#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 5.00 0.01 2.12 1.01 -1.26 -4.69 121.20 123.39 2kqn s ILE 2 Ca 0.00 -0.57 -0.28 0.00 0.00 0.00 0.00 60.65 59.80 2kqn s ILE 2 Cb 0.00 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 2kqn s ILE 2 CO 0.00 -0.17 0.89 -1.58 0.00 0.00 0.00 174.94 174.08 2kqn s GLN 3 N 1.65 4.55 -0.39 2.79 0.74 -1.26 -4.60 119.66 123.14 2kqn s GLN 3 Ca 0.04 1.26 -0.07 0.00 0.05 0.00 0.00 55.36 56.65 2kqn s GLN 3 Cb -0.18 -3.43 0.07 0.00 1.10 0.00 0.00 33.01 30.57 2kqn s GLN 3 CO 0.09 0.06 0.19 -1.64 -0.55 0.00 0.00 175.29 173.44 2kqn s MET 4 N 0.66 2.47 -0.22 1.67 -1.94 -1.26 -0.82 119.30 119.85 2kqn s MET 4 Ca 0.46 -1.46 -0.12 0.00 -1.71 0.00 0.00 55.69 52.86 2kqn s MET 4 Cb -0.21 -3.62 -0.05 0.00 2.01 0.00 0.00 34.83 32.97 2kqn s MET 4 CO 0.25 -0.89 0.25 0.99 -0.01 0.00 0.00 175.02 175.61 2kqn s THR 5 N 1.35 5.30 -0.08 2.05 2.01 0.02 -4.12 115.64 122.17 2kqn s THR 5 Ca 0.02 0.37 0.03 0.00 0.31 0.00 0.00 61.69 62.43 2kqn s THR 5 Cb -0.22 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 2kqn s THR 5 CO 0.01 0.31 -0.18 -1.58 -0.69 0.00 0.00 174.62 172.49 2kqn s GLN 6 N 1.13 2.81 0.04 4.92 0.74 -1.26 0.47 119.66 128.51 2kqn s GLN 6 Ca 0.12 -0.77 0.07 0.00 0.05 0.00 0.00 55.36 54.83 2kqn s GLN 6 Cb -0.14 -2.38 -0.02 0.00 1.10 0.00 0.00 33.01 31.57 2kqn s GLN 6 CO 0.06 0.40 -0.20 -1.12 -0.55 0.00 0.00 175.29 173.88 2kqn s SER 7 N -0.16 2.34 0.77 6.67 0.01 0.14 -4.19 113.70 119.27 2kqn s SER 7 Ca -0.02 -0.51 -0.07 0.00 1.31 0.00 0.00 55.95 56.66 2kqn s SER 7 Cb -0.14 -0.19 0.11 0.00 0.21 0.00 0.00 66.02 66.02 2kqn s SER 7 CO 0.03 0.14 1.08 -2.16 0.41 0.00 0.00 173.24 172.74 2kqn s PRO 8 N -1.18 1.70 0.38 12.44 0.04 -1.26 0.17 135.00 147.29 2kqn s PRO 8 Ca 0.06 -0.50 0.05 0.00 0.04 0.00 0.00 61.00 60.66 2kqn s PRO 8 Cb -0.09 -2.13 0.77 0.00 0.04 0.00 0.00 34.50 33.09 2kqn s PRO 8 CO 0.02 -1.56 2.02 0.77 0.04 0.00 0.00 177.00 178.28 2kqn h SER 9 N -0.82 0.53 -2.91 6.66 0.02 -1.75 -3.32 113.55 111.97 2kqn h SER 9 Ca -0.42 -0.03 0.09 0.00 -0.84 0.00 0.00 61.79 60.59 2kqn h SER 9 Cb 1.28 -0.13 -0.28 0.00 0.14 0.00 0.00 62.40 63.41 2kqn h SER 9 CO 0.50 0.42 0.53 -0.94 -1.14 0.00 0.00 176.83 176.20 2kqn s SER 10 N -6.65 -0.37 -0.04 3.07 1.04 -1.26 -2.49 113.70 107.00 2kqn s SER 10 Ca -0.09 0.70 -0.08 0.00 0.48 0.00 0.00 55.95 56.97 2kqn s SER 10 Cb 0.17 0.77 0.01 0.00 0.10 0.00 0.00 66.02 67.07 2kqn s SER 10 CO 0.74 -0.12 0.20 -1.48 0.98 0.00 0.00 173.24 173.56 2kqn s LEU 11 N 0.32 1.29 -0.03 2.42 2.34 -0.62 -4.91 118.68 119.49 2kqn s LEU 11 Ca 0.03 0.12 0.05 0.00 0.06 0.00 0.00 54.13 54.38 2kqn s LEU 11 Cb -0.05 0.79 -0.03 0.00 -0.56 0.00 0.00 46.19 46.34 2kqn s LEU 11 CO -0.09 -0.25 -0.16 -0.44 -1.06 0.00 0.00 176.35 174.35 2kqn s SER 12 N -0.70 3.92 0.07 1.48 0.01 -1.26 -2.04 113.70 115.17 2kqn s SER 12 Ca -0.08 -0.26 -0.10 0.00 1.31 0.00 0.00 55.95 56.82 2kqn s SER 12 Cb -0.05 -0.76 0.00 0.00 0.21 0.00 0.00 66.02 65.43 2kqn s SER 12 CO 0.01 0.32 0.21 0.00 0.41 0.00 0.00 173.24 174.20 2kqn s ALA 13 N -0.77 -0.36 0.25 1.44 0.00 0.49 -4.83 121.76 117.98 2kqn s ALA 13 Ca 0.12 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 51.75 2kqn s ALA 13 Cb -0.11 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 2kqn s ALA 13 CO 0.02 -0.45 0.27 -1.54 0.00 0.00 0.00 175.76 174.05 2kqn s SER 14 N -2.48 5.81 -0.19 0.00 1.04 -1.26 -0.64 113.70 115.98 2kqn s SER 14 Ca -0.00 -0.14 -0.40 0.00 0.48 0.00 0.00 55.95 55.89 2kqn