#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 4.71 -0.14 2.12 1.01 -1.26 -4.53 121.20 123.10 2kqn s ILE 2 Ca 0.00 -0.08 -0.19 0.00 0.00 0.00 0.00 60.65 60.38 2kqn s ILE 2 Cb 0.00 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 2kqn s ILE 2 CO 0.00 -0.85 0.52 -1.58 0.00 0.00 0.00 174.94 173.03 2kqn s GLN 3 N 3.10 4.30 -0.51 2.79 0.74 -1.26 -4.40 119.66 124.41 2kqn s GLN 3 Ca 0.22 0.49 -0.20 0.00 0.05 0.00 0.00 55.36 55.92 2kqn s GLN 3 Cb -0.16 -3.48 0.05 0.00 1.10 0.00 0.00 33.01 30.53 2kqn s GLN 3 CO 0.16 0.04 0.68 -1.64 -0.55 0.00 0.00 175.29 173.98 2kqn s MET 4 N 1.00 3.16 -0.35 1.67 -1.94 -1.26 -1.73 119.30 119.85 2kqn s MET 4 Ca 0.27 -0.77 -0.15 0.00 -1.71 0.00 0.00 55.69 53.33 2kqn s MET 4 Cb -0.15 -4.09 -0.01 0.00 2.01 0.00 0.00 34.83 32.59 2kqn s MET 4 CO 0.11 -1.26 0.35 0.99 -0.01 0.00 0.00 175.02 175.20 2kqn s THR 5 N 2.85 5.18 -0.09 2.05 2.01 0.88 -3.78 115.64 124.74 2kqn s THR 5 Ca 0.18 -0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.10 2kqn s THR 5 Cb -0.18 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 2kqn s THR 5 CO 0.13 -0.12 -0.02 -1.58 -0.69 0.00 0.00 174.62 172.34 2kqn s GLN 6 N 1.97 2.99 0.02 4.92 0.74 -1.26 0.39 119.66 129.43 2kqn s GLN 6 Ca 0.11 -0.46 -0.02 0.00 0.05 0.00 0.00 55.36 55.03 2kqn s GLN 6 Cb -0.17 -2.75 -0.02 0.00 1.10 0.00 0.00 33.01 31.18 2kqn s GLN 6 CO 0.12 0.64 0.02 -1.12 -0.55 0.00 0.00 175.29 174.39 2kqn s SER 7 N -0.72 0.22 0.78 6.67 0.01 0.77 -4.10 113.70 117.34 2kqn s SER 7 Ca 0.11 -0.50 -0.11 0.00 1.31 0.00 0.00 55.95 56.77 2kqn s SER 7 Cb -0.11 0.15 0.07 0.00 0.21 0.00 0.00 66.02 66.33 2kqn s SER 7 CO 0.02 -0.37 1.14 -2.16 0.41 0.00 0.00 173.24 172.28 2kqn s PRO 8 N -1.83 2.03 0.38 12.44 0.04 -1.26 -0.85 135.00 145.95 2kqn s PRO 8 Ca -0.12 0.02 0.08 0.00 0.04 0.00 0.00 61.00 61.03 2kqn s PRO 8 Cb -0.07 -2.01 0.83 0.00 0.04 0.00 0.00 34.50 33.29 2kqn s PRO 8 CO -0.02 -1.50 1.95 0.66 0.04 0.00 0.00 177.00 178.13 2kqn h SER 9 N -0.94 0.58 -3.15 6.66 4.64 -1.75 -3.33 113.55 116.27 2kqn h SER 9 Ca -0.46 0.01 0.08 0.00 -0.47 0.00 0.00 61.79 60.96 2kqn h SER 9 Cb 1.33 -0.11 -0.27 0.00 -0.31 0.00 0.00 62.40 63.03 2kqn h SER 9 CO 0.65 0.36 0.53 -0.94 -0.87 0.00 0.00 176.83 176.55 2kqn s SER 10 N -6.16 -0.38 -0.03 4.97 1.04 -1.26 -1.40 113.70 110.48 2kqn s SER 10 Ca -0.09 0.71 -0.09 0.00 0.48 0.00 0.00 55.95 56.96 2kqn s SER 10 Cb 0.20 0.71 0.01 0.00 0.10 0.00 0.00 66.02 67.04 2kqn s SER 10 CO 0.77 -0.15 0.19 -1.48 0.98 0.00 0.00 173.24 173.55 2kqn s LEU 11 N 0.06 1.30 -0.07 2.42 2.34 -0.48 -4.89 118.68 119.36 2kqn s LEU 11 Ca 0.03 0.07 0.00 0.00 0.06 0.00 0.00 54.13 54.30 2kqn s LEU 11 Cb -0.05 0.79 -0.03 0.00 -0.56 0.00 0.00 46.19 46.35 2kqn s LEU 11 CO -0.07 -0.28 -0.06 -0.44 -1.06 0.00 0.00 176.35 174.44 2kqn s SER 12 N -0.84 4.71 0.03 1.48 0.01 -1.26 -2.02 113.70 115.81 2kqn s SER 12 Ca -0.09 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.17 2kqn s SER 12 Cb -0.05 -1.21 -0.02 0.00 0.21 0.00 0.00 66.02 64.95 2kqn s SER 12 CO 0.02 0.36 -0.05 0.00 0.41 0.00 0.00 173.24 173.98 2kqn s ALA 13 N -0.80 0.28 0.21 1.44 0.00 0.15 -4.69 121.76 118.35 2kqn s ALA 13 Ca 0.12 -0.62 -0.08 0.00 0.00 0.00 0.00 51.96 51.38 2kqn s ALA 13 Cb -0.11 0.10 -0.07 0.00 0.00 0.00 0.00 23.12 23.04 2kqn s ALA 13 CO 0.02 -0.10 0.51 -1.54 0.00 0.00 0.00 175.76 174.65 2kqn s SER 14 N -1.41 6.59 -0.07 0.00 1.04 -1.26 -1.85 113.70 116.75 2kqn s SER 14 Ca -0.13 0.85 -0.38 0.00 