#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 4.97 -0.25 2.12 1.01 -1.26 -4.65 121.20 123.14 2kqn s ILE 2 Ca 0.00 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 59.58 2kqn s ILE 2 Cb 0.00 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 2kqn s ILE 2 CO 0.00 -0.41 0.26 -1.58 0.00 0.00 0.00 174.94 173.21 2kqn s GLN 3 N 1.61 4.05 -0.54 2.79 -0.44 -1.26 -4.21 119.66 121.65 2kqn s GLN 3 Ca 0.04 -0.12 -0.21 0.00 -2.50 0.00 0.00 55.36 52.57 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 -0.09 0.79 -1.64 0.50 0.00 0.00 175.29 174.92 2kqn s MET 4 N 1.50 3.20 -0.35 1.67 -1.94 -1.26 -1.68 119.30 120.44 2kqn s MET 4 Ca 0.11 -0.65 -0.19 0.00 -1.71 0.00 0.00 55.69 53.25 2kqn s MET 4 Cb -0.15 -4.10 -0.00 0.00 2.01 0.00 0.00 34.83 32.59 2kqn s MET 4 CO 0.08 -1.40 0.58 0.99 -0.01 0.00 0.00 175.02 175.26 2kqn s THR 5 N 3.32 4.95 -0.04 2.05 2.01 0.16 -3.78 115.64 124.30 2kqn s THR 5 Ca 0.22 0.49 0.03 0.00 0.31 0.00 0.00 61.69 62.74 2kqn s THR 5 Cb -0.16 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 2kqn s THR 5 CO 0.14 -0.26 -0.11 -1.58 -0.69 0.00 0.00 174.62 172.12 2kqn s GLN 6 N 2.56 2.56 0.04 4.92 0.74 -1.26 0.44 119.66 129.67 2kqn s GLN 6 Ca 0.22 -0.67 -0.04 0.00 0.05 0.00 0.00 55.36 54.92 2kqn s GLN 6 Cb -0.15 -2.45 -0.02 0.00 1.10 0.00 0.00 33.01 31.49 2kqn s GLN 6 CO 0.14 0.63 0.06 -1.12 -0.55 0.00 0.00 175.29 174.45 2kqn s SER 7 N -0.88 0.25 0.91 6.67 0.01 0.37 -4.03 113.70 117.01 2kqn s SER 7 Ca 0.13 -0.64 -0.14 0.00 1.31 0.00 0.00 55.95 56.60 2kqn s SER 7 Cb -0.11 0.21 0.15 0.00 0.21 0.00 0.00 66.02 66.49 2kqn s SER 7 CO 0.02 -0.52 1.24 -2.16 0.41 0.00 0.00 173.24 172.23 2kqn s PRO 8 N -2.87 1.09 0.35 12.44 0.04 -1.26 -0.49 135.00 144.31 2kqn s PRO 8 Ca -0.03 -0.13 0.04 0.00 0.04 0.00 0.00 61.00 60.93 2kqn s PRO 8 Cb 0.00 -1.87 0.65 0.00 0.04 0.00 0.00 34.50 33.33 2kqn s PRO 8 CO -0.06 -2.15 1.94 0.66 0.04 0.00 0.00 177.00 177.43 2kqn h SER 9 N -1.46 0.56 -3.11 6.66 4.64 -1.81 -3.34 113.55 115.69 2kqn h SER 9 Ca -0.46 -0.06 0.07 0.00 -0.47 0.00 0.00 61.79 60.87 2kqn h SER 9 Cb 1.28 -0.14 -0.26 0.00 -0.31 0.00 0.00 62.40 62.97 2kqn h SER 9 CO 0.51 0.52 0.43 -0.94 -0.87 0.00 0.00 176.83 176.48 2kqn s SER 10 N -6.66 -0.47 -0.05 4.97 1.04 -1.26 -2.08 113.70 109.19 2kqn s SER 10 Ca -0.08 0.88 -0.06 0.00 0.48 0.00 0.00 55.95 57.16 2kqn s SER 10 Cb 0.16 0.94 0.01 0.00 0.10 0.00 0.00 66.02 67.24 2kqn s SER 10 CO 0.76 -0.15 0.17 -1.48 0.98 0.00 0.00 173.24 173.52 2kqn s LEU 11 N 0.41 1.37 -0.04 2.42 2.34 -0.50 -4.93 118.68 119.75 2kqn s LEU 11 Ca 0.01 0.25 0.03 0.00 0.06 0.00 0.00 54.13 54.48 2kqn s LEU 11 Cb -0.05 0.62 -0.03 0.00 -0.56 0.00 0.00 46.19 46.17 2kqn s LEU 11 CO -0.08 -0.12 -0.10 -0.44 -1.06 0.00 0.00 176.35 174.55 2kqn s SER 12 N -0.19 4.35 -0.07 1.48 0.01 -1.26 -2.03 113.70 115.99 2kqn s SER 12 Ca -0.03 -0.14 -0.09 0.00 1.31 0.00 0.00 55.95 57.00 2kqn s SER 12 Cb -0.02 -0.99 0.02 0.00 0.21 0.00 0.00 66.02 65.24 2kqn s SER 12 CO 0.01 0.33 0.24 0.00 0.41 0.00 0.00 173.24 174.23 2kqn s ALA 13 N -0.83 -0.60 0.38 1.44 0.00 0.72 -4.81 121.76 118.05 2kqn s ALA 13 Ca 0.13 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.62 2kqn s ALA 13 Cb -0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2kqn s ALA 13 CO 0.03 -0.15 0.58 0.45 0.00 0.00 0.00 175.76 176.66 2kqn s SER 14 N -0.32 6.16 -0.30 0.00 0.15 -1.26 -2.92 113.70 115.20 2kqn s SER 14 Ca -0.04 0.39 -0.41 0.00 