s SER 14 Cb 0.02 -1.54 -0.16 0.00 0.10 0.00 0.00 66.02 64.43 2kqn s SER 14 CO -0.07 -0.07 1.61 0.52 0.98 0.00 0.00 173.24 176.20 2kqn n VAL 15 N -1.28 0.19 0.00 5.02 0.31 -1.26 -0.81 118.33 120.50 2kqn n VAL 15 Ca -0.08 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2kqn n VAL 15 Cb 0.58 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 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 3.66 2.59 3.82 2.92 0.00 0.11 -4.91 105.19 113.38 2kqn n GLY 16 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.79 5.64 -0.26 1.61 1.01 0.01 -4.41 116.67 119.48 2kqn s ASP 17 Ca 0.00 1.67 -0.13 0.00 0.71 0.00 0.00 52.55 54.80 2kqn s ASP 17 Cb 0.00 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 2kqn s ASP 17 CO 0.00 -1.26 0.29 -0.60 0.21 0.00 0.00 175.17 173.80 2kqn s ARG 18 N -4.65 4.03 -0.08 8.23 3.52 -1.26 -0.90 118.95 127.84 2kqn s ARG 18 Ca 0.60 -0.09 0.00 0.00 -0.13 0.00 0.00 55.73 56.11 2kqn s ARG 18 Cb -0.14 -3.62 -0.03 0.00 -1.56 0.00 0.00 34.95 29.60 2kqn s ARG 18 CO 0.47 -0.16 -0.08 0.08 -0.81 0.00 0.00 175.30 174.80 2kqn s VAL 19 N 1.72 3.61 -0.15 7.11 1.01 -0.70 -4.94 120.40 128.07 2kqn s VAL 19 Ca 0.12 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2kqn s VAL 19 Cb -0.15 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.76 2kqn s VAL 19 CO 0.09 0.58 -0.15 -0.89 0.00 0.00 0.00 175.10 174.73 2kqn s THR 20 N -0.54 1.59 0.09 3.92 2.01 -1.26 -0.12 115.64 121.33 2kqn s THR 20 Ca 0.08 -0.65 0.09 0.00 0.31 0.00 0.00 61.69 61.52 2kqn s THR 20 Cb -0.12 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 2kqn s THR 20 CO 0.02 0.46 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.56 2kqn s ILE 21 N 1.41 2.55 0.00 1.82 1.01 0.21 -4.62 121.20 123.58 2kqn s ILE 21 Ca 0.03 -1.49 0.01 0.00 0.00 0.00 0.00 60.65 59.21 2kqn s ILE 21 Cb -0.13 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.22 2kqn s ILE 21 CO -0.10 0.19 -0.04 -0.89 0.00 0.00 0.00 174.94 174.10 2kqn s THR 22 N -1.02 0.34 -0.08 2.92 2.01 0.13 0.43 115.64 120.36 2kqn s THR 22 Ca 0.15 -0.31 0.04 0.00 0.31 0.00 0.00 61.69 61.88 2kqn s THR 22 Cb -0.10 -0.31 -0.01 0.00 0.01 0.00 0.00 72.50 72.08 2kqn s THR 22 CO 0.07 0.01 -0.20 0.00 -0.69 0.00 0.00 174.62 173.81 2kqn s GLN 24 N -0.02 2.85 -0.08 0.00 -0.21 0.18 -1.33 119.66 121.04 2kqn s GLN 24 Ca -0.06 -0.78 -0.05 0.00 0.02 0.00 0.00 55.36 54.49 2kqn s GLN 24 Cb -0.15 -2.38 -0.04 0.00 1.00 0.00 0.00 33.01 31.44 2kqn s GLN 24 CO 0.05 -0.10 0.13 0.00 -2.12 0.00 0.00 175.29 173.25 2kqn s ALA 25 N 1.05 3.81 0.32 6.09 0.00 -0.80 -0.80 121.76 131.43 2kqn s ALA 25 Ca -0.02 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.27 2kqn s ALA 25 Cb -0.14 -1.87 0.55 0.00 0.00 0.00 0.00 23.12 21.66 2kqn s ALA 25 CO -0.06 0.65 1.85 1.03 0.00 0.00 0.00 175.76 179.23 2kqn h SER 26 N 4.68 0.53 -4.54 0.00 0.87 -1.31 -3.44 113.55 110.34 2kqn h SER 26 Ca -0.53 -0.11 -0.29 0.00 -1.23 0.00 0.00 61.79 59.64 2kqn h SER 26 Cb 1.21 -0.14 -0.23 0.00 -0.44 0.00 0.00 62.40 62.80 2kqn h SER 26 CO 0.60 0.61 -0.74 -1.58 -0.53 0.00 0.00 176.83 175.19 2kqn s GLN 27 N -4.95 0.51 0.13 2.24 0.74 -1.26 -4.92 119.66 112.14 2kqn s GLN 27 Ca -0.08 -0.61 -0.31 0.00 0.05 0.00 0.00 55.36 54.41 2kqn s GLN 27 Cb 0.15 -0.33 -0.09 0.00 1.10 0.00 0.00 33.01 33.85 2kqn s GLN 27 CO 0.77 0.07 1.47 0.34 -0.55 0.00 0.00 175.29 177.39 2kqn s ASP 28 N -1.20 6.72 -0.19 6.67 -1.08 -1.26 -4.74 116.67 121.59 2kqn s ASP 28 Ca -0.07 2.44 0.15 0.00 -0.52 0.00 0.00 52.55 