#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 4.91 -0.17 2.12 1.01 -1.26 -4.69 121.20 123.11 2kqn s ILE 2 Ca 0.00 -0.93 -0.27 0.00 0.00 0.00 0.00 60.65 59.44 2kqn s ILE 2 Cb 0.00 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 2kqn s ILE 2 CO 0.00 -0.39 0.94 -1.58 0.00 0.00 0.00 174.94 173.91 2kqn s GLN 3 N 1.60 4.31 -0.47 2.79 -0.44 -1.26 -4.36 119.66 121.83 2kqn s GLN 3 Ca 0.04 1.22 -0.18 0.00 -2.50 0.00 0.00 55.36 53.93 2kqn s GLN 3 Cb -0.21 -3.59 0.05 0.00 -1.64 0.00 0.00 33.01 27.62 2kqn s GLN 3 CO 0.07 -0.43 0.55 -1.64 0.50 0.00 0.00 175.29 174.34 2kqn s MET 4 N 2.47 3.11 -0.26 1.67 -1.94 -1.26 -1.46 119.30 121.62 2kqn s MET 4 Ca 0.42 -0.87 -0.15 0.00 -1.71 0.00 0.00 55.69 53.38 2kqn s MET 4 Cb -0.16 -4.06 -0.04 0.00 2.01 0.00 0.00 34.83 32.58 2kqn s MET 4 CO 0.12 -1.08 0.37 0.99 -0.01 0.00 0.00 175.02 175.41 2kqn s THR 5 N 2.38 5.18 -0.04 2.05 2.01 0.46 -4.02 115.64 123.67 2kqn s THR 5 Ca 0.13 0.57 0.06 0.00 0.31 0.00 0.00 61.69 62.76 2kqn s THR 5 Cb -0.19 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.60 2kqn s THR 5 CO 0.12 0.17 -0.20 -1.58 -0.69 0.00 0.00 174.62 172.44 2kqn s GLN 6 N 2.00 2.34 0.03 4.92 0.74 -1.26 0.26 119.66 128.69 2kqn s GLN 6 Ca 0.15 -0.80 -0.03 0.00 0.05 0.00 0.00 55.36 54.73 2kqn s GLN 6 Cb -0.16 -2.23 -0.02 0.00 1.10 0.00 0.00 33.01 31.71 2kqn s GLN 6 CO 0.10 0.58 0.02 -1.12 -0.55 0.00 0.00 175.29 174.32 2kqn s SER 7 N -0.64 0.25 0.88 6.67 0.01 0.52 -4.28 113.70 117.11 2kqn s SER 7 Ca 0.10 -0.58 -0.13 0.00 1.31 0.00 0.00 55.95 56.65 2kqn s SER 7 Cb -0.11 0.17 0.15 0.00 0.21 0.00 0.00 66.02 66.44 2kqn s SER 7 CO 0.00 -0.43 1.24 -2.16 0.41 0.00 0.00 173.24 172.30 2kqn s PRO 8 N -2.28 1.24 0.28 12.44 0.04 -1.26 -0.21 135.00 145.24 2kqn s PRO 8 Ca -0.08 -0.27 0.02 0.00 0.04 0.00 0.00 61.00 60.71 2kqn s PRO 8 Cb -0.04 -1.93 0.41 0.00 0.04 0.00 0.00 34.50 32.98 2kqn s PRO 8 CO -0.04 -2.01 1.73 0.77 0.04 0.00 0.00 177.00 177.49 2kqn h SER 9 N -1.32 0.51 -3.52 6.66 0.02 -1.79 -3.33 113.55 110.77 2kqn h SER 9 Ca -0.44 -0.17 0.06 0.00 -0.84 0.00 0.00 61.79 60.39 2kqn h SER 9 Cb 1.27 -0.14 -0.25 0.00 0.14 0.00 0.00 62.40 63.43 2kqn h SER 9 CO 0.49 0.74 0.45 -0.94 -1.14 0.00 0.00 176.83 176.43 2kqn s SER 10 N -6.80 -0.45 -0.15 3.07 1.04 -1.26 -0.85 113.70 108.29 2kqn s SER 10 Ca -0.07 0.78 -0.13 0.00 0.48 0.00 0.00 55.95 57.01 2kqn s SER 10 Cb 0.14 0.76 0.04 0.00 0.10 0.00 0.00 66.02 67.06 2kqn s SER 10 CO 0.79 -0.22 0.40 -1.48 0.98 0.00 0.00 173.24 173.71 2kqn s LEU 11 N -0.13 0.41 -0.15 2.42 2.34 -0.35 -4.91 118.68 118.31 2kqn s LEU 11 Ca 0.01 0.81 -0.07 0.00 0.06 0.00 0.00 54.13 54.95 2kqn s LEU 11 Cb -0.04 1.37 -0.04 0.00 -0.56 0.00 0.00 46.19 46.92 2kqn s LEU 11 CO -0.03 -0.15 0.09 -0.94 -1.06 0.00 0.00 176.35 174.26 2kqn s SER 12 N 0.34 5.90 -0.03 1.48 1.04 -1.26 -1.67 113.70 119.51 2kqn s SER 12 Ca -0.01 0.25 -0.02 0.00 0.48 0.00 0.00 55.95 56.64 2kqn s SER 12 Cb -0.03 -1.93 0.01 0.00 0.10 0.00 0.00 66.02 64.17 2kqn s SER 12 CO -0.01 0.29 0.07 0.00 0.98 0.00 0.00 173.24 174.58 2kqn s ALA 13 N -0.33 -0.17 0.41 5.32 0.00 0.18 -4.72 121.76 122.44 2kqn s ALA 13 Ca 0.10 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.28 2kqn s ALA 13 Cb -0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 2kqn s ALA 13 CO 0.01 -0.04 0.62 0.45 0.00 0.00 0.00 175.76 176.81 2kqn s SER 14 N 0.09 5.99 0.20 0.00 0.15 -1.26 -2.89 113.70 115.98 2kqn s SER 14 Ca -0.00 0.31 -0.32 0.00 0.70 0.00 0.00 