0.70 0.00 0.00 55.95 56.59 2kqn s SER 14 Cb -0.03 -1.87 -0.16 0.00 -1.71 0.00 0.00 66.02 62.25 2kqn s SER 14 CO 0.01 -0.41 1.75 0.52 1.20 0.00 0.00 173.24 176.31 2kqn n VAL 15 N -1.87 0.29 0.00 4.45 0.31 -1.26 0.01 118.33 120.27 2kqn n VAL 15 Ca -0.03 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2kqn n VAL 15 Cb 0.57 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 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 4.26 2.77 3.87 2.92 0.00 -0.28 -4.87 105.19 113.85 2kqn n GLY 16 Ca 0.27 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.90 6.36 0.06 1.61 1.01 0.10 -4.50 116.67 120.41 2kqn s ASP 17 Ca 0.00 1.41 -0.08 0.00 0.71 0.00 0.00 52.55 54.59 2kqn s ASP 17 Cb 0.00 -2.45 -0.05 0.00 1.01 0.00 0.00 42.92 41.42 2kqn s ASP 17 CO 0.00 -0.74 0.35 -0.13 0.21 0.00 0.00 175.17 174.86 2kqn s ARG 18 N -4.75 3.67 -0.04 8.23 0.52 -1.26 -1.43 118.95 123.90 2kqn s ARG 18 Ca 0.55 0.04 0.04 0.00 -0.52 0.00 0.00 55.73 55.84 2kqn s ARG 18 Cb -0.11 -3.01 -0.00 0.00 0.52 0.00 0.00 34.95 32.35 2kqn s ARG 18 CO 0.45 0.58 -0.16 0.08 0.02 0.00 0.00 175.30 176.28 2kqn s VAL 19 N -1.40 1.31 -0.13 3.52 1.01 -0.39 -4.94 120.40 119.38 2kqn s VAL 19 Ca 0.32 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 2kqn s VAL 19 Cb -0.13 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.15 2kqn s VAL 19 CO 0.18 0.38 -0.10 -0.89 0.00 0.00 0.00 175.10 174.67 2kqn s THR 20 N 0.01 1.25 0.08 3.92 2.01 -1.26 -0.52 115.64 121.13 2kqn s THR 20 Ca -0.02 -0.46 0.09 0.00 0.31 0.00 0.00 61.69 61.61 2kqn s THR 20 Cb -0.10 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 2kqn s THR 20 CO 0.01 0.38 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.48 2kqn s ILE 21 N 1.61 2.56 -0.05 1.82 1.01 0.13 -4.69 121.20 123.59 2kqn s ILE 21 Ca 0.05 -1.42 0.03 0.00 0.00 0.00 0.00 60.65 59.31 2kqn s ILE 21 Cb -0.13 -2.10 0.01 0.00 0.01 0.00 0.00 42.46 40.25 2kqn s ILE 21 CO -0.09 0.24 -0.12 -0.89 0.00 0.00 0.00 174.94 174.07 2kqn s THR 22 N -0.98 1.10 -0.08 2.92 2.01 0.36 -0.13 115.64 120.83 2kqn s THR 22 Ca 0.15 -0.50 0.04 0.00 0.31 0.00 0.00 61.69 61.69 2kqn s THR 22 Cb -0.10 -0.98 -0.01 0.00 0.01 0.00 0.00 72.50 71.42 2kqn s THR 22 CO 0.06 0.33 -0.21 0.00 -0.69 0.00 0.00 174.62 174.11 2kqn s GLN 24 N 0.04 2.58 0.07 0.00 -0.21 0.17 -1.17 119.66 121.14 2kqn s GLN 24 Ca -0.08 -0.74 -0.04 0.00 0.02 0.00 0.00 55.36 54.52 2kqn s GLN 24 Cb -0.15 -2.00 -0.05 0.00 1.00 0.00 0.00 33.01 31.80 2kqn s GLN 24 CO 0.05 0.15 0.29 0.00 -2.12 0.00 0.00 175.29 173.67 2kqn s ALA 25 N 0.39 3.87 0.10 6.09 0.00 -0.96 0.38 121.76 131.63 2kqn s ALA 25 Ca -0.16 -0.63 0.21 0.00 0.00 0.00 0.00 51.96 51.37 2kqn s ALA 25 Cb -0.17 -2.03 0.72 0.00 0.00 0.00 0.00 23.12 21.64 2kqn s ALA 25 CO 0.07 0.70 1.74 0.66 0.00 0.00 0.00 175.76 178.94 2kqn h SER 26 N 3.35 0.00 -4.98 0.00 4.64 -1.63 -3.45 113.55 111.48 2kqn h SER 26 Ca -0.47 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.70 2kqn h SER 26 Cb 1.18 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.06 2kqn h SER 26 CO 0.71 0.31 -0.53 -1.58 -0.87 0.00 0.00 176.83 174.87 2kqn s GLN 27 N -3.55 0.45 0.24 4.77 0.74 -1.26 -4.95 119.66 116.10 2kqn s GLN 27 Ca 0.01 -0.44 -0.30 0.00 0.05 0.00 0.00 55.36 54.68 2kqn s GLN 27 Cb 0.10 0.19 -0.09 0.00 1.10 0.00 0.00 33.01 34.30 2kqn s GLN 27 CO 0.67 -0.10 1.35 -0.51 -0.55 0.00 0.00 175.29 176.14 2kqn s ASP 28 N -1.40 6.80 -0.06 6.67 1.11 -1.26 -4.76 116.67 