54.55 2kqn s ASP 28 Cb -0.08 -2.59 0.42 0.00 -1.46 0.00 0.00 42.92 39.21 2kqn s ASP 28 CO 0.00 -0.73 1.30 2.30 0.52 0.00 0.00 175.17 178.56 2kqn n ILE 29 N 4.00 2.18 0.00 4.11 -5.35 -1.22 -5.01 119.36 118.07 2kqn n ILE 29 Ca 0.13 -2.41 0.00 0.00 -0.27 0.00 0.00 62.75 60.19 2kqn n ILE 29 Cb 0.41 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.05 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 -1.07 0.00 -0.05 7.28 4.13 -1.26 -1.22 115.26 123.07 2kqn n ASN 30 Ca 0.21 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.47 2kqn n ASN 30 Cb 0.80 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.04 2kqn n ASN 30 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 2kqn n ASN 31 N 1.69 0.00 -4.53 6.41 6.94 -1.26 -0.63 115.26 123.88 2kqn n ASN 31 Ca 0.00 -0.39 -0.43 0.00 -0.02 0.00 0.00 54.58 53.74 2kqn n ASN 31 Cb 0.00 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 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 2.94 0.02 -2.53 2.02 -0.35 -2.91 117.35 116.53 2kqn s TYR 32 Ca 0.00 -1.56 0.05 0.00 -0.37 0.00 0.00 57.07 55.19 2kqn s TYR 32 Cb 0.00 -4.59 -0.02 0.00 -0.40 0.00 0.00 41.96 36.95 2kqn s TYR 32 CO 0.00 -1.70 -0.15 -1.17 -1.57 0.00 0.00 175.55 170.96 2kqn s LEU 33 N 3.59 2.11 0.00 -1.29 2.96 -1.26 -2.58 118.68 122.22 2kqn s LEU 33 Ca 0.47 -0.38 0.08 0.00 -0.22 0.00 0.00 54.13 54.08 2kqn s LEU 33 Cb 0.01 -0.68 -0.02 0.00 0.50 0.00 0.00 46.19 46.00 2kqn s LEU 33 CO 0.00 0.10 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.27 2kqn s ILE 34 N -0.64 1.87 -0.09 6.68 1.01 0.15 -1.18 121.20 129.01 2kqn s ILE 34 Ca 0.04 -1.11 0.02 0.00 0.00 0.00 0.00 60.65 59.60 2kqn s ILE 34 Cb -0.07 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 2kqn s ILE 34 CO 0.01 0.44 -0.15 0.26 0.00 0.00 0.00 174.94 175.50 2kqn s TRP 35 N -0.64 2.73 0.27 3.97 0.52 0.17 0.08 118.94 126.03 2kqn s TRP 35 Ca 0.09 -0.42 0.06 0.00 0.02 0.00 0.00 56.10 55.84 2kqn s TRP 35 Cb -0.09 -1.72 -0.06 0.00 -1.15 0.00 0.00 33.47 30.45 2kqn s TRP 35 CO 0.00 -0.03 -0.04 0.71 0.02 0.00 0.00 176.95 177.62 2kqn s TYR 36 N -0.20 1.83 -0.11 -1.98 2.02 -0.95 0.00 117.35 117.96 2kqn s TYR 36 Ca 0.00 -0.78 0.01 0.00 -0.37 0.00 0.00 57.07 55.93 2kqn s TYR 36 Cb -0.13 -1.06 0.02 0.00 -0.40 0.00 0.00 41.96 40.38 2kqn s TYR 36 CO 0.03 0.17 -0.13 1.14 -1.57 0.00 0.00 175.55 175.20 2kqn s GLN 37 N -3.77 2.00 -0.49 -0.62 -2.07 -0.74 -3.43 119.66 110.53 2kqn s GLN 37 Ca 0.29 -0.47 -0.17 0.00 -1.82 0.00 0.00 55.36 53.20 2kqn s GLN 37 Cb 0.05 -1.79 0.07 0.00 -1.09 0.00 0.00 33.01 30.25 2kqn s GLN 37 CO 0.11 -0.13 0.48 -0.65 -1.32 0.00 0.00 175.29 173.78 2kqn s GLN 38 N 1.20 3.02 -0.16 9.60 -1.52 0.37 -3.29 119.66 128.88 2kqn s GLN 38 Ca -0.03 -1.26 -0.09 0.00 -1.95 0.00 0.00 55.36 52.03 2kqn s GLN 38 Cb -0.14 -4.14 -0.05 0.00 -0.22 0.00 0.00 33.01 28.46 2kqn s GLN 38 CO -0.04 -1.12 0.16 0.15 -0.25 0.00 0.00 175.29 174.19 2kqn s LYS 39 N 1.94 3.89 -0.39 2.91 1.02 -1.26 -0.48 119.74 127.37 2kqn s LYS 39 Ca 0.07 -0.13 -0.37 0.00 0.02 0.00 0.00 55.97 55.56 2kqn s LYS 39 Cb -0.23 -3.32 -0.13 0.00 -0.52 0.00 0.00 37.83 33.62 2kqn s LYS 39 CO 0.08 0.50 2.18 -0.35 -0.92 0.00 0.00 175.35 176.84 2kqn n PRO 40 N 2.86 0.83 0.00 -1.68 -0.04 -1.26 -1.14 135.00 134.57 2kqn n PRO 40 Ca -0.17 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2kqn n PRO 40 Cb 0.53 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 2kqn n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kqn n GLY 41 