55.95 56.63 2kqn s SER 14 Cb -0.01 -1.67 -0.13 0.00 -1.71 0.00 0.00 66.02 62.49 2kqn s SER 14 CO -0.00 -0.56 1.57 1.33 1.20 0.00 0.00 173.24 176.78 2kqn n VAL 15 N -1.96 0.34 0.00 4.45 0.24 -1.26 -1.69 118.33 118.45 2kqn n VAL 15 Ca -0.01 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 2kqn n VAL 15 Cb 0.57 -1.65 0.00 0.00 -1.47 0.00 0.00 33.84 31.29 2kqn n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kqn n GLY 16 N 3.07 2.63 3.87 7.63 0.00 0.88 -4.92 105.19 118.34 2kqn n GLY 16 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.47 6.35 0.01 1.61 1.11 -0.68 -4.50 116.67 119.10 2kqn s ASP 17 Ca 0.00 1.38 -0.06 0.00 0.18 0.00 0.00 52.55 54.04 2kqn s ASP 17 Cb 0.00 -2.44 -0.05 0.00 1.07 0.00 0.00 42.92 41.50 2kqn s ASP 17 CO 0.00 -0.73 0.27 -0.13 1.18 0.00 0.00 175.17 175.76 2kqn s ARG 18 N -4.76 3.58 -0.07 8.23 0.52 -1.26 -0.92 118.95 124.26 2kqn s ARG 18 Ca 0.55 -0.09 0.01 0.00 -0.52 0.00 0.00 55.73 55.67 2kqn s ARG 18 Cb -0.11 -3.07 0.02 0.00 0.52 0.00 0.00 34.95 32.32 2kqn s ARG 18 CO 0.46 0.64 -0.07 0.08 0.02 0.00 0.00 175.30 176.42 2kqn s VAL 19 N -1.32 0.85 -0.21 3.52 1.01 -0.69 -4.95 120.40 118.61 2kqn s VAL 19 Ca 0.28 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 2kqn s VAL 19 Cb -0.13 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 2kqn s VAL 19 CO 0.17 0.31 -0.06 -0.89 0.00 0.00 0.00 175.10 174.63 2kqn s THR 20 N 1.19 3.28 -0.01 3.92 2.01 -1.26 -0.40 115.64 124.37 2kqn s THR 20 Ca -0.06 -0.53 0.06 0.00 0.31 0.00 0.00 61.69 61.48 2kqn s THR 20 Cb -0.14 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 2kqn s THR 20 CO -0.02 0.44 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.53 2kqn s ILE 21 N 1.42 2.72 -0.01 1.82 1.01 0.16 -4.59 121.20 123.73 2kqn s ILE 21 Ca 0.05 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.76 2kqn s ILE 21 Cb -0.14 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 2kqn s ILE 21 CO -0.04 0.51 -0.08 -0.89 0.00 0.00 0.00 174.94 174.45 2kqn s THR 22 N -0.76 0.64 -0.06 2.92 2.01 0.70 0.17 115.64 121.27 2kqn s THR 22 Ca 0.12 -0.35 0.05 0.00 0.31 0.00 0.00 61.69 61.82 2kqn s THR 22 Cb -0.10 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.85 2kqn s THR 22 CO 0.01 0.18 -0.20 0.00 -0.69 0.00 0.00 174.62 173.93 2kqn s GLN 24 N -0.36 2.64 -0.04 0.00 -0.21 0.14 -1.40 119.66 120.43 2kqn s GLN 24 Ca 0.03 -0.78 -0.02 0.00 0.02 0.00 0.00 55.36 54.61 2kqn s GLN 24 Cb -0.12 -2.06 -0.04 0.00 1.00 0.00 0.00 33.01 31.79 2kqn s GLN 24 CO 0.02 0.19 0.08 0.00 -2.12 0.00 0.00 175.29 173.46 2kqn s ALA 25 N 0.29 3.59 0.18 6.09 0.00 -0.86 -0.41 121.76 130.64 2kqn s ALA 25 Ca -0.15 -0.82 -0.10 0.00 0.00 0.00 0.00 51.96 50.89 2kqn s ALA 25 Cb -0.16 -1.63 0.07 0.00 0.00 0.00 0.00 23.12 21.39 2kqn s ALA 25 CO 0.07 0.66 1.66 1.03 0.00 0.00 0.00 175.76 179.18 2kqn h SER 26 N 4.42 0.98 -3.42 0.00 0.87 -1.57 -3.45 113.55 111.39 2kqn h SER 26 Ca -0.50 -0.27 -0.43 0.00 -1.23 0.00 0.00 61.79 59.36 2kqn h SER 26 Cb 1.19 -0.26 -0.15 0.00 -0.44 0.00 0.00 62.40 62.74 2kqn h SER 26 CO 0.60 1.01 -0.74 -1.10 -0.53 0.00 0.00 176.83 176.07 2kqn s GLN 27 N -5.17 1.26 0.15 2.24 1.11 -1.26 -4.95 119.66 113.03 2kqn s GLN 27 Ca -0.12 -1.52 -0.30 0.00 0.01 0.00 0.00 55.36 53.42 2kqn s GLN 27 Cb 0.13 -1.04 -0.08 0.00 -1.01 0.00 0.00 33.01 31.01 2kqn s GLN 27 CO 0.84 0.17 1.28 0.34 0.01 0.00 0.00 175.29 177.93 2kqn s ASP 28 N -3.17 6.96 -0.07 5.90 -1.08 -1.26 -4.78 116.67 119.17 2kqn s ASP 28 Ca 0.20 2.27 0.11 0.00 -0.52 0.00 0.00 52.55 54.62 2kqn s ASP 28 Cb -0.01 -2.60 0.29 0.00 -1.46 0.00 0.00 42.92 39.14 2kqn s ASP 28 CO 0.05 -0.51 1.22 2.30 0.52 0.00 0.00 175.17 178.75 2kqn n ILE 29 N 3.12 1.53 0.00 4.11 -5.35 -0.97 -5.00 119.36 116.79 2kqn n ILE 29 Ca 0.07 -1.