0.48 0.00 0.00 55.95 56.76 2kqn s SER 14 Cb -0.09 -2.19 -0.16 0.00 0.10 0.00 0.00 66.02 63.67 2kqn s SER 14 CO -0.00 -0.05 1.50 0.52 0.98 0.00 0.00 173.24 176.19 2kqn n VAL 15 N -0.10 0.13 0.00 5.02 0.31 -1.26 -1.12 118.33 121.31 2kqn n VAL 15 Ca -0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2kqn n VAL 15 Cb 0.52 -0.97 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 3.20 3.21 3.89 2.92 0.00 0.46 -4.89 105.19 113.99 2kqn n GLY 16 Ca 0.22 0.00 -0.29 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 -1.11 6.36 0.05 1.61 1.11 -0.28 -4.41 116.67 120.01 2kqn s ASP 17 Ca 0.00 1.03 -0.20 0.00 0.18 0.00 0.00 52.55 53.55 2kqn s ASP 17 Cb 0.00 -2.29 -0.06 0.00 1.07 0.00 0.00 42.92 41.64 2kqn s ASP 17 CO 0.00 -0.52 0.59 -0.13 1.18 0.00 0.00 175.17 176.29 2kqn s ARG 18 N -4.41 4.27 -0.10 8.23 0.52 -1.26 -2.04 118.95 124.17 2kqn s ARG 18 Ca 0.49 0.77 0.03 0.00 -0.52 0.00 0.00 55.73 56.50 2kqn s ARG 18 Cb -0.10 -3.28 -0.01 0.00 0.52 0.00 0.00 34.95 32.08 2kqn s ARG 18 CO 0.40 0.52 -0.21 0.08 0.02 0.00 0.00 175.30 176.11 2kqn s VAL 19 N -0.73 2.31 -0.20 3.52 1.01 -0.81 -4.94 120.40 120.56 2kqn s VAL 19 Ca 0.30 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 2kqn s VAL 19 Cb -0.19 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.30 2kqn s VAL 19 CO 0.19 0.55 -0.12 -0.89 0.00 0.00 0.00 175.10 174.83 2kqn s THR 20 N 0.23 2.72 0.08 3.92 2.01 -1.26 -0.63 115.64 122.71 2kqn s THR 20 Ca -0.14 -0.74 0.08 0.00 0.31 0.00 0.00 61.69 61.20 2kqn s THR 20 Cb -0.17 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 2kqn s THR 20 CO 0.07 0.46 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.64 2kqn s ILE 21 N 1.38 2.73 -0.02 1.82 1.01 0.11 -4.75 121.20 123.48 2kqn s ILE 21 Ca 0.05 -1.37 0.03 0.00 0.00 0.00 0.00 60.65 59.36 2kqn s ILE 21 Cb -0.14 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 40.14 2kqn s ILE 21 CO -0.08 0.23 -0.10 -0.89 0.00 0.00 0.00 174.94 174.10 2kqn s THR 22 N -1.01 0.83 -0.04 2.92 2.01 -0.03 -0.16 115.64 120.16 2kqn s THR 22 Ca 0.16 -0.40 0.06 0.00 0.31 0.00 0.00 61.69 61.81 2kqn s THR 22 Cb -0.10 -0.73 -0.02 0.00 0.01 0.00 0.00 72.50 71.66 2kqn s THR 22 CO 0.07 0.25 -0.21 0.00 -0.69 0.00 0.00 174.62 174.05 2kqn s GLN 24 N -0.57 1.39 0.02 0.00 -0.21 0.16 -0.83 119.66 119.62 2kqn s GLN 24 Ca 0.08 -0.81 0.05 0.00 0.02 0.00 0.00 55.36 54.70 2kqn s GLN 24 Cb -0.11 -1.43 -0.03 0.00 1.00 0.00 0.00 33.01 32.44 2kqn s GLN 24 CO 0.00 0.37 -0.12 0.00 -2.12 0.00 0.00 175.29 173.43 2kqn s ALA 25 N -0.66 2.82 0.34 6.09 0.00 -0.61 -0.09 121.76 129.66 2kqn s ALA 25 Ca 0.07 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 50.98 2kqn s ALA 25 Cb -0.08 -0.94 0.62 0.00 0.00 0.00 0.00 23.12 22.71 2kqn s ALA 25 CO 0.01 0.60 1.84 0.77 0.00 0.00 0.00 175.76 178.97 2kqn h SER 26 N 4.49 0.35 -4.63 0.00 0.02 -1.62 -3.44 113.55 108.72 2kqn h SER 26 Ca -0.48 -0.09 -0.20 0.00 -0.84 0.00 0.00 61.79 60.18 2kqn h SER 26 Cb 1.16 -0.09 -0.23 0.00 0.14 0.00 0.00 62.40 63.38 2kqn h SER 26 CO 0.51 0.53 -0.71 -1.58 -1.14 0.00 0.00 176.83 174.44 2kqn s GLN 27 N -4.66 0.28 0.52 3.45 0.74 -1.26 -4.94 119.66 113.78 2kqn s GLN 27 Ca -0.06 -0.48 -0.22 0.00 0.05 0.00 0.00 55.36 54.65 2kqn s GLN 27 Cb 0.15 0.01 -0.06 0.00 1.10 0.00 0.00 33.01 34.21 2kqn s GLN 27 CO 0.76 -0.02 1.27 0.16 -0.55 0.00 0.00 175.29 176.90 2kqn s ASP 28 N -1.10 5.58 -0.09 6.67 -4.77 -1.26 -4.84 116.67 116.86 2kqn s ASP 28 Ca -0.11 2.54 0.13 0.00 -3.30 