123.77 2kqn s ASP 28 Ca -0.15 2.54 0.10 0.00 0.18 0.00 0.00 52.55 55.22 2kqn s ASP 28 Cb -0.08 -2.62 0.23 0.00 1.07 0.00 0.00 42.92 41.52 2kqn s ASP 28 CO 0.01 -0.58 1.16 2.30 1.18 0.00 0.00 175.17 179.25 2kqn n ILE 29 N 2.20 1.45 0.00 0.77 -5.35 -1.08 -5.01 119.36 112.34 2kqn n ILE 29 Ca 0.05 -1.48 0.00 0.00 -0.27 0.00 0.00 62.75 61.05 2kqn n ILE 29 Cb 0.42 0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 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 -0.53 0.00 0.00 7.28 5.15 -1.26 -1.68 115.26 124.21 2kqn n ASN 30 Ca 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 2kqn n ASN 30 Cb 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 2kqn n ASN 30 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 2kqn n ASN 31 N 0.95 0.00 -4.53 1.20 6.94 -1.26 -0.41 115.26 118.15 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 -0.00 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 3.05 0.01 -2.53 2.02 -0.68 -2.96 117.35 116.26 2kqn s TYR 32 Ca 0.00 -1.76 0.04 0.00 -0.37 0.00 0.00 57.07 54.98 2kqn s TYR 32 Cb 0.00 -4.57 -0.01 0.00 -0.40 0.00 0.00 41.96 36.98 2kqn s TYR 32 CO 0.00 -1.65 -0.12 -1.17 -1.57 0.00 0.00 175.55 171.04 2kqn s LEU 33 N 3.21 2.09 0.01 -1.29 1.98 -1.26 -2.40 118.68 121.02 2kqn s LEU 33 Ca 0.48 -0.32 0.06 0.00 -2.89 0.00 0.00 54.13 51.46 2kqn s LEU 33 Cb 0.01 -0.58 -0.02 0.00 0.66 0.00 0.00 46.19 46.26 2kqn s LEU 33 CO 0.03 0.08 -0.19 -0.63 -1.89 0.00 0.00 176.35 173.75 2kqn s ILE 34 N -0.55 1.50 -0.11 6.68 1.01 0.12 -0.80 121.20 129.04 2kqn s ILE 34 Ca 0.03 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.75 2kqn s ILE 34 Cb -0.06 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.12 2kqn s ILE 34 CO 0.00 0.33 -0.10 0.26 0.00 0.00 0.00 174.94 175.43 2kqn s TRP 35 N -0.57 2.86 0.25 3.97 0.52 0.23 -0.16 118.94 126.04 2kqn s TRP 35 Ca 0.07 -0.38 0.08 0.00 0.02 0.00 0.00 56.10 55.88 2kqn s TRP 35 Cb -0.08 -1.82 -0.05 0.00 -1.15 0.00 0.00 33.47 30.37 2kqn s TRP 35 CO 0.00 -0.02 -0.11 0.71 0.02 0.00 0.00 176.95 177.55 2kqn s TYR 36 N 0.00 1.89 -0.16 -1.98 1.51 0.27 -0.24 117.35 118.65 2kqn s TYR 36 Ca -0.02 -0.61 0.01 0.00 -1.01 0.00 0.00 57.07 55.43 2kqn s TYR 36 Cb -0.14 -0.98 0.02 0.00 -0.11 0.00 0.00 41.96 40.76 2kqn s TYR 36 CO 0.04 0.36 -0.15 1.14 -1.11 0.00 0.00 175.55 175.82 2kqn s GLN 37 N -3.67 2.46 -0.51 -0.62 -2.07 0.23 -2.52 119.66 112.96 2kqn s GLN 37 Ca 0.27 -0.66 -0.17 0.00 -1.82 0.00 0.00 55.36 52.97 2kqn s GLN 37 Cb 0.01 -2.26 0.08 0.00 -1.09 0.00 0.00 33.01 29.75 2kqn s GLN 37 CO 0.10 -0.25 0.54 -1.14 -1.32 0.00 0.00 175.29 173.22 2kqn s GLN 38 N 1.42 3.05 -0.28 9.60 2.00 0.11 -0.72 119.66 134.85 2kqn s GLN 38 Ca 0.04 -1.19 -0.15 0.00 -2.00 0.00 0.00 55.36 52.06 2kqn s GLN 38 Cb -0.13 -4.15 -0.03 0.00 0.80 0.00 0.00 33.01 29.49 2kqn s GLN 38 CO -0.11 -1.20 0.39 0.15 -0.50 0.00 0.00 175.29 174.01 2kqn s LYS 39 N 2.19 3.97 -0.03 1.67 1.02 -1.26 -1.32 119.74 125.97 2kqn s LYS 39 Ca 0.09 0.02 -0.34 0.00 0.02 0.00 0.00 55.97 55.76 2kqn s LYS 39 Cb -0.23 -3.67 -0.13 0.00 -0.52 0.00 0.00 37.83 33.29 2kqn s LYS 39 CO 0.08 -0.31 1.79 -2.30 -0.92 0.00 0.00 175.35 173.69 2kqn n PRO 40 N 5.36 2.11 0.00 -1.68 -0.02 -1.26 -2.02 135.00 137.49 2kqn n PRO 40 Ca -0.08 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2kqn n PRO 40 Cb 0.50 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 4.10 0.77 3.37 -1.23 0.00 -1.26 -5.07 105.19 105.87 