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.05 2kqn n ILE 29 Cb 0.44 0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.48 2kqn n ILE 29 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2kqn n ASN 30 N -0.42 0.00 0.00 7.28 2.85 -1.26 -1.45 115.26 122.27 2kqn n ASN 30 Ca 0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 2kqn n ASN 30 Cb 0.55 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.57 2kqn n ASN 30 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2kqn n ASN 31 N 1.50 0.00 -4.50 1.20 5.15 -1.26 -0.20 115.26 117.15 2kqn n ASN 31 Ca 0.00 -1.00 -0.44 0.00 -0.60 0.00 0.00 54.58 52.54 2kqn n ASN 31 Cb 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2kqn n ASN 31 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2kqn s TYR 32 N 0.00 3.26 0.00 1.20 2.02 -0.53 -3.28 117.35 120.02 2kqn s TYR 32 Ca 0.00 -1.94 0.04 0.00 -0.37 0.00 0.00 57.07 54.79 2kqn s TYR 32 Cb 0.00 -4.46 -0.01 0.00 -0.40 0.00 0.00 41.96 37.09 2kqn s TYR 32 CO 0.00 -1.53 -0.12 -1.17 -1.57 0.00 0.00 175.55 171.16 2kqn s LEU 33 N 2.47 2.06 0.06 -1.29 1.98 -1.26 -2.93 118.68 119.77 2kqn s LEU 33 Ca 0.46 -0.27 0.06 0.00 -2.89 0.00 0.00 54.13 51.49 2kqn s LEU 33 Cb -0.01 -0.56 -0.03 0.00 0.66 0.00 0.00 46.19 46.26 2kqn s LEU 33 CO 0.02 0.10 -0.17 -0.63 -1.89 0.00 0.00 176.35 173.78 2kqn s ILE 34 N -0.43 1.39 -0.08 6.68 1.01 0.33 -0.45 121.20 129.64 2kqn s ILE 34 Ca 0.03 -1.24 0.04 0.00 0.00 0.00 0.00 60.65 59.49 2kqn s ILE 34 Cb -0.05 -1.26 -0.01 0.00 0.01 0.00 0.00 42.46 41.15 2kqn s ILE 34 CO -0.00 -0.01 -0.22 0.26 0.00 0.00 0.00 174.94 174.98 2kqn s TRP 35 N -0.99 2.56 0.25 3.97 0.52 0.19 -0.42 118.94 125.02 2kqn s TRP 35 Ca 0.03 -0.77 0.09 0.00 0.02 0.00 0.00 56.10 55.47 2kqn s TRP 35 Cb -0.09 -1.68 -0.05 0.00 -1.15 0.00 0.00 33.47 30.50 2kqn s TRP 35 CO 0.02 -0.25 -0.14 0.71 0.02 0.00 0.00 176.95 177.32 2kqn s TYR 36 N 0.04 1.95 -0.05 -1.98 1.51 0.12 -0.64 117.35 118.31 2kqn s TYR 36 Ca -0.09 -0.54 0.05 0.00 -1.01 0.00 0.00 57.07 55.49 2kqn s TYR 36 Cb -0.15 -0.95 -0.01 0.00 -0.11 0.00 0.00 41.96 40.74 2kqn s TYR 36 CO 0.05 0.44 -0.20 1.14 -1.11 0.00 0.00 175.55 175.88 2kqn s GLN 37 N -3.63 2.04 -0.34 -0.62 -2.07 -0.42 -2.57 119.66 112.05 2kqn s GLN 37 Ca 0.26 -0.71 -0.01 0.00 -1.82 0.00 0.00 55.36 53.09 2kqn s GLN 37 Cb -0.01 -1.75 0.08 0.00 -1.09 0.00 0.00 33.01 30.24 2kqn s GLN 37 CO 0.11 0.29 0.07 -0.65 -1.32 0.00 0.00 175.29 173.79 2kqn s GLN 38 N -0.03 2.10 -0.27 9.60 -1.52 0.10 -2.71 119.66 126.93 2kqn s GLN 38 Ca -0.04 -1.57 -0.10 0.00 -1.95 0.00 0.00 55.36 51.70 2kqn s GLN 38 Cb -0.12 -3.31 -0.04 0.00 -0.22 0.00 0.00 33.01 29.32 2kqn s GLN 38 CO 0.03 -0.83 0.16 0.15 -0.25 0.00 0.00 175.29 174.54 2kqn s LYS 39 N 1.14 3.87 -0.66 2.91 1.02 -1.26 -0.89 119.74 125.86 2kqn s LYS 39 Ca 0.02 -0.36 -0.37 0.00 0.02 0.00 0.00 55.97 55.27 2kqn s LYS 39 Cb -0.21 -3.57 -0.19 0.00 -0.52 0.00 0.00 37.83 33.35 2kqn s LYS 39 CO -0.04 -0.18 2.36 -2.30 -0.92 0.00 0.00 175.35 174.27 2kqn n PRO 40 N 5.02 0.17 0.00 -1.68 -0.02 -1.26 -2.44 135.00 134.80 2kqn n PRO 40 Ca -0.15 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2kqn n PRO 40 Cb 0.52 