0.00 0.00 52.55 51.81 2kqn s ASP 28 Cb -0.07 -2.62 0.20 0.00 -1.09 0.00 0.00 42.92 39.33 2kqn s ASP 28 CO -0.01 -1.34 1.09 2.30 0.70 0.00 0.00 175.17 177.92 2kqn n ILE 29 N -0.92 1.54 0.00 2.11 -5.35 -0.94 -4.96 119.36 110.84 2kqn n ILE 29 Ca 0.10 -1.79 0.00 0.00 -0.27 0.00 0.00 62.75 60.78 2kqn n ILE 29 Cb 0.47 0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.38 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 -1.10 0.00 0.00 7.28 3.02 -1.26 -1.38 115.26 121.81 2kqn n ASN 30 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2kqn n ASN 30 Cb 0.54 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 2kqn n ASN 30 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2kqn n ASN 31 N 1.68 0.00 -4.52 6.41 6.94 -1.26 -0.78 115.26 123.73 2kqn n ASN 31 Ca 0.00 -1.00 -0.43 0.00 -0.02 0.00 0.00 54.58 53.13 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 3.08 0.04 -2.53 2.02 -0.48 -2.81 117.35 116.68 2kqn s TYR 32 Ca 0.00 -1.71 0.05 0.00 -0.37 0.00 0.00 57.07 55.04 2kqn s TYR 32 Cb 0.00 -4.52 -0.02 0.00 -0.40 0.00 0.00 41.96 37.02 2kqn s TYR 32 CO 0.00 -1.62 -0.15 -1.17 -1.57 0.00 0.00 175.55 171.04 2kqn s LEU 33 N 3.07 2.18 -0.00 -1.29 2.96 -1.26 -2.10 118.68 122.24 2kqn s LEU 33 Ca 0.46 -0.49 0.06 0.00 -0.22 0.00 0.00 54.13 53.94 2kqn s LEU 33 Cb -0.00 -0.67 -0.02 0.00 0.50 0.00 0.00 46.19 46.00 2kqn s LEU 33 CO 0.01 0.05 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.27 2kqn s ILE 34 N -0.88 1.46 -0.13 6.68 1.01 0.10 -1.01 121.20 128.43 2kqn s ILE 34 Ca 0.02 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 2kqn s ILE 34 Cb -0.08 -1.23 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 2kqn s ILE 34 CO 0.02 0.36 -0.08 0.26 0.00 0.00 0.00 174.94 175.50 2kqn s TRP 35 N -0.50 2.93 0.20 3.97 0.52 0.25 -0.10 118.94 126.20 2kqn s TRP 35 Ca 0.07 -0.34 0.06 0.00 0.02 0.00 0.00 56.10 55.91 2kqn s TRP 35 Cb -0.07 -1.86 -0.05 0.00 -1.15 0.00 0.00 33.47 30.33 2kqn s TRP 35 CO -0.00 -0.01 -0.11 0.71 0.02 0.00 0.00 176.95 177.55 2kqn s TYR 36 N 0.10 1.61 -0.02 -1.98 1.51 0.89 -0.24 117.35 119.23 2kqn s TYR 36 Ca -0.03 -0.66 0.06 0.00 -1.01 0.00 0.00 57.07 55.43 2kqn s TYR 36 Cb -0.14 -0.80 -0.02 0.00 -0.11 0.00 0.00 41.96 40.90 2kqn s TYR 36 CO 0.03 0.25 -0.20 1.14 -1.11 0.00 0.00 175.55 175.66 2kqn s GLN 37 N -3.70 1.65 -0.54 -0.62 -2.07 -0.29 -0.95 119.66 113.14 2kqn s GLN 37 Ca 0.22 -0.73 -0.19 0.00 -1.82 0.00 0.00 55.36 52.85 2kqn s GLN 37 Cb 0.01 -1.60 0.08 0.00 -1.09 0.00 0.00 33.01 30.41 2kqn s GLN 37 CO 0.06 0.44 0.63 -1.14 -1.32 0.00 0.00 175.29 173.96 2kqn s GLN 38 N -0.48 3.07 -0.28 9.60 2.00 0.17 -0.24 119.66 133.51 2kqn s GLN 38 Ca 0.08 -1.13 -0.15 0.00 -2.00 0.00 0.00 55.36 52.16 2kqn s GLN 38 Cb -0.08 -4.18 -0.03 0.00 0.80 0.00 0.00 33.01 29.52 2kqn s GLN 38 CO -0.01 -1.34 0.37 0.21 -0.50 0.00 0.00 175.29 174.02 2kqn s LYS 39 N 2.53 3.97 -0.42 1.67 2.47 -1.26 -3.02 119.74 125.68 2kqn s LYS 39 Ca 0.12 -0.00 -0.34 0.00 -1.56 0.00 0.00 55.97 54.19 2kqn s LYS 39 Cb -0.22 -3.67 -0.12 0.00 -1.46 0.00 0.00 37.83 32.36 2kqn s LYS 39 CO 0.09 -0.30 2.26 -2.30 0.16 0.00 0.00 175.35 175.26 2kqn n PRO 40 N 5.34 0.96 0.00 4.03 -0.02 -1.26 -1.61 135.00 142.44 2kqn n PRO 40 Ca -0.09 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2kqn n PRO 40 Cb 0.51 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 6.50 2.95 3.36 -1.23 0.00 -1.26 -5.10 105.19 110.41 2kqn n GLY 41 Ca 0.43 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 