N 6.76 1.94 3.83 0.55 0.00 -1.26 -5.09 105.19 111.92 2kqn n GLY 41 Ca 0.44 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.15 2.66 0.65 1.61 -2.07 -0.29 -5.12 119.66 116.94 2kqn s GLN 42 Ca 0.00 -1.34 -0.11 0.00 -1.82 0.00 0.00 55.36 52.09 2kqn s GLN 42 Cb 0.00 -2.42 -0.02 0.00 -1.09 0.00 0.00 33.01 29.47 2kqn s GLN 42 CO 0.00 0.10 1.05 0.00 -1.32 0.00 0.00 175.29 175.11 2kqn s ALA 43 N -2.33 3.04 0.06 2.60 0.00 -1.26 -4.60 121.76 119.27 2kqn s ALA 43 Ca 0.40 -0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.88 2kqn s ALA 43 Cb -0.05 -3.06 -0.10 0.00 0.00 0.00 0.00 23.12 19.92 2kqn s ALA 43 CO 0.26 -0.83 1.94 -2.30 0.00 0.00 0.00 175.76 174.83 2kqn n PRO 44 N -2.82 2.85 -3.44 0.00 -0.02 -1.26 -4.83 135.00 125.48 2kqn n PRO 44 Ca 0.06 1.04 -0.37 0.00 -2.02 0.00 0.00 63.50 62.21 2kqn n PRO 44 Cb 0.55 -2.98 -0.07 0.00 -0.02 0.00 0.00 33.50 30.98 2kqn n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2kqn s LYS 45 N 3.99 4.29 -0.09 -0.52 2.20 -1.21 -4.91 119.74 123.49 2kqn s LYS 45 Ca 0.87 0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 56.44 2kqn s LYS 45 Cb -0.45 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.41 2kqn s LYS 45 CO 0.41 0.21 1.23 -1.17 -0.36 0.00 0.00 175.35 175.66 2kqn s LEU 46 N 0.53 4.25 -0.12 5.43 0.20 -1.26 -1.80 118.68 125.91 2kqn s LEU 46 Ca 0.21 1.78 -0.13 0.00 0.69 0.00 0.00 54.13 56.68 2kqn s LEU 46 Cb -0.14 -3.55 -0.05 0.00 -0.43 0.00 0.00 46.19 42.02 2kqn s LEU 46 CO 0.07 -0.65 -0.25 -0.11 -0.29 0.00 0.00 176.35 175.12 2kqn n LEU 47 N 5.69 1.67 -4.09 -0.68 7.94 0.10 -4.81 117.00 122.82 2kqn n LEU 47 Ca 0.12 0.27 -0.21 0.00 -1.11 0.00 0.00 56.01 55.08 2kqn n LEU 47 Cb 0.46 -0.62 -0.15 0.00 0.53 0.00 0.00 43.42 43.64 2kqn n LEU 47 CO 0.55 -0.29 -0.46 -0.63 -1.11 0.00 0.00 177.39 175.45 2kqn s ILE 48 N -2.61 0.99 0.16 1.96 1.01 -1.04 -1.67 121.20 119.99 2kqn s ILE 48 Ca -0.22 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 59.83 2kqn s ILE 48 Cb 0.04 -0.84 -0.05 0.00 0.01 0.00 0.00 42.46 41.62 2kqn s ILE 48 CO 0.32 0.22 -0.01 -0.72 0.00 0.00 0.00 174.94 174.75 2kqn s TYR 49 N -0.40 1.16 -0.64 3.97 -0.85 0.15 0.41 117.35 121.16 2kqn s TYR 49 Ca 0.04 -1.00 0.00 0.00 -0.52 0.00 0.00 57.07 55.59 2kqn s TYR 49 Cb -0.05 -0.66 0.00 0.00 0.38 0.00 0.00 41.96 41.63 2kqn s TYR 49 CO -0.00 -0.21 0.00 -3.47 -1.52 0.00 0.00 175.55 170.35 2kqn n ASP 50 N -0.21 -5.25 -3.13 -0.18 2.03 -0.32 -1.24 116.55 108.25 2kqn n ASP 50 Ca -0.07 0.15 -0.22 0.00 0.52 0.00 0.00 54.79 55.17 2kqn n ASP 50 Cb 0.63 -3.28 0.01 0.00 -0.72 0.00 0.00 41.12 37.76 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 1.11 -1.00 0.00 -1.67 0.00 -0.95 -4.58 120.51 113.42 2kqn n ALA 51 Ca -0.06 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2kqn n ALA 51 Cb 0.45 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 16.86 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 -2.32 0.00 -4.67 0.00 3.41 -1.00 -2.54 113.62 106.49 2kqn n SER 52 Ca -0.07 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.13 2kqn n SER 52 Cb 0.58 0.48 -0.04 0.00 -0.26 0.00 0.00 64.21 64.97 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 -1.98 4.90 0.09 6.66 2.01 -0.37 -4.84 115.64 122.11 2kqn s THR 53 Ca 0.00 1.58 -0.28 0.00 0.31 0.00 0.00 61.69 63.30 2kqn s THR 53 Cb 0.00 -4.11 -0.06 0.00 0.01 0.00 0.00 72.50 68.34 2kqn s THR 53 CO 0.00 0.05 0.89 -0.76 -0.69 0.00 0.00 174.62 174.10 2kqn s LEU 54 N 2.04 4.48 0.53 4.42 1.02 -1.26 -0.67 118.68 