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 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 6.96 2.29 3.89 -1.23 0.00 -1.26 -5.13 105.19 110.72 2kqn n GLY 41 Ca 0.57 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 46.18 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 2.76 0.73 1.61 -2.07 -1.02 -5.12 119.66 116.55 2kqn s GLN 42 Ca 0.00 -1.29 -0.11 0.00 -1.82 0.00 0.00 55.36 52.13 2kqn s GLN 42 Cb 0.00 -2.53 0.03 0.00 -1.09 0.00 0.00 33.01 29.42 2kqn s GLN 42 CO 0.00 0.01 1.09 0.00 -1.32 0.00 0.00 175.29 175.07 2kqn s ALA 43 N -2.32 2.66 -0.27 2.60 0.00 -1.26 -4.80 121.76 118.37 2kqn s ALA 43 Ca 0.44 -0.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.86 2kqn s ALA 43 Cb -0.06 -3.07 -0.07 0.00 0.00 0.00 0.00 23.12 19.92 2kqn s ALA 43 CO 0.28 -1.33 2.24 -2.30 0.00 0.00 0.00 175.76 174.65 2kqn n PRO 44 N -3.15 1.70 -2.76 0.00 -0.02 -1.26 -4.91 135.00 124.59 2kqn n PRO 44 Ca 0.07 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 2kqn n PRO 44 Cb 0.56 -3.08 -0.03 0.00 -0.02 0.00 0.00 33.50 30.93 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 6.49 4.35 0.00 -0.52 2.20 -1.10 -4.85 119.74 126.30 2kqn s LYS 45 Ca 1.03 1.24 -0.30 0.00 -0.36 0.00 0.00 55.97 57.58 2kqn s LYS 45 Cb -0.44 -3.57 -0.06 0.00 -1.51 0.00 0.00 37.83 32.25 2kqn s LYS 45 CO 0.38 -0.37 1.47 -1.17 -0.36 0.00 0.00 175.35 175.30 2kqn s LEU 46 N 2.25 4.32 -0.11 5.43 0.20 -1.26 -1.31 118.68 128.21 2kqn s LEU 46 Ca 0.44 2.18 -0.08 0.00 0.69 0.00 0.00 54.13 57.36 2kqn s LEU 46 Cb -0.17 -3.56 -0.05 0.00 -0.43 0.00 0.00 46.19 41.98 2kqn s LEU 46 CO 0.14 -0.77 -0.18 -0.11 -0.29 0.00 0.00 176.35 175.14 2kqn n LEU 47 N 5.63 1.18 -4.12 -0.68 7.94 0.19 -4.92 117.00 122.22 2kqn n LEU 47 Ca 0.14 0.19 -0.22 0.00 -1.11 0.00 0.00 56.01 55.02 2kqn n LEU 47 Cb 0.43 -0.46 -0.15 0.00 0.53 0.00 0.00 43.42 43.78 2kqn n LEU 47 CO 0.60 0.01 -0.47 -0.63 -1.11 0.00 0.00 177.39 175.78 2kqn s ILE 48 N -2.33 1.13 0.24 1.96 1.01 -1.04 -2.37 121.20 119.80 2kqn s ILE 48 Ca -0.18 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.77 2kqn s ILE 48 Cb 0.06 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 2kqn s ILE 48 CO 0.24 0.24 0.12 -0.72 0.00 0.00 0.00 174.94 174.82 2kqn s TYR 49 N -0.46 1.40 -1.49 3.97 1.13 0.42 0.53 117.35 122.85 2kqn s TYR 49 Ca 0.05 -1.29 -0.04 0.00 -1.41 0.00 0.00 57.07 54.38 2kqn s TYR 49 Cb -0.06 -0.76 0.02 0.00 -1.10 0.00 0.00 41.96 40.06 2kqn s TYR 49 CO -0.00 -0.49 0.35 -3.47 -2.51 0.00 0.00 175.55 169.44 2kqn n ASP 50 N -0.46 -5.33 0.00 -0.18 2.03 -0.01 -0.65 116.55 111.95 2kqn n ASP 50 Ca 0.01 -0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2kqn n ASP 50 Cb 0.66 -4.38 0.00 0.00 -0.72 0.00 0.00 41.12 36.68 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 -2.99 0.00 -0.44 -1.67 0.00 0.40 -3.74 120.51 112.07 2kqn n ALA 51 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2kqn n ALA 51 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 1.08 -4.60 0.00 7.64 -1.23 -3.78 113.62 113.46 2kqn n SER 52 Ca 0.00 -1.52 -0.36 0.00 1.01 0.00 0.00 58.87 58.01 2kqn n SER 52 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 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 -0.52 4.90 0.10 0.44 2.01 0.17 -4.72 115.64 118.02 2kqn s THR 53 Ca 0.00 0.01 -0.28 0.00 0.31 0.00 0.00 61.69 61.73 2kqn s THR 53 Cb 0.00 -3.25 -0.06 0.00 0.01 0.00 0.00 72.50 69.20 2kqn s THR 53 CO 0.00 0.39 0.90 -0.76 -0.69 0.00 0.00 174.62 174.46 2kqn s LEU 54 N 0.88 4.50 