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 1.41 1.20 1.61 -2.07 -0.64 -5.15 119.66 116.03 2kqn s GLN 42 Ca 0.00 -1.73 -0.14 0.00 -1.82 0.00 0.00 55.36 51.68 2kqn s GLN 42 Cb 0.00 -0.69 0.30 0.00 -1.09 0.00 0.00 33.01 31.54 2kqn s GLN 42 CO 0.00 -0.11 1.01 0.00 -1.32 0.00 0.00 175.29 174.87 2kqn s ALA 43 N -3.38 -0.67 0.20 2.60 0.00 -1.26 -4.13 121.76 115.11 2kqn s ALA 43 Ca 0.30 -0.21 -0.33 0.00 0.00 0.00 0.00 51.96 51.72 2kqn s ALA 43 Cb 0.06 -3.22 -0.13 0.00 0.00 0.00 0.00 23.12 19.83 2kqn s ALA 43 CO 0.10 -4.01 1.55 -2.30 0.00 0.00 0.00 175.76 171.11 2kqn n PRO 44 N -5.04 2.23 -3.55 0.00 -0.02 -1.26 -4.46 135.00 122.90 2kqn n PRO 44 Ca 0.03 0.80 -0.36 0.00 -2.02 0.00 0.00 63.50 61.95 2kqn n PRO 44 Cb 0.55 -2.55 -0.07 0.00 -0.02 0.00 0.00 33.50 31.40 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 0.50 4.25 -0.05 -0.52 2.47 0.67 -4.86 119.74 122.20 2kqn s LYS 45 Ca 0.75 0.07 -0.30 0.00 -1.56 0.00 0.00 55.97 54.93 2kqn s LYS 45 Cb -0.64 -3.42 -0.03 0.00 -1.46 0.00 0.00 37.83 32.28 2kqn s LYS 45 CO 0.41 0.24 1.16 -1.17 0.16 0.00 0.00 175.35 176.15 2kqn s LEU 46 N 0.46 4.29 -0.08 5.43 0.20 -1.26 -1.14 118.68 126.57 2kqn s LEU 46 Ca 0.16 1.78 -0.07 0.00 0.69 0.00 0.00 54.13 56.69 2kqn s LEU 46 Cb -0.13 -3.56 -0.04 0.00 -0.43 0.00 0.00 46.19 42.03 2kqn s LEU 46 CO 0.03 -0.53 -0.16 0.18 -0.29 0.00 0.00 176.35 175.58 2kqn n LEU 47 N 4.96 1.19 -4.07 -0.68 4.77 0.67 -4.87 117.00 118.97 2kqn n LEU 47 Ca 0.10 0.19 -0.21 0.00 -0.03 0.00 0.00 56.01 56.06 2kqn n LEU 47 Cb 0.47 -0.45 -0.15 0.00 -2.33 0.00 0.00 43.42 40.96 2kqn n LEU 47 CO 0.55 -0.11 -0.46 -0.63 -1.33 0.00 0.00 177.39 175.40 2kqn s ILE 48 N -2.32 0.95 0.34 -0.08 1.01 -1.09 -1.51 121.20 118.49 2kqn s ILE 48 Ca -0.16 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.02 2kqn s ILE 48 Cb 0.05 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 2kqn s ILE 48 CO 0.21 0.27 0.12 -0.72 0.00 0.00 0.00 174.94 174.82 2kqn s TYR 49 N -0.24 1.74 -1.62 3.97 -0.85 0.13 0.85 117.35 121.34 2kqn s TYR 49 Ca 0.04 -1.22 0.00 0.00 -0.52 0.00 0.00 57.07 55.37 2kqn s TYR 49 Cb -0.05 -1.07 0.00 0.00 0.38 0.00 0.00 41.96 41.22 2kqn s TYR 49 CO -0.00 -0.29 0.00 -3.47 -1.52 0.00 0.00 175.55 170.27 2kqn n ASP 50 N -0.94 -5.41 0.00 -0.18 2.03 -0.43 -0.12 116.55 111.50 2kqn n ASP 50 Ca -0.02 0.38 0.00 0.00 0.52 0.00 0.00 54.79 55.66 2kqn n ASP 50 Cb 0.65 -4.25 0.00 0.00 -0.72 0.00 0.00 41.12 36.81 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 1.28 0.00 -0.48 -1.67 0.00 -0.18 -4.34 120.51 115.12 2kqn n ALA 51 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2kqn n ALA 51 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2kqn n ALA 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2kqn n SER 52 N 0.74 0.81 -4.53 0.00 7.64 -1.15 -3.76 113.62 113.37 2kqn n SER 52 Ca 0.00 -1.29 -0.34 0.00 1.01 0.00 0.00 58.87 58.24 2kqn n SER 52 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 2kqn n SER 52 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kqn s THR 53 N -0.29 4.18 0.10 0.44 2.01 0.83 -4.62 115.64 118.28 2kqn s THR 53 Ca 0.00 -0.25 -0.28 0.00 0.31 0.00 0.00 61.69 61.47 2kqn s THR 53 Cb 0.00 -2.86 -0.06 0.00 0.01 0.00 0.00 72.50 69.59 2kqn s THR 53 CO 0.00 0.47 0.90 -0.76 -0.69 0.00 0.00 174.62 174.53 2kqn s LEU 54 N 0.51 4.50 0.46 4.42 1.02 -1.26 0.17 118.68 128.49 2kqn s LEU 54 Ca -0.01 1.69 -0.21 0.00 0.02 0.00 0.00 54.13 55.62 