#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cql s SER -5 N 0.00 -0.17 0.07 1.61 0.01 -1.26 -5.18 113.70 108.78 2cql s SER -5 Ca 0.00 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.63 2cql s SER -5 Cb 0.00 0.55 -0.04 0.00 0.21 0.00 0.00 66.02 66.74 2cql s SER -5 CO 0.00 -1.03 -0.05 -0.55 0.41 0.00 0.00 173.24 172.02 2cql s SER -4 N -2.91 0.75 0.00 2.44 0.15 -1.26 -5.15 113.70 107.72 2cql s SER -4 Ca 0.13 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 55.80 2cql s SER -4 Cb -0.00 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2cql s SER -4 CO -0.01 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.52 2cql n GLY -3 N 0.13 4.31 3.67 9.45 0.00 -1.26 -5.15 105.19 116.34 2cql n GLY -3 Ca -0.14 -1.14 -0.26 0.00 0.00 0.00 0.00 46.02 44.48 2cql n GLY -3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cql s SER -2 N 0.00 4.81 -0.48 1.61 0.15 -1.26 -5.02 113.70 113.51 2cql s SER -2 Ca 0.00 -0.41 -0.01 0.00 0.70 0.00 0.00 55.95 56.23 2cql s SER -2 Cb 0.00 -1.03 0.35 0.00 -1.71 0.00 0.00 66.02 63.63 2cql s SER -2 CO 0.00 0.07 1.99 -1.54 1.20 0.00 0.00 173.24 174.96 2cql n SER -1 N -0.28 6.67 -0.14 5.45 3.41 -1.26 -5.02 113.62 122.46 2cql n SER -1 Ca -0.09 -3.40 0.01 0.00 -0.26 0.00 0.00 58.87 55.13 2cql n SER -1 Cb 0.56 -0.99 -0.00 0.00 -0.26 0.00 0.00 64.21 63.52 2cql n SER -1 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cql n GLY 0 N -0.35 -2.11 3.40 5.00 0.00 -1.26 -4.58 105.19 105.29 2cql n GLY 0 Ca 0.46 -1.44 -0.45 0.00 0.00 0.00 0.00 46.02 44.59 2cql n GLY 0 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2cql s MET 1 N -0.61 3.72 0.09 1.61 1.00 -1.26 -5.00 119.30 118.86 2cql s MET 1 Ca 0.00 -2.24 0.07 0.00 0.00 0.00 0.00 55.69 53.52 2cql s MET 1 Cb 0.00 -4.74 -0.03 0.00 0.00 0.00 0.00 34.83 30.06 2cql s MET 1 CO 0.00 -1.56 -0.19 0.15 0.00 0.00 0.00 175.02 173.42 2cql s LYS 2 N 1.32 1.08 -0.44 2.03 -0.14 -1.26 -5.08 119.74 117.25 2cql s LYS 2 Ca 0.29 -1.09 0.10 0.00 -1.36 0.00 0.00 55.97 53.91 2cql s LYS 2 Cb -0.07 -1.27 0.35 0.00 -1.68 0.00 0.00 37.83 35.17 2cql s LYS 2 CO -0.08 0.30 0.82 0.25 -0.76 0.00 0.00 175.35 175.88 2cql n THR 3 N 1.22 1.00 0.83 2.17 -2.24 -1.26 -4.71 114.28 111.29 2cql n THR 3 Ca -0.20 -4.86 0.14 0.00 -2.27 0.00 0.00 64.05 56.86 2cql n THR 3 Cb 0.54 -0.61 0.52 0.00 -2.10 0.00 0.00 70.33 68.68 2cql n THR 3 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2cql n ILE 4 N 0.08 0.27 -0.67 2.28 -5.35 -1.26 -4.89 119.36 109.81 2cql n ILE 4 Ca 0.27 -0.12 -0.22 0.00 -0.27 0.00 0.00 62.75 62.40 2cql n ILE 4 Cb 0.58 -0.54 0.11 0.00 -1.74 0.00 0.00 39.64 38.05 2cql n ILE 4 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2cql n LEU 5 N -1.84 -1.96 -4.30 7.28 -0.00 -1.26 -5.02 117.00 109.90 2cql n LEU 5 Ca 0.06 -0.21 -0.18 0.00 -0.00 0.00 0.00 56.01 