2kqn n GLY 41 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.05 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 1.46 0.86 1.61 -2.07 -0.86 -5.14 119.66 115.52 2kqn s GLN 42 Ca 0.00 -1.77 -0.11 0.00 -1.82 0.00 0.00 55.36 51.66 2kqn s GLN 42 Cb 0.00 -0.68 0.11 0.00 -1.09 0.00 0.00 33.01 31.35 2kqn s GLN 42 CO 0.00 -0.14 1.09 0.00 -1.32 0.00 0.00 175.29 174.92 2kqn s ALA 43 N -3.40 1.73 0.48 2.60 0.00 -1.26 -4.51 121.76 117.39 2kqn s ALA 43 Ca 0.32 0.09 -0.23 0.00 0.00 0.00 0.00 51.96 52.15 2kqn s ALA 43 Cb 0.07 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 2kqn s ALA 43 CO 0.12 -2.22 1.25 -1.25 0.00 0.00 0.00 175.76 173.65 2kqn s PRO 44 N -4.89 3.61 -0.18 0.00 0.04 -1.26 -4.55 135.00 127.77 2kqn s PRO 44 Ca 0.63 1.99 -0.08 0.00 0.04 0.00 0.00 61.00 63.58 2kqn s PRO 44 Cb -0.18 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 2kqn s PRO 44 CO 0.57 -0.74 0.08 0.21 0.04 0.00 0.00 177.00 177.16 2kqn s LYS 45 N -2.67 4.00 0.08 4.56 2.47 0.10 -4.88 119.74 123.41 2kqn s LYS 45 Ca 0.65 -0.31 -0.31 0.00 -1.56 0.00 0.00 55.97 54.44 2kqn s LYS 45 Cb -0.34 -3.26 -0.08 0.00 -1.46 0.00 0.00 37.83 32.69 2kqn s LYS 45 CO 0.41 0.30 1.56 -1.17 0.16 0.00 0.00 175.35 176.61 2kqn s LEU 46 N 0.31 4.36 -0.10 5.43 0.20 -1.26 -0.60 118.68 127.02 2kqn s LEU 46 Ca 0.05 2.43 -0.05 0.00 0.69 0.00 0.00 54.13 57.24 2kqn s LEU 46 Cb -0.12 -3.57 -0.05 0.00 -0.43 0.00 0.00 46.19 42.02 2kqn s LEU 46 CO -0.00 -0.82 -0.14 -0.11 -0.29 0.00 0.00 176.35 174.99 2kqn n LEU 47 N 5.02 0.77 -4.02 -0.68 7.94 0.67 -4.90 117.00 121.81 2kqn n LEU 47 Ca 0.14 0.13 -0.19 0.00 -1.11 0.00 0.00 56.01 54.99 2kqn n LEU 47 Cb 0.41 -0.32 -0.15 0.00 0.53 0.00 0.00 43.42 43.89 2kqn n LEU 47 CO 0.61 0.20 -0.43 -0.63 -1.11 0.00 0.00 177.39 176.03 2kqn s ILE 48 N -2.20 0.70 0.29 1.96 1.01 -0.96 -1.98 121.20 120.03 2kqn s ILE 48 Ca -0.15 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.15 2kqn s ILE 48 Cb 0.06 -0.59 -0.05 0.00 0.01 0.00 0.00 42.46 41.89 2kqn s ILE 48 CO 0.19 0.20 0.11 -0.72 0.00 0.00 0.00 174.94 174.71 2kqn s TYR 49 N -0.19 1.64 -1.89 3.97 -0.85 0.14 0.78 117.35 120.94 2kqn s TYR 49 Ca 0.03 -1.19 0.00 0.00 -0.52 0.00 0.00 57.07 55.39 2kqn s TYR 49 Cb -0.04 -0.97 0.00 0.00 0.38 0.00 0.00 41.96 41.33 2kqn s TYR 49 CO -0.00 -0.32 0.00 -3.47 -1.52 0.00 0.00 175.55 170.24 2kqn n ASP 50 N -0.66 -5.19 0.00 -0.18 2.03 -0.53 0.18 116.55 112.20 2kqn n ASP 50 Ca -0.01 0.41 0.00 0.00 0.52 0.00 0.00 54.79 55.71 2kqn n ASP 50 Cb 0.66 -4.29 0.00 0.00 -0.72 0.00 0.00 41.12 36.77 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 1.07 0.00 -1.06 -1.67 0.00 0.02 -4.36 120.51 114.50 2kqn n ALA 51 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 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 0.44 0.00 -4.54 0.00 7.64 -1.14 -3.21 113.62 112.82 2kqn n SER 52 Ca 0.00 -1.00 -0.34 0.00 1.01 0.00 0.00 58.87 58.54 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 0.00 4.25 0.12 0.44 2.01 0.13 -4.79 115.64 117.80 2kqn s THR 53 Ca 0.00 -0.