129.25 2kqn s LEU 54 Ca 0.37 1.67 -0.20 0.00 0.02 0.00 0.00 54.13 55.99 2kqn s LEU 54 Cb -0.17 -3.45 -0.06 0.00 0.02 0.00 0.00 46.19 42.53 2kqn s LEU 54 CO 0.13 -0.03 1.11 -0.70 0.02 0.00 0.00 176.35 176.88 2kqn s GLU 55 N -0.06 3.44 0.00 1.70 2.56 -0.67 -4.92 118.70 120.75 2kqn s GLU 55 Ca 0.44 1.56 -0.30 0.00 0.00 0.00 0.00 54.97 56.66 2kqn s GLU 55 Cb -0.22 -2.02 -0.08 0.00 2.00 0.00 0.00 34.13 33.81 2kqn s GLU 55 CO 0.27 -0.76 1.87 0.99 -0.56 0.00 0.00 175.26 177.07 2kqn s THR 56 N -1.82 3.20 0.00 -1.70 2.01 -1.26 -1.35 115.64 114.71 2kqn s THR 56 Ca 0.72 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.96 2kqn s THR 56 Cb -0.22 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.13 2kqn s THR 56 CO 0.26 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 2kqn n GLY 57 N 4.43 1.28 3.23 4.40 0.00 -1.26 -5.09 105.19 112.17 2kqn n GLY 57 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 2.86 0.50 1.61 1.01 -0.46 -5.10 120.40 118.82 2kqn s VAL 58 Ca 0.00 -0.71 -0.23 0.00 0.00 0.00 0.00 61.98 61.05 2kqn s VAL 58 Cb 0.00 -2.29 -0.07 0.00 0.00 0.00 0.00 36.38 34.02 2kqn s VAL 58 CO 0.00 0.44 1.28 -2.65 0.00 0.00 0.00 175.10 174.17 2kqn n PRO 59 N 4.72 1.71 0.00 2.72 -0.02 -1.26 -4.86 135.00 138.01 2kqn n PRO 59 Ca -0.19 0.62 0.06 0.00 -2.02 0.00 0.00 63.50 61.97 2kqn n PRO 59 Cb 0.50 -2.46 0.30 0.00 -0.02 0.00 0.00 33.50 31.82 2kqn n PRO 59 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2kqn n SER 60 N -0.49 0.00 0.26 2.55 7.64 -1.26 -2.41 113.62 119.91 2kqn n SER 60 Ca 0.09 0.21 0.10 0.00 1.01 0.00 0.00 58.87 60.28 2kqn n SER 60 Cb 0.43 -0.34 0.71 0.00 -1.01 0.00 0.00 64.21 64.01 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 0.00 -6.70 1.43 3.08 -1.93 -3.43 114.38 106.83 2kqn h ARG 61 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 2kqn h ARG 61 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2kqn h ARG 61 CO 0.00 0.06 0.05 -0.06 -1.07 0.00 0.00 179.97 178.95 2kqn s PHE 62 N -4.68 3.42 -0.23 3.04 0.08 -1.01 -0.07 117.98 118.53 2kqn s PHE 62 Ca -0.04 1.05 -0.15 0.00 0.12 0.00 0.00 56.93 57.90 2kqn s PHE 62 Cb 0.15 -2.42 0.07 0.00 -0.57 0.00 0.00 43.02 40.25 2kqn s PHE 62 CO 0.62 0.06 0.59 -1.54 -0.10 0.00 0.00 175.22 174.85 2kqn s SER 63 N -2.68 -0.74 -0.35 1.36 1.04 -0.55 -4.96 113.70 106.83 2kqn s SER 63 Ca 0.51 1.26 0.15 0.00 0.48 0.00 0.00 55.95 58.36 2kqn s SER 63 Cb -0.10 1.17 0.43 0.00 0.10 0.00 0.00 66.02 67.62 2kqn s SER 63 CO 0.24 -0.22 1.04 0.61 0.98 0.00 0.00 173.24 175.89 2kqn n GLY 64 N 3.91 1.58 3.87 7.32 0.00 -1.25 0.00 105.19 120.62 2kqn n GLY 64 Ca -0.19 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.50 2kqn n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kqn s SER 65 N -2.58 6.67 0.00 1.61 1.04 -1.01 -4.10 113.70 115.33 2kqn s SER 65 Ca 0.27 1.01 0.00 0.00 0.48 0.00 0.00 55.95 57.70 2kqn s SER 65 Cb 0.43 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 64.29 2kqn s SER 65 CO -0.00 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.73 2kqn n GLY 66 N -0.17 -2.23 3.36 7.32 0.00 -1.05 -1.43 105.19 110.99 2kqn n GLY 66 Ca 0.01 -1.26 -0.14 0.00 0.00 0.00 0.00 46.02 44.64 2kqn n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kqn s SER 67 N -1.57 -0.47 0.22 1.61 0.01 -0.36 -4.78 113.70 108.36 2kqn s SER 67 Ca 0.00 0.82 0.00 0.00 1.31 0.00 0.00 55.95 58.08 2kqn s SER 67 Cb 0.00 0.85 0.00 0.00 0.21 0.00 0.00 66.02 67.08 2kqn s SER 67 CO 0.00 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.02 