2kqn s LEU 54 Cb -0.14 -3.47 -0.09 0.00 0.02 0.00 0.00 46.19 42.51 2kqn s LEU 54 CO 0.02 -0.02 1.03 -0.70 0.02 0.00 0.00 176.35 176.70 2kqn s GLU 55 N -0.12 3.93 -0.02 1.70 2.56 -0.57 -4.91 118.70 121.26 2kqn s GLU 55 Ca 0.44 1.37 -0.30 0.00 0.00 0.00 0.00 54.97 56.48 2kqn s GLU 55 Cb -0.23 -2.20 -0.07 0.00 2.00 0.00 0.00 34.13 33.63 2kqn s GLU 55 CO 0.28 -0.33 1.81 0.99 -0.56 0.00 0.00 175.26 177.45 2kqn s THR 56 N -1.93 3.31 0.00 -1.70 2.01 -1.26 -1.30 115.64 114.78 2kqn s THR 56 Ca 0.65 0.37 0.00 0.00 0.31 0.00 0.00 61.69 63.02 2kqn s THR 56 Cb -0.17 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.10 2kqn s THR 56 CO 0.21 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 2kqn n GLY 57 N 4.35 2.45 3.68 4.40 0.00 -1.26 -5.08 105.19 113.73 2kqn n GLY 57 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.20 4.54 0.43 1.61 1.01 -0.42 -5.00 120.40 120.37 2kqn s VAL 58 Ca 0.00 1.84 -0.25 0.00 0.00 0.00 0.00 61.98 63.58 2kqn s VAL 58 Cb 0.00 -4.19 -0.10 0.00 0.00 0.00 0.00 36.38 32.09 2kqn s VAL 58 CO 0.00 -0.06 1.12 -2.65 0.00 0.00 0.00 175.10 173.51 2kqn n PRO 59 N 5.62 1.57 0.00 2.72 -0.02 -1.26 -4.85 135.00 138.78 2kqn n PRO 59 Ca 0.11 0.56 0.04 0.00 -2.02 0.00 0.00 63.50 62.19 2kqn n PRO 59 Cb 0.47 -2.19 0.18 0.00 -0.02 0.00 0.00 33.50 31.94 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 0.33 0.00 0.21 2.55 7.64 -1.26 -2.29 113.62 120.81 2kqn n SER 60 Ca 0.08 0.25 0.05 0.00 1.01 0.00 0.00 58.87 60.26 2kqn n SER 60 Cb 0.39 -0.33 0.47 0.00 -1.01 0.00 0.00 64.21 63.73 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 -6.57 1.43 3.08 -1.92 -3.43 114.38 106.98 2kqn h ARG 61 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 2kqn h ARG 61 Cb 0.08 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 2kqn h ARG 61 CO 0.00 0.23 0.06 -0.06 -1.07 0.00 0.00 179.97 179.13 2kqn s PHE 62 N -4.53 3.55 -0.10 3.04 0.08 -0.97 0.41 117.98 119.46 2kqn s PHE 62 Ca -0.04 1.26 -0.18 0.00 0.12 0.00 0.00 56.93 58.09 2kqn s PHE 62 Cb 0.15 -2.53 0.04 0.00 -0.57 0.00 0.00 43.02 40.11 2kqn s PHE 62 CO 0.70 0.28 0.46 -1.12 -0.10 0.00 0.00 175.22 175.44 2kqn s SER 63 N -1.88 -0.43 -0.01 1.36 0.01 -0.18 -4.93 113.70 107.65 2kqn s SER 63 Ca 0.46 0.64 0.00 0.00 1.31 0.00 0.00 55.95 58.36 2kqn s SER 63 Cb -0.14 0.69 0.01 0.00 0.21 0.00 0.00 66.02 66.78 2kqn s SER 63 CO 0.20 -0.33 0.00 -0.83 0.41 0.00 0.00 173.24 172.69 2kqn s GLY 64 N -0.50 0.05 -0.11 3.44 0.00 -1.26 0.05 107.32 108.98 2kqn s GLY 64 Ca -0.06 0.06 -0.07 0.00 0.00 0.00 0.00 44.72 44.65 2kqn s GLY 64 CO 0.03 0.17 0.27 -1.35 0.00 0.00 0.00 173.10 172.22 2kqn s SER 65 N 0.28 -0.29 0.00 1.64 1.04 0.86 -4.06 113.70 113.17 2kqn s SER 65 Ca -0.02 0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.97 2kqn s SER 65 Cb -0.04 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2kqn s SER 65 CO -0.01 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.68 2kqn n GLY 66 N 3.85 2.16 3.62 7.32 0.00 -1.26 -0.17 105.19 120.72 2kqn n GLY 66 Ca -0.21 -1.57 -0.06 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.27 0.00 1.61 1.04 -0.40 -4.57 113.70 111.11 2kqn s SER 67 Ca 0.00 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.24 2kqn s SER 67 Cb 0.00 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2kqn s SER 67 CO 0.00 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.08 2kqn n GLY 68 N -0.36 1.39 0.00 7.32 0.00 0.04 -2.56 105.19 111.02 2kqn n GLY 68 Ca -0.08 