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.49 2kqn s THR 53 Cb 0.00 -2.90 -0.06 0.00 0.01 0.00 0.00 72.50 69.55 2kqn s THR 53 CO 0.00 0.46 0.92 -0.76 -0.69 0.00 0.00 174.62 174.55 2kqn s LEU 54 N 0.53 4.52 0.57 4.42 1.02 -1.26 0.23 118.68 128.70 2kqn s LEU 54 Ca -0.00 1.75 -0.18 0.00 0.02 0.00 0.00 54.13 55.71 2kqn s LEU 54 Cb -0.14 -3.51 -0.05 0.00 0.02 0.00 0.00 46.19 42.51 2kqn s LEU 54 CO 0.02 -0.01 1.11 -0.70 0.02 0.00 0.00 176.35 176.79 2kqn s GLU 55 N -0.24 3.28 0.01 1.70 2.56 -0.84 -4.90 118.70 120.28 2kqn s GLU 55 Ca 0.44 1.50 -0.35 0.00 0.00 0.00 0.00 54.97 56.56 2kqn s GLU 55 Cb -0.23 -2.00 -0.14 0.00 2.00 0.00 0.00 34.13 33.76 2kqn s GLU 55 CO 0.29 -0.89 1.67 0.25 -0.56 0.00 0.00 175.26 176.02 2kqn n THR 56 N -1.57 0.25 0.00 -1.70 -2.24 -1.26 -1.33 114.28 106.42 2kqn n THR 56 Ca 0.11 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2kqn n THR 56 Cb 0.51 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 2kqn n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kqn n GLY 57 N 3.74 0.35 3.62 3.38 0.00 -1.26 -5.03 105.19 109.99 2kqn n GLY 57 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.10 4.65 0.83 1.61 1.01 -0.44 -5.03 120.40 120.92 2kqn s VAL 58 Ca 0.00 1.35 -0.12 0.00 0.00 0.00 0.00 61.98 63.21 2kqn s VAL 58 Cb 0.00 -4.28 0.09 0.00 0.00 0.00 0.00 36.38 32.19 2kqn s VAL 58 CO 0.00 -0.40 1.16 -2.84 0.00 0.00 0.00 175.10 173.02 2kqn s PRO 59 N 3.30 1.60 0.00 2.72 0.02 -1.26 -4.86 135.00 136.53 2kqn s PRO 59 Ca 0.38 1.58 0.05 0.00 0.02 0.00 0.00 61.00 63.02 2kqn s PRO 59 Cb -0.13 -1.79 0.22 0.00 0.02 0.00 0.00 34.50 32.82 2kqn s PRO 59 CO 0.15 -2.20 1.02 0.43 -0.33 0.00 0.00 177.00 176.07 2kqn n SER 60 N -3.57 0.00 0.21 2.53 7.64 -1.26 -2.12 113.62 117.05 2kqn n SER 60 Ca 0.12 0.30 0.07 0.00 1.01 0.00 0.00 58.87 60.37 2kqn n SER 60 Cb 0.51 -0.34 0.44 0.00 -1.01 0.00 0.00 64.21 63.81 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 -5.40 1.43 3.08 -1.92 -3.42 114.38 108.14 2kqn h ARG 61 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 2kqn h ARG 61 Cb 0.05 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.00 2kqn h ARG 61 CO 0.00 0.30 -0.46 -0.06 -1.07 0.00 0.00 179.97 178.68 2kqn s PHE 62 N -3.86 3.47 -0.01 3.04 0.08 -0.90 0.28 117.98 120.08 2kqn s PHE 62 Ca -0.01 0.43 -0.02 0.00 0.12 0.00 0.00 56.93 57.45 2kqn s PHE 62 Cb 0.12 -2.14 -0.00 0.00 -0.57 0.00 0.00 43.02 40.43 2kqn s PHE 62 CO 0.67 0.39 0.03 -1.12 -0.10 0.00 0.00 175.22 175.09 2kqn s SER 63 N 0.04 0.01 -0.02 1.36 0.01 0.26 -4.96 113.70 110.41 2kqn s SER 63 Ca 0.11 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.34 2kqn s SER 63 Cb -0.12 0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.23 2kqn s SER 63 CO 0.00 -0.08 0.02 -0.83 0.41 0.00 0.00 173.24 172.76 2kqn s GLY 64 N -0.31 0.11 -0.02 3.44 0.00 -1.26 0.15 107.32 109.42 2kqn s GLY 64 Ca -0.04 0.20 -0.08 0.00 0.00 0.00 0.00 44.72 44.81 2kqn s GLY 64 CO -0.00 0.51 0.18 -1.35 0.00 0.00 0.00 173.10 172.43 2kqn s SER 65 N 0.81 -0.07 0.00 1.64 1.04 0.29 -3.89 113.70 113.51 2kqn s SER 65 Ca -0.07 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2kqn s SER 65 Cb -0.10 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.30 2kqn s SER 65 CO -0.02 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2kqn n GLY 66 N 1.94 -0.24 3.52 7.32 0.00 -1.26 0.11 105.19 116.58 2kqn n GLY 66 Ca -0.19 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.20 -0.47 0.00 1.61 1.04 -0.07 -4.69 113.70 110.93 2kqn s SER 67 Ca 0.00 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.72 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 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.24 2kqn n GLY 68 N 0.30 1.26 0.00 7.32 0.00 0.46 -1.96 105.19 112.56 2kqn n GLY 68 Ca -0.13 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.06 