0.51 4.42 1.43 -1.26 -0.43 118.68 128.72 2kqn s LEU 54 Ca 0.05 1.69 -0.19 0.00 -1.03 0.00 0.00 54.13 54.66 2kqn s LEU 54 Cb -0.13 -3.47 -0.07 0.00 0.03 0.00 0.00 46.19 42.54 2kqn s LEU 54 CO 0.03 -0.02 1.03 -0.70 0.23 0.00 0.00 176.35 176.92 2kqn s GLU 55 N -0.11 3.71 -0.21 1.70 2.56 -1.00 -4.92 118.70 120.44 2kqn s GLU 55 Ca 0.44 1.27 -0.38 0.00 0.00 0.00 0.00 54.97 56.29 2kqn s GLU 55 Cb -0.23 -2.09 -0.15 0.00 2.00 0.00 0.00 34.13 33.67 2kqn s GLU 55 CO 0.28 -0.50 1.77 2.41 -0.56 0.00 0.00 175.26 178.66 2kqn n THR 56 N -1.28 0.37 -0.87 -1.70 -1.04 -1.26 -1.95 114.28 106.55 2kqn n THR 56 Ca 0.09 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2kqn n THR 56 Cb 0.53 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 2kqn n THR 56 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kqn n GLY 57 N 4.19 0.61 3.72 3.41 0.00 -1.26 -5.05 105.19 110.81 2kqn n GLY 57 Ca 0.25 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 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 5.23 0.20 1.61 1.01 -0.82 -5.04 120.40 120.58 2kqn s VAL 58 Ca 0.00 0.80 -0.33 0.00 0.00 0.00 0.00 61.98 62.46 2kqn s VAL 58 Cb 0.00 -3.75 -0.13 0.00 0.00 0.00 0.00 36.38 32.50 2kqn s VAL 58 CO 0.00 0.34 1.57 -2.65 0.00 0.00 0.00 175.10 174.36 2kqn n PRO 59 N 3.71 2.27 0.00 2.72 -0.02 -1.26 -4.85 135.00 137.56 2kqn n PRO 59 Ca -0.09 0.81 0.06 0.00 -2.02 0.00 0.00 63.50 62.27 2kqn n PRO 59 Cb 0.52 -2.57 0.31 0.00 -0.02 0.00 0.00 33.50 31.74 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 3.14 0.00 0.15 2.55 7.64 -1.26 -1.99 113.62 123.84 2kqn n SER 60 Ca 0.15 0.19 0.05 0.00 1.01 0.00 0.00 58.87 60.26 2kqn n SER 60 Cb 0.31 -0.33 0.48 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.20 -6.86 1.43 3.08 -1.90 -3.42 114.38 106.91 2kqn h ARG 61 Ca 0.00 -0.03 -0.47 0.00 0.07 0.00 0.00 59.98 59.55 2kqn h ARG 61 Cb 0.14 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2kqn h ARG 61 CO 0.00 0.25 0.30 -0.06 -1.07 0.00 0.00 179.97 179.39 2kqn s PHE 62 N -4.94 3.63 -0.22 3.04 0.08 -0.84 0.11 117.98 118.84 2kqn s PHE 62 Ca -0.06 1.69 -0.20 0.00 0.12 0.00 0.00 56.93 58.48 2kqn s PHE 62 Cb 0.16 -2.86 0.06 0.00 -0.57 0.00 0.00 43.02 39.81 2kqn s PHE 62 CO 0.71 0.18 0.58 -1.54 -0.10 0.00 0.00 175.22 175.05 2kqn s SER 63 N -1.71 -0.60 -0.10 1.36 1.04 -0.60 -4.94 113.70 108.14 2kqn s SER 63 Ca 0.51 1.16 0.04 0.00 0.48 0.00 0.00 55.95 58.13 2kqn s SER 63 Cb -0.17 1.18 0.00 0.00 0.10 0.00 0.00 66.02 67.13 2kqn s SER 63 CO 0.22 -0.20 -0.22 -0.83 0.98 0.00 0.00 173.24 173.19 2kqn s GLY 64 N 0.32 1.26 -0.05 7.32 0.00 -1.26 -0.43 107.32 114.47 2kqn s GLY 64 Ca -0.00 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.82 2kqn s GLY 64 CO 0.01 -0.22 -0.05 -1.35 0.00 0.00 0.00 173.10 171.49 2kqn s SER 65 N 0.46 1.21 0.00 1.64 1.04 0.14 -3.93 113.70 114.26 2kqn s SER 65 Ca -0.17 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.11 2kqn s SER 65 Cb -0.17 -0.52 0.00 0.00 0.10 0.00 0.00 66.02 65.43 2kqn s SER 65 CO 0.07 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.83 2kqn n GLY 66 N 4.22 1.28 3.76 7.32 0.00 -1.26 0.01 105.19 120.51 2kqn n GLY 66 Ca -0.22 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.06 0.00 1.61 1.04 -0.19 -4.52 113.70 111.58 2kqn s SER 67 Ca 0.00 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.14 2kqn s SER 67 Cb 0.00 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2kqn s SER 67 CO 0.00 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2kqn