 -1.61 0.00 0.00 179.24 178.70 2kqn s ASN 93 N -6.83 0.37 0.26 2.28 2.47 -1.26 -5.13 114.94 107.09 2kqn s ASN 93 Ca -0.27 -0.05 -0.21 0.00 0.42 0.00 0.00 52.86 52.75 2kqn s ASN 93 Cb 0.05 -0.07 -0.09 0.00 -1.45 0.00 0.00 41.25 39.69 2kqn s ASN 93 CO 0.63 0.01 0.79 -0.76 -3.72 0.00 0.00 177.10 174.06 2kqn s LEU 94 N 0.11 4.32 0.52 3.21 1.43 -1.26 -3.82 118.68 123.20 2kqn s LEU 94 Ca -0.01 1.54 -0.17 0.00 -1.03 0.00 0.00 54.13 54.46 2kqn s LEU 94 Cb -0.03 -3.74 -0.07 0.00 0.03 0.00 0.00 46.19 42.37 2kqn s LEU 94 CO -0.00 -0.01 0.99 -2.16 0.23 0.00 0.00 176.35 175.40 2kqn s PRO 95 N -2.05 3.87 0.25 1.29 0.04 -1.26 -4.79 135.00 132.35 2kqn s PRO 95 Ca 0.46 1.00 -0.16 0.00 0.04 0.00 0.00 61.00 62.33 2kqn s PRO 95 Cb -0.17 -2.12 -0.08 0.00 0.04 0.00 0.00 34.50 32.17 2kqn s PRO 95 CO 0.21 -0.34 0.69 0.71 0.04 0.00 0.00 177.00 178.32 2kqn s TYR 96 N -2.58 3.52 -0.01 0.56 2.02 -1.25 -4.25 117.35 115.36 2kqn s TYR 96 Ca 0.60 1.24 0.05 0.00 -0.37 0.00 0.00 57.07 58.58 2kqn s TYR 96 Cb -0.11 -2.53 -0.01 0.00 -0.40 0.00 0.00 41.96 38.92 2kqn s TYR 96 CO 0.31 0.25 -0.15 0.95 -1.57 0.00 0.00 175.55 175.35 2kqn s THR 97 N -1.71 1.16 0.12 -0.71 -4.23 -1.26 -5.01 115.64 103.99 2kqn s THR 97 Ca 0.47 -0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 60.33 2kqn s THR 97 Cb -0.14 -0.97 -0.04 0.00 1.34 0.00 0.00 72.50 72.69 2kqn s THR 97 CO 0.19 0.32 0.29 -0.36 -0.54 0.00 0.00 174.62 174.52 2kqn s PHE 98 N -0.36 3.50 0.60 3.99 0.40 -1.26 -3.18 117.98 121.66 2kqn s PHE 98 Ca 0.06 0.31 -0.05 0.00 -0.60 0.00 0.00 56.93 56.64 2kqn s PHE 98 Cb -0.06 -1.81 0.13 0.00 0.51 0.00 0.00 43.02 41.79 2kqn s PHE 98 CO -0.00 0.51 0.81 0.41 0.70 0.00 0.00 175.22 177.65 2kqn n GLY 99 N -0.06 -0.19 0.04 4.36 0.00 0.79 -4.83 105.19 105.30 2kqn n GLY 99 Ca -0.05 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.09 2kqn n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kqn n GLN 100 N -2.61 0.00 -0.02 1.61 0.00 -1.26 -4.60 117.38 110.50 2kqn n GLN 100 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 57.00 57.21 2kqn n GLN 100 Cb 0.42 0.00 0.50 0.00 0.00 0.00 0.00 30.24 31.16 2kqn n GLN 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2kqn n GLY 101 N 0.00 -0.69 2.89 2.61 0.00 -1.26 -4.73 105.19 104.02 2kqn n GLY 101 Ca 0.00 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 2kqn n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kqn s THR 102 N -1.95 0.77 -0.13 2.61 2.01 -1.24 -3.28 115.64 114.43 2kqn s THR 102 Ca 0.28 -0.19 -0.01 0.00 0.31 0.00 0.00 61.69 62.09 2kqn s THR 102 Cb 0.14 -0.81 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 2kqn s THR 102 CO 0.22 0.31 -0.11 -0.75 -0.69 0.00 0.00 174.62 173.60 2kqn s LYS 103 N 1.38 3.41 -0.18 4.92 2.47 -0.42 -2.73 119.74 128.59 2kqn s LYS 103 Ca -0.03 -0.65 -0.03 0.00 -1.56 0.00 0.00 55.97 53.71 2kqn s LYS 103 Cb -0.14 -2.68 -0.01 0.00 -1.46 0.00 0.00 37.83 33.54 2kqn s LYS 103 CO -0.03 0.24 -0.07 -1.17 0.16 0.00 0.00 175.35 174.47 2kqn s LEU 104 N 0.31 2.87 0.30 5.43 1.98 -0.47 -1.36 118.68 127.73 2kqn s LEU 104 Ca -0.09 -0.34 0.11 0.00 -2.89 0.00 0.00 54.13 50.92 2kqn s LEU 104 Cb -0.15 -1.70 -0.05 0.00 0.66 0.00 0.00 46.19 44.94 2kqn s LEU 104 CO 0.05 0.07 -0.17 -1.61 -1.89 0.00 0.00 176.35 172.80 2kqn s GLU 105 N 0.96 1.74 -0.15 1.98 0.41 -0.80 -2.58 118.70 120.26 2kqn s GLU 105 Ca -0.01 -1.80 -0.07 0.00 -0.41 0.00 0.00 54.97 52.68 2kqn s GLU 105 Cb -0.15 -1.77 -0.04 0.00 -1.78 0.00 0.00 34.13 30.40 2kqn s GLU 105 CO 0.00 0.28 0.09 0.42 -0.49 0.00 0.00 175.26 175.56 2kqn s ILE 106 N -2.53 5.08 -0.25 -1.63 1.01 -1.24 0.41 121.20 122.06 2kqn s ILE 106 Ca 0.31 0.06 -0.29 0.00 0.00 0.00 0.00 60.65 60.73 2kqn s ILE 106 Cb -0.03 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.18 2kqn s ILE 106 CO 0.16 0.54 1.57 -0.54 0.00 0.00 0.00 174.94 176.67 2kqn s LYS 107 N -0.36 3.77 0.00 2.79 1.02 -1.23 -4.82 119.74 120.91 2kqn s LYS 107 Ca 0.10 1.55 0.00 0.00 0.02 0.00 0.00 55.97 57.64 2kqn s LYS 107 Cb -0.12 -4.02 0.00 0.00 -0.52 0.00 0.00 37.83 33.17 2kqn s LYS 107 CO 0.01 -1.32 0.05 0.54 -0.92 0.00 0.00 175.35 173.71