2.61 -2.24 -1.26 -2.64 114.28 106.69 2kqn n THR 69 Ca 0.00 -0.42 -0.32 0.00 -2.27 0.00 0.00 64.05 61.05 2kqn n THR 69 Cb 0.00 1.05 -0.15 0.00 -2.10 0.00 0.00 70.33 69.13 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 -0.58 2.36 -0.08 -0.78 2.02 -0.83 -2.28 118.70 118.55 2kqn s GLU 70 Ca 0.00 -1.11 0.02 0.00 0.02 0.00 0.00 54.97 53.90 2kqn s GLU 70 Cb 0.00 -2.71 0.01 0.00 0.10 0.00 0.00 34.13 31.53 2kqn s GLU 70 CO 0.00 -0.46 -0.13 -0.06 0.02 0.00 0.00 175.26 174.63 2kqn s PHE 71 N 1.21 1.61 -0.13 1.61 0.08 -0.32 -0.89 117.98 121.16 2kqn s PHE 71 Ca -0.04 -0.64 0.02 0.00 0.12 0.00 0.00 56.93 56.40 2kqn s PHE 71 Cb -0.18 -1.17 0.00 0.00 -0.57 0.00 0.00 43.02 41.10 2kqn s PHE 71 CO -0.08 -0.32 -0.21 0.99 -0.10 0.00 0.00 175.22 175.50 2kqn s THR 72 N 0.72 2.23 -0.16 0.64 2.01 0.12 -0.30 115.64 120.90 2kqn s THR 72 Ca -0.13 -0.93 -0.01 0.00 0.31 0.00 0.00 61.69 60.92 2kqn s THR 72 Cb -0.16 -1.89 -0.01 0.00 0.01 0.00 0.00 72.50 70.45 2kqn s THR 72 CO 0.03 0.54 -0.11 0.12 -0.69 0.00 0.00 174.62 174.52 2kqn s PHE 73 N 0.68 2.86 -0.07 4.92 5.36 0.81 -0.55 117.98 132.00 2kqn s PHE 73 Ca -0.10 -0.80 0.02 0.00 -0.96 0.00 0.00 56.93 55.09 2kqn s PHE 73 Cb -0.16 -1.93 0.02 0.00 -0.34 0.00 0.00 43.02 40.61 2kqn s PHE 73 CO 0.01 -0.35 -0.10 0.99 -1.46 0.00 0.00 175.22 174.31 2kqn s THR 74 N 0.75 0.99 -0.27 0.12 2.01 0.12 0.17 115.64 119.52 2kqn s THR 74 Ca -0.05 -0.37 -0.10 0.00 0.31 0.00 0.00 61.69 61.48 2kqn s THR 74 Cb -0.15 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 2kqn s THR 74 CO 0.01 0.33 0.14 -0.63 -0.69 0.00 0.00 174.62 173.79 2kqn s ILE 75 N 0.86 4.94 0.12 1.82 1.01 0.32 -0.57 121.20 129.70 2kqn s ILE 75 Ca -0.11 0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.52 2kqn s ILE 75 Cb -0.15 -3.34 -0.17 0.00 0.01 0.00 0.00 42.46 38.81 2kqn s ILE 75 CO 0.01 0.29 1.31 -1.28 0.00 0.00 0.00 174.94 175.27 2kqn h SER 76 N 8.27 0.63 -2.83 3.58 0.87 -0.47 -1.02 113.55 122.58 2kqn h SER 76 Ca -0.36 -0.48 -0.47 0.00 -1.23 0.00 0.00 61.79 59.25 2kqn h SER 76 Cb 1.18 -0.19 -0.40 0.00 -0.44 0.00 0.00 62.40 62.56 2kqn h SER 76 CO 0.57 1.27 -0.74 -0.44 -0.53 0.00 0.00 176.83 176.95 2kqn s SER 77 N -7.10 2.71 0.31 6.23 0.01 -1.26 -4.19 113.70 110.40 2kqn s SER 77 Ca -0.07 -0.87 -0.30 0.00 1.31 0.00 0.00 55.95 56.02 2kqn s SER 77 Cb 0.09 -0.18 -0.12 0.00 0.21 0.00 0.00 66.02 66.02 2kqn s SER 77 CO 0.88 -0.39 1.51 -0.11 0.41 0.00 0.00 173.24 175.54 2kqn n LEU 78 N 5.27 4.16 -4.43 2.44 -0.00 -0.51 -4.69 117.00 119.24 2kqn n LEU 78 Ca -0.06 1.17 -0.29 0.00 -0.00 0.00 0.00 56.01 56.83 2kqn n LEU 78 Cb 0.46 -1.56 -0.12 0.00 -0.00 0.00 0.00 43.42 42.20 2kqn n LEU 78 CO 0.07 -0.02 -0.53 -1.10 -0.00 0.00 0.00 177.39 175.81 2kqn s GLN 79 N -0.94 1.57 0.21 1.96 -1.52 -1.26 -1.12 119.66 118.55 2kqn s GLN 79 Ca 0.62 -1.31 -0.09 0.00 -1.95 0.00 0.00 55.36 52.62 2kqn s GLN 79 Cb -0.52 -1.97 0.22 0.00 -0.22 0.00 0.00 33.01 30.51 2kqn s GLN 79 CO 0.53 0.45 1.83 -1.00 -0.25 0.00 0.00 175.29 176.85 2kqn h PRO 80 N 3.71 0.76 0.00 2.91 0.13 -1.98 -1.87 132.00 135.65 2kqn h PRO 80 Ca -0.50 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2kqn h PRO 80 Cb 1.18 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2kqn h PRO 80 CO 0.43 0.50 0.00 0.39 -0.23 0.00 0.00 178.00 179.09 2kqn n GLU 81 N -4.72 0.07 -0.56 0.86 1.02 -1.26 -3.25 120.64 112.80 2kqn n GLU 81 Ca 0.08 0.06 0.06 0.00 -0.02 0.00 0.00 57.16 