2kqn n GLY 68 N 2.46 1.34 0.21 3.44 0.00 0.20 -2.74 105.19 110.10 2kqn n GLY 68 Ca -0.15 0.25 0.06 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 -4.15 2.61 -2.24 -1.26 -3.45 114.28 105.79 2kqn n THR 69 Ca 0.00 -0.34 -0.24 0.00 -2.27 0.00 0.00 64.05 61.20 2kqn n THR 69 Cb 0.00 1.11 -0.17 0.00 -2.10 0.00 0.00 70.33 69.17 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 -1.70 1.35 -0.02 -0.78 2.02 -1.11 -1.90 118.70 116.56 2kqn s GLU 70 Ca 0.09 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 54.85 2kqn s GLU 70 Cb 0.10 -1.32 0.02 0.00 0.10 0.00 0.00 34.13 33.02 2kqn s GLU 70 CO 0.35 -0.14 -0.00 -0.06 0.02 0.00 0.00 175.26 175.43 2kqn s PHE 71 N 1.26 0.22 -0.14 1.61 0.08 -0.44 -1.22 117.98 119.36 2kqn s PHE 71 Ca -0.04 0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.05 2kqn s PHE 71 Cb -0.14 -0.29 0.01 0.00 -0.57 0.00 0.00 43.02 42.03 2kqn s PHE 71 CO -0.03 -0.08 -0.22 0.99 -0.10 0.00 0.00 175.22 175.78 2kqn s THR 72 N 0.72 2.10 -0.21 0.64 2.01 -0.51 -0.50 115.64 119.89 2kqn s THR 72 Ca -0.07 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 60.92 2kqn s THR 72 Cb -0.10 -1.84 -0.02 0.00 0.01 0.00 0.00 72.50 70.56 2kqn s THR 72 CO -0.01 0.55 -0.02 0.12 -0.69 0.00 0.00 174.62 174.56 2kqn s PHE 73 N 0.75 2.99 -0.03 4.92 5.36 0.17 -2.40 117.98 129.73 2kqn s PHE 73 Ca -0.09 -0.66 0.03 0.00 -0.96 0.00 0.00 56.93 55.26 2kqn s PHE 73 Cb -0.16 -2.08 0.00 0.00 -0.34 0.00 0.00 43.02 40.44 2kqn s PHE 73 CO -0.00 -0.37 -0.13 0.99 -1.46 0.00 0.00 175.22 174.25 2kqn s THR 74 N 1.18 1.09 -0.31 0.12 2.01 0.10 0.65 115.64 120.48 2kqn s THR 74 Ca 0.03 -0.53 -0.09 0.00 0.31 0.00 0.00 61.69 61.40 2kqn s THR 74 Cb -0.14 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 2kqn s THR 74 CO 0.00 0.32 0.14 -0.63 -0.69 0.00 0.00 174.62 173.77 2kqn s ILE 75 N 0.12 4.52 0.23 1.82 1.01 0.83 -1.48 121.20 128.25 2kqn s ILE 75 Ca -0.03 -0.46 -0.08 0.00 0.00 0.00 0.00 60.65 60.08 2kqn s ILE 75 Cb -0.10 -3.31 0.20 0.00 0.01 0.00 0.00 42.46 39.26 2kqn s ILE 75 CO 0.01 0.07 1.90 0.28 0.00 0.00 0.00 174.94 177.20 2kqn h SER 76 N 8.34 1.00 -2.41 3.58 0.02 -0.78 -1.86 113.55 121.44 2kqn h SER 76 Ca -0.32 -0.03 -0.28 0.00 -0.84 0.00 0.00 61.79 60.32 2kqn h SER 76 Cb 1.14 -0.25 -0.34 0.00 0.14 0.00 0.00 62.40 63.09 2kqn h SER 76 CO 0.61 0.73 -0.59 -0.44 -1.14 0.00 0.00 176.83 176.01 2kqn s SER 77 N -6.01 1.10 0.08 3.07 0.01 -1.26 -4.22 113.70 106.47 2kqn s SER 77 Ca -0.13 -0.09 -0.31 0.00 1.31 0.00 0.00 55.95 56.73 2kqn s SER 77 Cb 0.16 0.55 -0.08 0.00 0.21 0.00 0.00 66.02 66.86 2kqn s SER 77 CO 0.80 -0.32 1.64 -0.22 0.41 0.00 0.00 173.24 175.55 2kqn s LEU 78 N 2.38 4.36 0.21 2.44 1.98 -0.08 -4.76 118.68 125.22 2kqn s LEU 78 Ca 0.08 2.49 0.10 0.00 -2.89 0.00 0.00 54.13 53.91 2kqn s LEU 78 Cb -0.16 -3.57 -0.04 0.00 0.66 0.00 0.00 46.19 43.08 2kqn s LEU 78 CO -0.13 -0.87 -0.15 -1.10 -1.89 0.00 0.00 176.35 172.21 2kqn s GLN 79 N 2.47 1.84 0.40 1.98 -1.52 -1.26 0.09 119.66 123.66 2kqn s GLN 79 Ca 0.73 -1.46 0.15 0.00 -1.95 0.00 0.00 55.36 52.84 2kqn s GLN 79 Cb -0.40 -1.99 1.02 0.00 -0.22 0.00 0.00 33.01 31.43 2kqn s GLN 79 CO 0.32 0.40 1.85 -1.35 -0.25 0.00 0.00 175.29 176.25 2kqn h PRO 80 N 2.76 0.46 0.00 2.91 0.11 -1.99 0.28 132.00 136.54 2kqn h PRO 80 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kqn h PRO 80 Cb 1.22 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2kqn h PRO 80 CO 0.54 0.30 0.00 -0.85 -0.21 0.00 0.00 