n GLY 68 N -0.61 1.21 0.00 7.32 0.00 0.72 -2.13 105.19 111.70 2kqn n GLY 68 Ca -0.05 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -3.93 2.61 -2.24 -1.26 -2.30 114.28 107.16 2kqn n THR 69 Ca 0.00 -0.10 -0.35 0.00 -2.27 0.00 0.00 64.05 61.33 2kqn n THR 69 Cb 0.00 0.54 -0.14 0.00 -2.10 0.00 0.00 70.33 68.63 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 2.80 -0.10 -0.78 2.02 -0.91 -2.03 118.70 118.79 2kqn s GLU 70 Ca 0.00 -1.01 0.02 0.00 0.02 0.00 0.00 54.97 54.00 2kqn s GLU 70 Cb 0.00 -3.06 0.01 0.00 0.10 0.00 0.00 34.13 31.19 2kqn s GLU 70 CO 0.00 -0.44 -0.14 -0.06 0.02 0.00 0.00 175.26 174.64 2kqn s PHE 71 N 1.33 1.84 -0.14 1.61 0.08 -0.49 -1.03 117.98 121.18 2kqn s PHE 71 Ca -0.00 -0.81 0.02 0.00 0.12 0.00 0.00 56.93 56.26 2kqn s PHE 71 Cb -0.17 -1.33 0.01 0.00 -0.57 0.00 0.00 43.02 40.96 2kqn s PHE 71 CO -0.03 -0.42 -0.22 0.99 -0.10 0.00 0.00 175.22 175.44 2kqn s THR 72 N 0.90 2.12 -0.21 0.64 2.01 0.10 -0.57 115.64 120.64 2kqn s THR 72 Ca -0.09 -0.96 -0.04 0.00 0.31 0.00 0.00 61.69 60.91 2kqn s THR 72 Cb -0.15 -1.85 -0.01 0.00 0.01 0.00 0.00 72.50 70.50 2kqn s THR 72 CO 0.00 0.55 -0.03 0.12 -0.69 0.00 0.00 174.62 174.56 2kqn s PHE 73 N 0.77 2.97 -0.07 4.92 5.36 0.13 0.29 117.98 132.34 2kqn s PHE 73 Ca -0.08 -0.75 0.02 0.00 -0.96 0.00 0.00 56.93 55.16 2kqn s PHE 73 Cb -0.16 -2.08 0.01 0.00 -0.34 0.00 0.00 43.02 40.46 2kqn s PHE 73 CO -0.01 -0.42 -0.12 0.99 -1.46 0.00 0.00 175.22 174.21 2kqn s THR 74 N 1.23 1.13 -0.37 0.12 2.01 0.43 0.38 115.64 120.57 2kqn s THR 74 Ca 0.03 -0.46 -0.19 0.00 0.31 0.00 0.00 61.69 61.38 2kqn s THR 74 Cb -0.14 -1.05 0.01 0.00 0.01 0.00 0.00 72.50 71.32 2kqn s THR 74 CO -0.01 0.36 0.56 -0.63 -0.69 0.00 0.00 174.62 174.21 2kqn s ILE 75 N 0.83 4.95 0.29 1.82 1.01 0.47 -1.56 121.20 129.00 2kqn s ILE 75 Ca -0.11 0.29 0.05 0.00 0.00 0.00 0.00 60.65 60.88 2kqn s ILE 75 Cb -0.15 -4.04 0.05 0.00 0.01 0.00 0.00 42.46 38.32 2kqn s ILE 75 CO 0.02 -0.33 1.71 0.28 0.00 0.00 0.00 174.94 176.62 2kqn h SER 76 N 8.57 0.35 -2.36 3.58 0.02 -0.63 -1.84 113.55 121.23 2kqn h SER 76 Ca -0.27 -0.13 -0.26 0.00 -0.84 0.00 0.00 61.79 60.29 2kqn h SER 76 Cb 1.11 -0.10 -0.34 0.00 0.14 0.00 0.00 62.40 63.22 2kqn h SER 76 CO 0.81 0.67 -0.57 -0.55 -1.14 0.00 0.00 176.83 176.06 2kqn s SER 77 N -6.86 0.92 -0.04 3.07 0.15 -1.26 -4.41 113.70 105.27 2kqn s SER 77 Ca -0.06 -0.00 -0.30 0.00 0.70 0.00 0.00 55.95 56.29 2kqn s SER 77 Cb 0.14 0.64 -0.04 0.00 -1.71 0.00 0.00 66.02 65.05 2kqn s SER 77 CO 0.78 -0.31 1.21 -0.22 1.20 0.00 0.00 173.24 175.90 2kqn s LEU 78 N 2.40 4.29 0.20 3.45 1.98 -0.10 -4.83 118.68 126.08 2kqn s LEU 78 Ca 0.08 1.85 0.11 0.00 -2.89 0.00 0.00 54.13 53.27 2kqn s LEU 78 Cb -0.15 -3.56 -0.04 0.00 0.66 0.00 0.00 46.19 43.09 2kqn s LEU 78 CO -0.13 -0.58 -0.18 -1.10 -1.89 0.00 0.00 176.35 172.47 2kqn s GLN 79 N 2.12 1.73 0.53 1.98 -1.52 -1.26 -0.08 119.66 123.16 2kqn s GLN 79 Ca 0.56 -1.46 0.31 0.00 -1.95 0.00 0.00 55.36 52.82 2kqn s GLN 79 Cb -0.25 -1.95 1.46 0.00 -0.22 0.00 0.00 33.01 32.04 2kqn s GLN 79 CO 0.23 0.40 1.89 -1.35 -0.25 0.00 0.00 175.29 176.21 2kqn h PRO 80 N 2.99 0.02 0.00 2.91 0.11 -1.98 0.23 132.00 136.27 2kqn h PRO 80 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2kqn h PRO 80 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2kqn h PRO 80 CO 0.51 0.02 0.00 0.39 -0.21 0.00 0.00 178.00 178.71 2kqn n GLU 81 N -4.28 0.10 0.00 1.05 -0.58 -1.26 -2.73 120.64 