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -4.11 2.61 -2.24 -1.26 -2.21 114.28 107.07 2kqn n THR 69 Ca 0.00 -0.31 -0.22 0.00 -2.27 0.00 0.00 64.05 61.25 2kqn n THR 69 Cb 0.00 0.88 -0.17 0.00 -2.10 0.00 0.00 70.33 68.95 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 -0.93 0.95 -0.01 -0.78 2.02 -1.06 -1.57 118.70 117.31 2kqn s GLU 70 Ca 0.00 -0.11 0.02 0.00 0.02 0.00 0.00 54.97 54.90 2kqn s GLU 70 Cb 0.00 -0.99 0.00 0.00 0.10 0.00 0.00 34.13 33.24 2kqn s GLU 70 CO 0.00 -0.13 -0.07 -0.06 0.02 0.00 0.00 175.26 175.02 2kqn s PHE 71 N 1.15 0.71 -0.08 1.61 0.08 -0.01 -1.27 117.98 120.17 2kqn s PHE 71 Ca -0.07 -0.15 0.05 0.00 0.12 0.00 0.00 56.93 56.87 2kqn s PHE 71 Cb -0.14 -0.50 -0.01 0.00 -0.57 0.00 0.00 43.02 41.81 2kqn s PHE 71 CO -0.01 -0.05 -0.23 0.99 -0.10 0.00 0.00 175.22 175.81 2kqn s THR 72 N 0.06 2.19 -0.12 0.64 2.01 0.77 -0.96 115.64 120.23 2kqn s THR 72 Ca -0.00 -1.00 0.03 0.00 0.31 0.00 0.00 61.69 61.03 2kqn s THR 72 Cb -0.06 -1.82 0.00 0.00 0.01 0.00 0.00 72.50 70.63 2kqn s THR 72 CO -0.00 0.56 -0.22 0.12 -0.69 0.00 0.00 174.62 174.39 2kqn s PHE 73 N 0.08 2.63 -0.08 4.92 5.36 0.78 -0.10 117.98 131.57 2kqn s PHE 73 Ca -0.10 -1.12 0.02 0.00 -0.96 0.00 0.00 56.93 54.76 2kqn s PHE 73 Cb -0.16 -1.77 0.02 0.00 -0.34 0.00 0.00 43.02 40.77 2kqn s PHE 73 CO 0.06 -0.47 -0.12 0.99 -1.46 0.00 0.00 175.22 174.22 2kqn s THR 74 N 0.53 1.16 -0.34 0.12 2.01 0.11 0.09 115.64 119.31 2kqn s THR 74 Ca -0.14 -0.46 -0.15 0.00 0.31 0.00 0.00 61.69 61.25 2kqn s THR 74 Cb -0.17 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.25 2kqn s THR 74 CO 0.05 0.37 0.37 -0.63 -0.69 0.00 0.00 174.62 174.08 2kqn s ILE 75 N 0.93 5.16 0.17 1.82 1.01 0.20 -1.01 121.20 129.47 2kqn s ILE 75 Ca -0.09 0.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.54 2kqn s ILE 75 Cb -0.15 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 2kqn s ILE 75 CO 0.00 -0.10 1.54 -1.28 0.00 0.00 0.00 174.94 175.11 2kqn h SER 76 N 8.46 0.91 -2.77 3.58 0.87 -0.34 -2.15 113.55 122.11 2kqn h SER 76 Ca -0.30 -0.38 -0.43 0.00 -1.23 0.00 0.00 61.79 59.45 2kqn h SER 76 Cb 1.14 -0.25 -0.39 0.00 -0.44 0.00 0.00 62.40 62.46 2kqn h SER 76 CO 0.70 1.15 -0.71 -0.44 -0.53 0.00 0.00 176.83 176.99 2kqn s SER 77 N -6.80 2.31 0.13 6.23 0.01 -1.26 -4.20 113.70 110.11 2kqn s SER 77 Ca -0.10 -0.68 -0.31 0.00 1.31 0.00 0.00 55.95 56.17 2kqn s SER 77 Cb 0.12 -0.03 -0.08 0.00 0.21 0.00 0.00 66.02 66.23 2kqn s SER 77 CO 0.86 -0.37 1.42 -0.22 0.41 0.00 0.00 173.24 175.35 2kqn s LEU 78 N 2.20 4.37 0.14 2.44 1.98 -0.87 -4.76 118.68 124.18 2kqn s LEU 78 Ca 0.06 2.39 0.11 0.00 -2.89 0.00 0.00 54.13 53.79 2kqn s LEU 78 Cb -0.16 -3.59 -0.04 0.00 0.66 0.00 0.00 46.19 43.06 2kqn s LEU 78 CO -0.19 -0.68 -0.26 -1.10 -1.89 0.00 0.00 176.35 172.23 2kqn s GLN 79 N 1.06 1.43 0.31 1.98 -1.52 -1.26 -0.41 119.66 121.26 2kqn s GLN 79 Ca 0.65 -1.37 0.07 0.00 -1.95 0.00 0.00 55.36 52.77 2kqn s GLN 79 Cb -0.38 -1.90 0.81 0.00 -0.22 0.00 0.00 33.01 31.32 2kqn s GLN 79 CO 0.31 0.44 1.73 -1.35 -0.25 0.00 0.00 175.29 176.17 2kqn h PRO 80 N 3.78 0.56 0.00 2.91 0.11 -1.99 -0.02 132.00 137.36 2kqn h PRO 80 Ca -0.50 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 2kqn h PRO 80 Cb 1.17 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2kqn h PRO 80 CO 0.40 0.37 -0.15 1.05 -0.21 0.00 0.00 178.00 179.46 2kqn h GLU 81 N 0.58 0.00 -0.10 1.05 4.11 -2.02 -3.10 114.58 115.09 2kqn h GLU 81 Ca 0.61 