178.00 177.78 2kqn n GLU 81 N -4.54 0.20 -0.06 1.05 0.28 -1.26 -2.82 120.64 113.48 2kqn n GLU 81 Ca 0.19 0.26 0.12 0.00 -0.16 0.00 0.00 57.16 57.58 2kqn n GLU 81 Cb 0.66 -1.78 0.36 0.00 1.43 0.00 0.00 31.44 32.12 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 -2.14 2.04 -4.68 -1.84 8.00 0.99 -4.83 116.55 114.10 2kqn n ASP 82 Ca 0.04 -1.72 -0.43 0.00 0.71 0.00 0.00 54.79 53.39 2kqn n ASP 82 Cb 0.34 -0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 41.33 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 -1.73 4.20 -0.03 0.64 2.96 -1.13 -4.88 118.68 118.72 2kqn s LEU 83 Ca 0.34 1.58 -0.31 0.00 -0.22 0.00 0.00 54.13 55.53 2kqn s LEU 83 Cb 0.20 -3.55 0.12 0.00 0.50 0.00 0.00 46.19 43.46 2kqn s LEU 83 CO 0.30 -0.59 1.29 0.00 -1.32 0.00 0.00 176.35 176.03 2kqn s ALA 84 N 2.63 -2.25 -0.14 5.97 0.00 -1.26 -4.78 121.76 121.92 2kqn s ALA 84 Ca 0.50 0.74 -0.24 0.00 0.00 0.00 0.00 51.96 52.96 2kqn s ALA 84 Cb -0.19 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 2kqn s ALA 84 CO 0.15 -1.04 0.75 0.99 0.00 0.00 0.00 175.76 176.61 2kqn s THR 85 N -2.40 4.96 -0.01 0.00 2.01 0.37 -3.39 115.64 117.18 2kqn s THR 85 Ca 0.14 1.49 0.00 0.00 0.31 0.00 0.00 61.69 63.63 2kqn s THR 85 Cb 0.05 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 2kqn s THR 85 CO -0.04 0.11 0.04 -0.31 -0.69 0.00 0.00 174.62 173.72 2kqn s TYR 86 N 1.71 3.18 0.20 4.92 1.51 -1.15 -0.48 117.35 127.23 2kqn s TYR 86 Ca 0.36 0.15 -0.16 0.00 -1.01 0.00 0.00 57.07 56.41 2kqn s TYR 86 Cb -0.17 -1.71 0.02 0.00 -0.11 0.00 0.00 41.96 39.99 2kqn s TYR 86 CO 0.14 0.50 0.50 1.52 -1.11 0.00 0.00 175.55 177.10 2kqn s TYR 87 N -1.12 -0.01 -0.02 2.71 -0.85 -1.22 -3.98 117.35 112.86 2kqn s TYR 87 Ca 0.20 -0.35 0.04 0.00 -0.52 0.00 0.00 57.07 56.45 2kqn s TYR 87 Cb -0.12 0.33 -0.01 0.00 0.38 0.00 0.00 41.96 42.54 2kqn s TYR 87 CO 0.11 -0.91 -0.14 0.00 -1.52 0.00 0.00 175.55 173.09 2kqn s GLN 89 N -0.15 2.97 0.04 0.00 2.00 0.11 0.48 119.66 125.12 2kqn s GLN 89 Ca 0.02 -0.85 -0.00 0.00 -2.00 0.00 0.00 55.36 52.53 2kqn s GLN 89 Cb -0.07 -2.29 -0.04 0.00 0.80 0.00 0.00 33.01 31.41 2kqn s GLN 89 CO 0.00 0.12 0.19 1.14 -0.50 0.00 0.00 175.29 176.24 2kqn s GLN 90 N 0.49 3.38 -0.13 1.67 1.03 -1.21 0.34 119.66 125.23 2kqn s GLN 90 Ca -0.15 -0.44 0.15 0.00 0.04 0.00 0.00 55.36 54.96 2kqn s GLN 90 Cb -0.17 -3.02 0.37 0.00 0.03 0.00 0.00 33.01 30.22 2kqn s GLN 90 CO 0.06 0.62 1.18 2.48 -2.54 0.00 0.00 175.29 177.09 2kqn n TYR 91 N 0.48 0.00 -0.05 9.60 4.11 -1.06 -4.44 117.16 125.80 2kqn n TYR 91 Ca -0.07 -1.04 -0.22 0.00 -0.00 0.00 0.00 57.90 56.57 2kqn n TYR 91 Cb 0.51 -0.19 -0.13 0.00 -0.00 0.00 0.00 39.34 39.53 2kqn n TYR 91 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 2kqn n ASP 92 N -0.66 2.03 -3.84 9.48 2.03 -1.26 -4.97 116.55 119.36 2kqn n ASP 92 Ca 0.14 0.25 -0.12 0.00 0.52 0.00 0.00 54.79 55.58 2kqn n ASP 92 Cb 0.80 -0.85 -0.13 0.00 -0.72 0.00 0.00 41.12 40.22 2kqn n ASP 92 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2kqn s ASN 93 N -6.97 -0.09 0.29 1.67 3.84 -1.26 -5.13 114.94 107.29 2kqn s ASN 93 Ca -0.26 0.18 -0.24 0.00 0.21 0.00 0.00 52.86 52.74 2kqn s ASN 93 Cb 0.07 0.20 -0.09 0.00 -0.55 0.00 0.00 41.25 40.87 2kqn s ASN 93 CO 0.68 -0.04 0.88 -0.76 -2.79 0.00 0.00 177.10 175.07 2kqn s LEU 94 N 0.00 4.34 0.53 3.21 1.43 -1.26 -3.89 118.68 123.04 2kqn s LEU 94 Ca -0.00 1.72 -0.18 0.00 -1.03 0.00 0.00 54.13 54.63 2kqn s LEU 94 Cb -0.01 -3.90 -0.07 0.00 0.03 0.00 0.00 46.19 