57.34 2kqn n GLU 81 Cb 0.13 -1.58 0.28 0.00 -0.02 0.00 0.00 31.44 30.26 2kqn n GLU 81 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2kqn n ASP 82 N -1.69 4.06 -4.67 1.62 8.00 -0.70 -4.80 116.55 118.37 2kqn n ASP 82 Ca 0.07 -2.51 -0.43 0.00 0.71 0.00 0.00 54.79 52.62 2kqn n ASP 82 Cb 0.36 -0.57 -0.02 0.00 -0.02 0.00 0.00 41.12 40.86 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 -1.76 4.18 0.15 0.64 0.20 -1.20 -4.86 118.68 116.03 2kqn s LEU 83 Ca 0.39 1.53 -0.24 0.00 0.69 0.00 0.00 54.13 56.50 2kqn s LEU 83 Cb 0.27 -3.55 0.08 0.00 -0.43 0.00 0.00 46.19 42.57 2kqn s LEU 83 CO 0.15 -0.61 1.05 0.00 -0.29 0.00 0.00 176.35 176.65 2kqn s ALA 84 N 2.78 -1.70 -0.25 5.97 0.00 -1.26 -4.87 121.76 122.43 2kqn s ALA 84 Ca 0.49 -0.16 -0.21 0.00 0.00 0.00 0.00 51.96 52.08 2kqn s ALA 84 Cb -0.18 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 2kqn s ALA 84 CO 0.13 -1.07 0.66 0.99 0.00 0.00 0.00 175.76 176.48 2kqn s THR 85 N -2.40 4.96 -0.11 0.00 2.01 -0.44 -2.41 115.64 117.25 2kqn s THR 85 Ca 0.20 1.21 -0.06 0.00 0.31 0.00 0.00 61.69 63.35 2kqn s THR 85 Cb -0.02 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2kqn s THR 85 CO 0.04 0.01 0.11 -0.31 -0.69 0.00 0.00 174.62 173.78 2kqn s TYR 86 N 2.54 3.49 0.26 4.92 1.51 -1.09 0.09 117.35 129.06 2kqn s TYR 86 Ca 0.28 0.44 -0.15 0.00 -1.01 0.00 0.00 57.07 56.63 2kqn s TYR 86 Cb -0.15 -1.90 0.00 0.00 -0.11 0.00 0.00 41.96 39.80 2kqn s TYR 86 CO 0.08 0.67 0.54 1.52 -1.11 0.00 0.00 175.55 177.25 2kqn s TYR 87 N -1.01 0.23 0.02 2.71 -0.85 -1.05 -3.98 117.35 113.42 2kqn s TYR 87 Ca 0.15 -0.62 0.05 0.00 -0.52 0.00 0.00 57.07 56.13 2kqn s TYR 87 Cb -0.12 0.32 -0.02 0.00 0.38 0.00 0.00 41.96 42.52 2kqn s TYR 87 CO 0.04 -1.06 -0.16 0.00 -1.52 0.00 0.00 175.55 172.86 2kqn s GLN 89 N -0.78 0.51 0.08 0.00 -2.07 0.77 -0.37 119.66 117.81 2kqn s GLN 89 Ca 0.05 -0.21 -0.02 0.00 -1.82 0.00 0.00 55.36 53.36 2kqn s GLN 89 Cb -0.07 -0.50 -0.04 0.00 -1.09 0.00 0.00 33.01 31.30 2kqn s GLN 89 CO 0.00 0.12 0.26 1.14 -1.32 0.00 0.00 175.29 175.49 2kqn s GLN 90 N -0.09 3.49 -0.08 9.60 1.03 -1.23 0.12 119.66 132.50 2kqn s GLN 90 Ca 0.02 -0.32 0.12 0.00 0.04 0.00 0.00 55.36 55.21 2kqn s GLN 90 Cb -0.03 -2.99 0.21 0.00 0.03 0.00 0.00 33.01 30.23 2kqn s GLN 90 CO -0.00 0.58 1.11 2.48 -2.54 0.00 0.00 175.29 176.91 2kqn n TYR 91 N 0.30 0.00 0.08 9.60 4.11 -1.01 -4.50 117.16 125.75 2kqn n TYR 91 Ca -0.05 -0.67 -0.22 0.00 -0.00 0.00 0.00 57.90 56.97 2kqn n TYR 91 Cb 0.51 -0.12 -0.14 0.00 -0.00 0.00 0.00 39.34 39.59 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 0.16 0.73 -4.90 9.48 3.58 -1.88 -3.47 116.42 120.12 2kqn h ASP 92 Ca -0.02 -0.86 -0.11 0.00 0.42 0.00 0.00 57.03 56.46 2kqn h ASP 92 Cb 1.20 -0.23 -0.20 0.00 1.72 0.00 0.00 39.33 41.81 2kqn h ASP 92 CO 0.01 1.53 -0.22 0.21 -2.88 0.00 0.00 179.24 177.89 2kqn s ASN 93 N -7.26 -0.27 0.32 2.28 2.47 -1.26 -5.13 114.94 106.09 2kqn s ASN 93 Ca -0.11 0.22 -0.23 0.00 0.42 0.00 0.00 52.86 53.16 2kqn s ASN 93 Cb 0.04 0.38 -0.10 0.00 -1.45 0.00 0.00 41.25 40.12 2kqn s ASN 93 CO 0.90 -0.44 0.87 -0.76 -3.72 0.00 0.00 177.10 173.95 2kqn s LEU 94 N -1.18 4.25 0.56 3.21 1.43 -1.26 -4.08 118.68 121.61 2kqn s LEU 94 Ca -0.12 1.66 -0.15 0.00 -1.03 0.00 0.00 54.13 54.49 2kqn s LEU 94 Cb -0.04 -4.00 -0.06 0.00 0.03 0.00 0.00 46.19 42.12 2kqn s LEU 94 CO 0.05 -0.10 1.02 -2.16 0.23 0.00 0.00 176.35 175.38 2kqn s PRO 95 N -2.30 3.64 -0.23 