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.04 2kqn h GLU 81 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2kqn h GLU 81 CO -0.47 0.15 0.00 -0.25 0.07 0.00 0.00 179.01 178.52 2kqn n ASP 82 N -3.28 1.09 -4.66 3.06 8.00 -0.02 -4.72 116.55 116.02 2kqn n ASP 82 Ca 0.01 -1.59 -0.42 0.00 0.71 0.00 0.00 54.79 53.50 2kqn n ASP 82 Cb 0.41 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 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 -1.61 4.32 0.05 0.64 0.20 -1.17 -4.86 118.68 116.24 2kqn s LEU 83 Ca 0.32 2.22 -0.27 0.00 0.69 0.00 0.00 54.13 57.09 2kqn s LEU 83 Cb 0.16 -3.54 0.09 0.00 -0.43 0.00 0.00 46.19 42.48 2kqn s LEU 83 CO 0.26 -0.90 1.19 0.00 -0.29 0.00 0.00 176.35 176.60 2kqn s ALA 84 N 3.80 -2.10 -0.28 5.97 0.00 -1.25 -4.83 121.76 123.07 2kqn s ALA 84 Ca 0.72 0.09 -0.15 0.00 0.00 0.00 0.00 51.96 52.62 2kqn s ALA 84 Cb -0.33 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 2kqn s ALA 84 CO 0.29 -1.10 0.36 0.99 0.00 0.00 0.00 175.76 176.31 2kqn s THR 85 N -2.25 5.18 0.05 0.00 2.01 -1.17 -2.15 115.64 117.31 2kqn s THR 85 Ca 0.22 0.46 -0.07 0.00 0.31 0.00 0.00 61.69 62.62 2kqn s THR 85 Cb 0.00 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 2kqn s THR 85 CO 0.00 0.12 0.31 -0.31 -0.69 0.00 0.00 174.62 174.05 2kqn s TYR 86 N 2.06 3.56 0.23 4.92 1.51 -1.10 0.45 117.35 128.98 2kqn s TYR 86 Ca 0.14 0.60 -0.16 0.00 -1.01 0.00 0.00 57.07 56.64 2kqn s TYR 86 Cb -0.16 -2.02 0.01 0.00 -0.11 0.00 0.00 41.96 39.69 2kqn s TYR 86 CO 0.10 0.56 0.52 1.52 -1.11 0.00 0.00 175.55 177.14 2kqn s TYR 87 N -1.39 0.10 -0.01 2.71 -0.85 -0.13 -4.08 117.35 113.69 2kqn s TYR 87 Ca 0.31 -0.47 0.05 0.00 -0.52 0.00 0.00 57.07 56.44 2kqn s TYR 87 Cb -0.13 0.33 -0.01 0.00 0.38 0.00 0.00 41.96 42.53 2kqn s TYR 87 CO 0.19 -0.98 -0.16 0.00 -1.52 0.00 0.00 175.55 173.08 2kqn s GLN 89 N -0.34 1.41 0.10 0.00 2.00 0.85 -0.38 119.66 123.30 2kqn s GLN 89 Ca 0.05 -0.28 -0.00 0.00 -2.00 0.00 0.00 55.36 53.13 2kqn s GLN 89 Cb -0.06 -1.30 -0.04 0.00 0.80 0.00 0.00 33.01 32.40 2kqn s GLN 89 CO -0.00 -0.09 0.26 1.14 -0.50 0.00 0.00 175.29 176.10 2kqn s GLN 90 N 1.04 3.47 -0.09 1.67 1.03 -1.24 0.01 119.66 125.56 2kqn s GLN 90 Ca -0.08 -0.40 0.19 0.00 0.04 0.00 0.00 55.36 55.11 2kqn s GLN 90 Cb -0.14 -2.98 0.41 0.00 0.03 0.00 0.00 33.01 30.32 2kqn s GLN 90 CO -0.00 0.56 1.18 2.48 -2.54 0.00 0.00 175.29 176.97 2kqn n TYR 91 N 0.05 0.00 -0.03 9.60 4.11 -0.89 -4.56 117.16 125.44 2kqn n TYR 91 Ca -0.05 -0.89 -0.20 0.00 -0.00 0.00 0.00 57.90 56.76 2kqn n TYR 91 Cb 0.52 -0.19 -0.13 0.00 -0.00 0.00 0.00 39.34 39.54 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 0.95 0.24 -3.98 9.48 3.58 -1.85 -3.48 116.42 121.35 2kqn h ASP 92 Ca -0.13 -0.81 -0.16 0.00 0.42 0.00 0.00 57.03 56.35 2kqn h ASP 92 Cb 1.51 -0.08 -0.25 0.00 1.72 0.00 0.00 39.33 42.24 2kqn h ASP 92 CO 0.06 1.46 -0.44 0.21 -2.88 0.00 0.00 179.24 177.65 2kqn s ASN 93 N -6.84 -0.22 0.34 2.28 2.47 -1.26 -5.12 114.94 106.60 2kqn s ASN 93 Ca -0.21 0.39 -0.23 0.00 0.42 0.00 0.00 52.86 53.23 2kqn s ASN 93 Cb 0.03 0.44 -0.10 0.00 -1.45 0.00 0.00 41.25 40.17 2kqn s ASN 93 CO 0.72 -0.13 0.91 -0.76 -3.72 0.00 0.00 177.10 174.12 2kqn s LEU 94 N -0.09 4.20 0.52 3.21 1.43 -1.26 -4.03 118.68 122.67 2kqn s LEU 94 Ca -0.02 1.70 -0.16 0.00 -1.03 0.00 0.00 54.13 54.63 2kqn s LEU 94 Cb -0.02 -4.12 -0.07 0.00 0.03 0.00 0.00 46.19 42.00 2kqn s LEU 94 CO 0.01 -0.15 0.97 -2.16 0.23 0.00 0.00 176.35 175.25 