42.25 2kqn s LEU 94 CO 0.00 -0.04 1.04 -2.16 0.23 0.00 0.00 176.35 175.43 2kqn s PRO 95 N -2.03 3.62 -0.63 1.29 0.04 -1.26 -4.78 135.00 131.26 2kqn s PRO 95 Ca 0.48 1.29 -0.22 0.00 0.04 0.00 0.00 61.00 62.59 2kqn s PRO 95 Cb -0.18 -2.07 0.07 0.00 0.04 0.00 0.00 34.50 32.36 2kqn s PRO 95 CO 0.23 -0.57 0.89 0.71 0.04 0.00 0.00 177.00 178.30 2kqn s TYR 96 N -2.18 2.77 0.11 0.56 2.02 -1.25 -4.48 117.35 114.89 2kqn s TYR 96 Ca 0.66 -0.60 -0.02 0.00 -0.37 0.00 0.00 57.07 56.74 2kqn s TYR 96 Cb -0.16 -4.18 -0.05 0.00 -0.40 0.00 0.00 41.96 37.17 2kqn s TYR 96 CO 0.27 -1.53 0.30 0.95 -1.57 0.00 0.00 175.55 173.97 2kqn s THR 97 N 3.70 5.28 -0.07 -0.71 -4.23 -1.26 -4.87 115.64 113.48 2kqn s THR 97 Ca 0.20 -0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.35 2kqn s THR 97 Cb -0.18 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 69.96 2kqn s THR 97 CO 0.10 0.05 0.28 -0.36 -0.54 0.00 0.00 174.62 174.15 2kqn s PHE 98 N -1.62 3.65 -0.83 3.99 0.08 -1.26 -3.33 117.98 118.66 2kqn s PHE 98 Ca 0.38 0.75 -0.18 0.00 0.12 0.00 0.00 56.93 58.00 2kqn s PHE 98 Cb -0.12 -2.14 0.14 0.00 -0.57 0.00 0.00 43.02 40.33 2kqn s PHE 98 CO 0.27 0.65 0.97 0.20 -0.10 0.00 0.00 175.22 177.21 2kqn s GLY 99 N -0.93 2.01 -0.15 4.36 0.00 0.18 -4.76 107.32 108.02 2kqn s GLY 99 Ca 0.19 -2.71 0.08 0.00 0.00 0.00 0.00 44.72 42.28 2kqn s GLY 99 CO 0.08 1.79 1.28 0.61 0.00 0.00 0.00 173.10 176.86 2kqn n GLN 100 N 6.08 3.27 0.00 2.90 -0.00 -1.26 -2.98 117.38 125.39 2kqn n GLN 100 Ca 0.14 -1.91 0.06 0.00 -0.00 0.00 0.00 57.00 55.29 2kqn n GLN 100 Cb 0.47 -1.95 0.38 0.00 -0.00 0.00 0.00 30.24 29.14 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 0.32 -0.63 2.96 2.61 0.00 -1.26 -4.70 105.19 104.50 2kqn n GLY 101 Ca 0.18 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 0.95 -0.18 2.61 2.01 -1.25 -3.00 115.64 114.78 2kqn s THR 102 Ca 0.19 -0.34 0.01 0.00 0.31 0.00 0.00 61.69 61.86 2kqn s THR 102 Cb 0.09 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 71.71 2kqn s THR 102 CO 0.15 0.32 -0.18 -0.75 -0.69 0.00 0.00 174.62 173.46 2kqn s LYS 103 N 0.93 2.82 -0.05 4.92 2.36 -1.04 -2.95 119.74 126.72 2kqn s LYS 103 Ca -0.10 -0.78 -0.09 0.00 -2.55 0.00 0.00 55.97 52.45 2kqn s LYS 103 Cb -0.15 -2.48 -0.05 0.00 -1.05 0.00 0.00 37.83 34.11 2kqn s LYS 103 CO 0.01 -0.23 0.24 -1.17 1.55 0.00 0.00 175.35 175.75 2kqn s LEU 104 N 1.33 4.40 0.02 5.43 2.96 -1.22 -1.59 118.68 130.02 2kqn s LEU 104 Ca 0.05 0.61 0.00 0.00 -0.22 0.00 0.00 54.13 54.56 2kqn s LEU 104 Cb -0.13 -2.37 -0.02 0.00 0.50 0.00 0.00 46.19 44.17 2kqn s LEU 104 CO -0.12 0.34 -0.03 -1.61 -1.32 0.00 0.00 176.35 173.61 2kqn s GLU 105 N -1.26 0.29 -0.24 1.98 2.02 -0.87 -4.47 118.70 116.16 2kqn s GLU 105 Ca 0.21 -0.55 -0.18 0.00 0.02 0.00 0.00 54.97 54.46 2kqn s GLU 105 Cb -0.13 0.08 -0.03 0.00 0.10 0.00 0.00 34.13 34.15 2kqn s GLU 105 CO 0.10 -0.04 0.51 0.42 0.02 0.00 0.00 175.26 176.26 2kqn s ILE 106 N -1.31 5.09 -0.00 -1.63 1.01 -1.24 -0.38 121.20 122.74 2kqn s ILE 106 Ca -0.14 0.89 -0.30 0.00 0.00 0.00 0.00 60.65 61.10 2kqn s ILE 106 Cb -0.09 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 2kqn s ILE 106 CO -0.01 0.13 1.37 -0.54 0.00 0.00 0.00 174.94 175.89 2kqn s LYS 107 N 2.02 4.29 0.00 2.79 1.02 0.19 -4.87 119.74 125.18 2kqn s LYS 107 Ca 0.22 1.93 0.00 0.00 0.02 0.00 0.00 55.97 58.14 2kqn s LYS 107 Cb -0.15 -3.56 0.00 0.00 -0.52 0.00 0.00 37.83 33.60 2kqn s LYS 107 CO 0.09 -0.55 0.00 0.54 -0.92 0.00 0.00 175.35 174.51