112.93 2kqn n GLU 81 Ca 0.19 0.02 0.14 0.00 -0.42 0.00 0.00 57.16 57.08 2kqn n GLU 81 Cb 0.95 -1.50 0.43 0.00 -0.57 0.00 0.00 31.44 30.75 2kqn n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2kqn n ASP 82 N -1.45 1.66 -4.68 1.62 8.00 0.79 -4.86 116.55 117.63 2kqn n ASP 82 Ca 0.08 -1.49 -0.42 0.00 0.71 0.00 0.00 54.79 53.67 2kqn n ASP 82 Cb 0.31 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 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 -2.08 4.31 -0.06 0.64 1.98 -1.10 -4.94 118.68 117.42 2kqn s LEU 83 Ca 0.34 2.12 -0.31 0.00 -2.89 0.00 0.00 54.13 53.39 2kqn s LEU 83 Cb 0.21 -3.55 0.13 0.00 0.66 0.00 0.00 46.19 43.63 2kqn s LEU 83 CO 0.36 -0.78 1.36 0.00 -1.89 0.00 0.00 176.35 175.40 2kqn s ALA 84 N 2.87 -2.47 -0.12 5.97 0.00 -1.26 -4.87 121.76 121.88 2kqn s ALA 84 Ca 0.66 0.64 -0.24 0.00 0.00 0.00 0.00 51.96 53.02 2kqn s ALA 84 Cb -0.31 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 2kqn s ALA 84 CO 0.26 -1.09 0.74 0.99 0.00 0.00 0.00 175.76 176.67 2kqn s THR 85 N -2.14 4.98 -0.10 0.00 2.01 -0.07 -3.39 115.64 116.94 2kqn s THR 85 Ca 0.19 1.48 0.01 0.00 0.31 0.00 0.00 61.69 63.68 2kqn s THR 85 Cb 0.05 -4.07 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 2kqn s THR 85 CO -0.05 0.14 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.61 2kqn s TYR 86 N 1.48 2.83 0.20 4.92 2.02 -1.16 0.01 117.35 127.65 2kqn s TYR 86 Ca 0.37 -0.32 -0.16 0.00 -0.37 0.00 0.00 57.07 56.59 2kqn s TYR 86 Cb -0.17 -1.77 0.02 0.00 -0.40 0.00 0.00 41.96 39.64 2kqn s TYR 86 CO 0.15 0.04 0.49 1.52 -1.57 0.00 0.00 175.55 176.18 2kqn s TYR 87 N -0.21 -0.03 0.18 2.71 1.13 -1.06 -3.88 117.35 116.18 2kqn s TYR 87 Ca 0.01 -0.32 0.07 0.00 -1.41 0.00 0.00 57.07 55.42 2kqn s TYR 87 Cb -0.13 0.33 -0.04 0.00 -1.10 0.00 0.00 41.96 41.01 2kqn s TYR 87 CO 0.03 -0.90 -0.14 0.00 -2.51 0.00 0.00 175.55 172.03 2kqn s GLN 89 N -3.42 0.11 -0.06 0.00 1.03 0.44 0.11 119.66 117.87 2kqn s GLN 89 Ca 0.18 0.14 -0.04 0.00 0.04 0.00 0.00 55.36 55.68 2kqn s GLN 89 Cb -0.01 0.05 -0.04 0.00 0.03 0.00 0.00 33.01 33.04 2kqn s GLN 89 CO 0.05 -0.02 0.11 1.14 -2.54 0.00 0.00 175.29 174.04 2kqn s GLN 90 N 0.07 3.28 -0.21 9.60 1.03 -1.24 -0.51 119.66 131.68 2kqn s GLN 90 Ca -0.00 -0.29 0.12 0.00 0.04 0.00 0.00 55.36 55.23 2kqn s GLN 90 Cb -0.01 -3.03 0.42 0.00 0.03 0.00 0.00 33.01 30.42 2kqn s GLN 90 CO 0.00 0.72 1.27 2.48 -2.54 0.00 0.00 175.29 177.22 2kqn n TYR 91 N 1.60 0.30 -0.03 9.60 4.11 -1.15 -4.51 117.16 127.08 2kqn n TYR 91 Ca -0.16 -1.40 -0.21 0.00 -0.00 0.00 0.00 57.90 56.12 2kqn n TYR 91 Cb 0.54 -0.29 -0.13 0.00 -0.00 0.00 0.00 39.34 39.46 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 0.86 0.25 -3.84 9.48 3.58 -1.88 -3.48 116.42 121.39 2kqn h ASP 92 Ca 0.05 -0.78 -0.22 0.00 0.42 0.00 0.00 57.03 56.50 2kqn h ASP 92 Cb 1.17 -0.08 -0.27 0.00 1.72 0.00 0.00 39.33 41.87 2kqn h ASP 92 CO 0.10 1.57 -0.67 0.21 -2.88 0.00 0.00 179.24 177.56 2kqn s ASN 93 N -6.92 -0.02 0.35 2.28 2.47 -1.26 -5.12 114.94 106.71 2kqn s ASN 93 Ca -0.23 0.04 -0.21 0.00 0.42 0.00 0.00 52.86 52.88 2kqn s ASN 93 Cb 0.05 0.08 -0.10 0.00 -1.45 0.00 0.00 41.25 39.83 2kqn s ASN 93 CO 0.71 -0.04 0.87 -0.76 -3.72 0.00 0.00 177.10 174.16 2kqn s LEU 94 N -0.09 4.13 0.51 3.21 1.43 -1.26 -3.93 118.68 122.68 2kqn s LEU 94 Ca -0.01 1.60 -0.18 0.00 -1.03 0.00 0.00 54.13 54.50 2kqn s LEU 94 Cb -0.01 -4.16 -0.07 0.00 0.03 0.00 0.00 46.19 41.98 2kqn s LEU 94 CO 0.00 -0.19 1.02 -2.16 0.23 0.00 