1.29 0.04 -1.26 -4.75 135.00 131.44 2kqn s PRO 95 Ca 0.51 1.01 -0.19 0.00 0.04 0.00 0.00 61.00 62.36 2kqn s PRO 95 Cb -0.16 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 2kqn s PRO 95 CO 0.21 -0.53 0.57 0.71 0.04 0.00 0.00 177.00 177.99 2kqn s TYR 96 N -2.67 3.31 0.06 0.56 2.02 -1.26 -4.29 117.35 115.09 2kqn s TYR 96 Ca 0.60 0.77 0.06 0.00 -0.37 0.00 0.00 57.07 58.13 2kqn s TYR 96 Cb -0.12 -2.75 -0.04 0.00 -0.40 0.00 0.00 41.96 38.65 2kqn s TYR 96 CO 0.37 -0.23 -0.13 0.95 -1.57 0.00 0.00 175.55 174.94 2kqn s THR 97 N 2.13 3.18 -0.11 -0.71 -4.23 -1.26 -4.97 115.64 109.66 2kqn s THR 97 Ca 0.24 -1.16 -0.05 0.00 -1.18 0.00 0.00 61.69 59.54 2kqn s THR 97 Cb -0.16 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.23 2kqn s THR 97 CO 0.09 0.25 0.08 -0.36 -0.54 0.00 0.00 174.62 174.14 2kqn s PHE 98 N -1.06 3.40 0.02 3.99 0.08 -1.26 -3.56 117.98 119.60 2kqn s PHE 98 Ca 0.18 0.36 -0.31 0.00 0.12 0.00 0.00 56.93 57.28 2kqn s PHE 98 Cb -0.11 -1.90 -0.10 0.00 -0.57 0.00 0.00 43.02 40.35 2kqn s PHE 98 CO 0.09 0.59 1.94 0.41 -0.10 0.00 0.00 175.22 178.15 2kqn n GLY 99 N 2.18 1.76 1.31 4.36 0.00 0.51 -4.77 105.19 110.53 2kqn n GLY 99 Ca -0.19 0.82 0.06 0.00 0.00 0.00 0.00 46.02 46.71 2kqn n GLY 99 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kqn n GLN 100 N 7.14 3.25 -0.01 1.61 3.00 -1.25 -4.49 117.38 126.63 2kqn n GLN 100 Ca 0.20 -2.07 0.09 0.00 -0.01 0.00 0.00 57.00 55.22 2kqn n GLN 100 Cb 0.38 -1.85 -0.13 0.00 0.00 0.00 0.00 30.24 28.64 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 0.69 -0.82 3.21 1.08 0.00 -1.26 -4.98 105.19 103.12 2kqn n GLY 101 Ca 0.18 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.14 2.06 -0.10 2.61 2.01 -1.25 -3.27 115.64 114.56 2kqn s THR 102 Ca -0.03 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 60.99 2kqn s THR 102 Cb 0.12 -1.79 -0.00 0.00 0.01 0.00 0.00 72.50 70.84 2kqn s THR 102 CO 0.77 0.56 -0.22 -0.75 -0.69 0.00 0.00 174.62 174.29 2kqn s LYS 103 N 0.43 3.10 -0.08 4.92 2.47 -0.88 -2.67 119.74 127.02 2kqn s LYS 103 Ca -0.17 -0.84 -0.02 0.00 -1.56 0.00 0.00 55.97 53.39 2kqn s LYS 103 Cb -0.18 -2.37 -0.03 0.00 -1.46 0.00 0.00 37.83 33.80 2kqn s LYS 103 CO 0.07 0.20 -0.00 -1.17 0.16 0.00 0.00 175.35 174.60 2kqn s LEU 104 N 0.32 3.54 0.07 5.43 2.96 -1.01 -1.41 118.68 128.58 2kqn s LEU 104 Ca -0.17 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 2kqn s LEU 104 Cb -0.17 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 2kqn s LEU 104 CO 0.08 0.37 -0.05 -1.61 -1.32 0.00 0.00 176.35 173.82 2kqn s GLU 105 N -0.86 0.66 -0.23 1.98 2.02 -0.86 -4.14 118.70 117.27 2kqn s GLU 105 Ca 0.13 -1.15 -0.08 0.00 0.02 0.00 0.00 54.97 53.89 2kqn s GLU 105 Cb -0.11 -0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.04 2kqn s GLU 105 CO 0.02 -0.04 0.10 0.42 0.02 0.00 0.00 175.26 175.78 2kqn s ILE 106 N -3.22 4.73 0.56 -1.63 1.01 -1.24 -0.20 121.20 121.21 2kqn s ILE 106 Ca 0.05 -0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.47 2kqn s ILE 106 Cb 0.03 -3.20 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 2kqn s ILE 106 CO -0.06 0.36 1.10 -0.54 0.00 0.00 0.00 174.94 175.80 2kqn s LYS 107 N 1.22 3.33 0.00 2.79 1.02 -1.15 -4.87 119.74 122.09 2kqn s LYS 107 Ca 0.05 1.47 0.25 0.00 0.02 0.00 0.00 55.97 57.77 2kqn s LYS 107 Cb -0.14 -2.02 0.43 0.00 -0.52 0.00 0.00 37.83 35.58 2kqn s LYS 107 CO 0.04 -0.84 1.40 0.54 -0.92 0.00 0.00 175.35 175.57