2kqn s PRO 95 N -2.44 3.91 0.05 1.29 0.04 -1.26 -4.90 135.00 131.69 2kqn s PRO 95 Ca 0.53 0.90 -0.15 0.00 0.04 0.00 0.00 61.00 62.32 2kqn s PRO 95 Cb -0.15 -2.15 -0.06 0.00 0.04 0.00 0.00 34.50 32.18 2kqn s PRO 95 CO 0.20 -0.28 0.47 0.71 0.04 0.00 0.00 177.00 178.13 2kqn s TYR 96 N -2.65 3.71 0.05 0.56 2.02 -1.26 -4.43 117.35 115.35 2kqn s TYR 96 Ca 0.58 1.04 0.03 0.00 -0.37 0.00 0.00 57.07 58.35 2kqn s TYR 96 Cb -0.10 -2.33 -0.03 0.00 -0.40 0.00 0.00 41.96 39.11 2kqn s TYR 96 CO 0.33 0.58 -0.10 0.95 -1.57 0.00 0.00 175.55 175.74 2kqn s THR 97 N -1.19 0.75 -0.08 -0.71 -4.23 -1.26 -5.01 115.64 103.90 2kqn s THR 97 Ca 0.28 -1.13 -0.10 0.00 -1.18 0.00 0.00 61.69 59.57 2kqn s THR 97 Cb -0.17 -0.77 -0.05 0.00 1.34 0.00 0.00 72.50 72.85 2kqn s THR 97 CO 0.16 -0.30 0.23 -0.36 -0.54 0.00 0.00 174.62 173.82 2kqn s PHE 98 N -1.29 3.63 -0.70 3.99 0.40 -1.26 -3.70 117.98 119.06 2kqn s PHE 98 Ca -0.06 0.68 -0.13 0.00 -0.60 0.00 0.00 56.93 56.81 2kqn s PHE 98 Cb -0.10 -2.08 0.18 0.00 0.51 0.00 0.00 43.02 41.54 2kqn s PHE 98 CO 0.01 0.68 0.63 0.20 0.70 0.00 0.00 175.22 177.43 2kqn s GLY 99 N -0.95 2.43 -0.11 4.36 0.00 0.49 -4.72 107.32 108.82 2kqn s GLY 99 Ca 0.18 -3.03 0.02 0.00 0.00 0.00 0.00 44.72 41.89 2kqn s GLY 99 CO 0.07 1.22 1.13 0.61 0.00 0.00 0.00 173.10 176.13 2kqn n GLN 100 N 4.37 1.67 0.00 2.90 0.00 -1.26 -3.49 117.38 121.57 2kqn n GLN 100 Ca 0.03 -0.92 0.06 0.00 0.00 0.00 0.00 57.00 56.17 2kqn n GLN 100 Cb 0.44 -1.49 0.37 0.00 0.00 0.00 0.00 30.24 29.55 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 0.07 -0.64 2.75 2.61 0.00 -1.26 -4.65 105.19 104.06 2kqn n GLY 101 Ca 0.15 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 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 0.05 -0.13 2.61 2.01 -1.24 -2.68 115.64 114.26 2kqn s THR 102 Ca 0.19 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.44 2kqn s THR 102 Cb 0.09 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.36 2kqn s THR 102 CO 0.14 0.16 -0.15 -0.75 -0.69 0.00 0.00 174.62 173.34 2kqn s LYS 103 N 1.60 3.33 -0.15 4.92 2.36 -0.49 -2.71 119.74 128.60 2kqn s LYS 103 Ca -0.02 -0.72 -0.08 0.00 -2.55 0.00 0.00 55.97 52.60 2kqn s LYS 103 Cb -0.13 -2.58 -0.04 0.00 -1.05 0.00 0.00 37.83 34.03 2kqn s LYS 103 CO -0.03 0.20 0.14 -1.17 1.55 0.00 0.00 175.35 176.04 2kqn s LEU 104 N 0.37 4.33 0.21 5.43 2.96 -0.91 -1.38 118.68 129.69 2kqn s LEU 104 Ca -0.12 0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.22 2kqn s LEU 104 Cb -0.16 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 2kqn s LEU 104 CO 0.06 0.33 -0.01 -1.61 -1.32 0.00 0.00 176.35 173.79 2kqn s GLU 105 N -0.54 1.27 -0.15 1.98 0.41 -0.86 -3.83 118.70 116.99 2kqn s GLU 105 Ca 0.13 -1.63 -0.03 0.00 -0.41 0.00 0.00 54.97 53.03 2kqn s GLU 105 Cb -0.12 -0.55 -0.03 0.00 -1.78 0.00 0.00 34.13 31.65 2kqn s GLU 105 CO 0.02 -0.08 -0.04 0.42 -0.49 0.00 0.00 175.26 175.09 2kqn s ILE 106 N -3.45 3.90 -0.46 -1.63 1.01 -1.24 0.30 121.20 119.63 2kqn s ILE 106 Ca 0.26 -0.36 -0.29 0.00 0.00 0.00 0.00 60.65 60.26 2kqn s ILE 106 Cb 0.05 -2.70 0.03 0.00 0.01 0.00 0.00 42.46 39.85 2kqn s ILE 106 CO 0.07 0.51 1.13 -0.54 0.00 0.00 0.00 174.94 176.11 2kqn s LYS 107 N 0.21 3.76 0.00 2.79 1.02 -0.77 -4.77 119.74 121.97 2kqn s LYS 107 Ca -0.02 0.62 0.00 0.00 0.02 0.00 0.00 55.97 56.59 2kqn s LYS 107 Cb -0.14 -3.89 0.00 0.00 -0.52 0.00 0.00 37.83 33.28 2kqn s LYS 107 CO 0.03 -1.33 0.00 -2.13 -0.92 0.00 0.00 175.35 170.99