0.00 176.35 175.25 2kqn s PRO 95 N -2.67 3.75 -0.26 1.29 0.04 -1.26 -4.56 135.00 131.33 2kqn s PRO 95 Ca 0.54 1.20 -0.28 0.00 0.04 0.00 0.00 61.00 62.51 2kqn s PRO 95 Cb -0.13 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.32 2kqn s PRO 95 CO 0.18 -0.46 1.00 0.71 0.04 0.00 0.00 177.00 178.48 2kqn s TYR 96 N -2.27 3.29 -0.03 0.56 2.02 -1.25 -4.47 117.35 115.19 2kqn s TYR 96 Ca 0.64 1.32 -0.01 0.00 -0.37 0.00 0.00 57.07 58.65 2kqn s TYR 96 Cb -0.14 -3.33 -0.04 0.00 -0.40 0.00 0.00 41.96 38.06 2kqn s TYR 96 CO 0.26 -0.54 0.05 0.95 -1.57 0.00 0.00 175.55 174.71 2kqn s THR 97 N 3.23 4.61 -0.09 -0.71 -4.23 -1.26 -4.97 115.64 112.22 2kqn s THR 97 Ca 0.42 -0.34 -0.10 0.00 -1.18 0.00 0.00 61.69 60.49 2kqn s THR 97 Cb -0.14 -3.05 -0.05 0.00 1.34 0.00 0.00 72.50 70.60 2kqn s THR 97 CO 0.09 0.44 0.24 -0.36 -0.54 0.00 0.00 174.62 174.49 2kqn s PHE 98 N -1.09 3.62 -1.10 3.99 0.40 -1.26 -3.71 117.98 118.84 2kqn s PHE 98 Ca 0.19 0.69 -0.14 0.00 -0.60 0.00 0.00 56.93 57.07 2kqn s PHE 98 Cb -0.12 -2.10 0.18 0.00 0.51 0.00 0.00 43.02 41.50 2kqn s PHE 98 CO 0.10 0.65 1.26 0.20 0.70 0.00 0.00 175.22 178.12 2kqn s GLY 99 N -0.86 2.47 -0.13 4.36 0.00 0.12 -4.77 107.32 108.50 2kqn s GLY 99 Ca 0.18 -3.31 0.01 0.00 0.00 0.00 0.00 44.72 41.60 2kqn s GLY 99 CO 0.07 1.86 1.33 0.61 0.00 0.00 0.00 173.10 176.96 2kqn n GLN 100 N 5.21 1.35 -0.01 2.90 0.00 -1.26 -3.40 117.38 122.16 2kqn n GLN 100 Ca 0.30 -0.81 0.10 0.00 0.00 0.00 0.00 57.00 56.59 2kqn n GLN 100 Cb 0.44 -1.32 0.56 0.00 0.00 0.00 0.00 30.24 29.92 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 0.14 -0.73 2.89 2.61 0.00 -1.26 -4.79 105.19 104.05 2kqn n GLY 101 Ca 0.16 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.96 0.52 -0.13 2.61 2.01 -1.25 -3.06 115.64 114.38 2kqn s THR 102 Ca 0.31 -0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.20 2kqn s THR 102 Cb 0.15 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 72.09 2kqn s THR 102 CO 0.24 0.22 -0.11 -0.75 -0.69 0.00 0.00 174.62 173.54 2kqn s LYS 103 N 0.96 3.44 -0.11 4.92 2.47 -0.03 -2.98 119.74 128.40 2kqn s LYS 103 Ca -0.10 -0.64 -0.05 0.00 -1.56 0.00 0.00 55.97 53.62 2kqn s LYS 103 Cb -0.14 -2.70 -0.04 0.00 -1.46 0.00 0.00 37.83 33.49 2kqn s LYS 103 CO -0.00 0.23 0.08 -1.17 0.16 0.00 0.00 175.35 174.65 2kqn s LEU 104 N 0.32 4.02 0.05 5.43 2.96 -1.22 -1.21 118.68 129.03 2kqn s LEU 104 Ca -0.09 0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 54.13 2kqn s LEU 104 Cb -0.15 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 2kqn s LEU 104 CO 0.05 0.38 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.81 2kqn s GLU 105 N -0.90 0.57 -0.07 1.98 2.02 -0.67 -4.49 118.70 117.15 2kqn s GLU 105 Ca 0.14 -1.06 -0.17 0.00 0.02 0.00 0.00 54.97 53.90 2kqn s GLU 105 Cb -0.12 0.08 -0.05 0.00 0.10 0.00 0.00 34.13 34.14 2kqn s GLU 105 CO 0.03 -0.07 0.45 0.42 0.02 0.00 0.00 175.26 176.11 2kqn s ILE 106 N -3.10 5.11 -0.41 -1.63 -1.09 -1.24 0.49 121.20 119.34 2kqn s ILE 106 Ca 0.01 0.90 -0.28 0.00 -2.23 0.00 0.00 60.65 59.05 2kqn s ILE 106 Cb 0.02 -3.77 -0.01 0.00 -1.58 0.00 0.00 42.46 37.12 2kqn s ILE 106 CO -0.06 0.43 1.67 -0.54 -1.23 0.00 0.00 174.94 175.21 2kqn s LYS 107 N -0.08 3.31 0.00 2.79 1.02 -1.14 -4.76 119.74 120.88 2kqn s LYS 107 Ca 0.25 1.11 0.02 0.00 0.02 0.00 0.00 55.97 57.36 2kqn s LYS 107 Cb -0.16 -4.17 0.01 0.00 -0.52 0.00 0.00 37.83 33.00 2kqn s LYS 107 CO 0.11 -1.90 0.55 -2.13 -0.92 0.00 0.00 175.35 171.07