55.69 2cql n LEU 5 Cb 0.38 -0.72 -0.10 0.00 -0.00 0.00 0.00 43.42 42.97 2cql n LEU 5 CO 0.28 -2.90 -0.44 -0.55 -0.00 0.00 0.00 177.39 173.79 2cql s SER 6 N -1.63 2.28 0.05 1.45 0.15 -1.26 -5.15 113.70 109.58 2cql s SER 6 Ca 0.35 -0.95 0.02 0.00 0.70 0.00 0.00 55.95 56.07 2cql s SER 6 Cb -0.03 -0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.14 2cql s SER 6 CO 0.42 -0.18 0.07 0.54 1.20 0.00 0.00 173.24 175.29 2cql s ASN 7 N -3.01 5.54 -0.02 5.45 2.20 -1.26 -4.95 114.94 118.90 2cql s ASN 7 Ca 0.17 0.04 -0.04 0.00 -0.94 0.00 0.00 52.86 52.09 2cql s ASN 7 Cb -0.02 -1.52 -0.04 0.00 -2.00 0.00 0.00 41.25 37.67 2cql s ASN 7 CO 0.05 0.21 0.19 -1.10 -2.94 0.00 0.00 177.10 173.51 2cql s GLN 8 N -2.13 3.46 0.01 3.55 -0.21 -0.83 -4.98 119.66 118.53 2cql s GLN 8 Ca 0.27 -0.26 0.08 0.00 0.02 0.00 0.00 55.36 55.47 2cql s GLN 8 Cb -0.12 -3.11 -0.02 0.00 1.00 0.00 0.00 33.01 30.76 2cql s GLN 8 CO 0.19 0.69 -0.25 0.95 -2.12 0.00 0.00 175.29 174.74 2cql s THR 9 N -1.28 2.17 0.06 -0.19 -4.23 -1.26 -0.07 115.64 110.85 2cql s THR 9 Ca 0.26 -1.23 0.06 0.00 -1.18 0.00 0.00 61.69 59.60 2cql s THR 9 Cb -0.13 -1.81 -0.04 0.00 1.34 0.00 0.00 72.50 71.87 2cql s THR 9 CO 0.16 0.47 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.90 2cql s VAL 10 N -0.72 3.23 -0.10 2.29 1.01 0.23 -4.95 120.40 121.38 2cql s VAL 10 Ca 0.11 -1.15 -0.00 0.00 0.00 0.00 0.00 61.98 60.93 2cql s VAL 10 Cb -0.10 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 2cql s VAL 10 CO 0.01 0.24 -0.07 -0.62 0.00 0.00 0.00 175.10 174.65 2cql s ASP 11 N -1.81 4.59 -0.06 3.32 2.15 -1.26 -1.85 116.67 121.75 2cql s ASP 11 Ca 0.18 -0.09 0.05 0.00 0.43 0.00 0.00 52.55 53.13 2cql s ASP 11 Cb -0.11 -1.37 -0.01 0.00 -0.30 0.00 0.00 42.92 41.14 2cql s ASP 11 CO 0.10 0.29 -0.23 -0.63 -0.17 0.00 0.00 175.17 174.53 2cql s ILE 12 N -0.38 1.89 0.08 4.11 1.01 -0.82 -4.99 121.20 122.10 2cql s ILE 12 Ca 0.05 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.73 2cql s ILE 12 Cb -0.12 -1.61 0.02 0.00 0.01 0.00 0.00 42.46 40.75 2cql s ILE 12 CO 0.02 0.53 0.07 -0.81 0.00 0.00 0.00 174.94 174.75 2cql n PRO 13 N 3.13 -1.14 -0.01 2.79 -0.04 -1.26 -4.30 135.00 134.17 2cql n PRO 13 Ca -0.18 -0.11 0.09 0.00 -0.04 0.00 0.00 63.50 63.26 2cql n PRO 13 Cb 0.52 -0.10 -0.14 0.00 -0.04 0.00 0.00 33.50 33.74 2cql n PRO 13 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2cql n GLU 14 N -1.71 0.56 -0.11 0.54 -0.00 -1.26 -4.26 120.64 114.40 2cql n GLU 14 Ca 0.01 -0.16 0.07 0.00 -0.00 0.00 0.00 57.16 57.08 2cql n GLU 14 Cb 0.04 -1.42 0.24 0.00 -0.00 0.00 0.00 31.44 30.29 2cql n GLU 14 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 2cql n ASN 15 N -2.11 1.44 -4.11 -1.84 6.94 -1.26 -4.83 115.26 109.49 2cql n ASN 15 Ca -0.03 -1.86 -0.20 0.00 -0.02 0.00 0.00 54.58 52.46 2cql n ASN 15 Cb 0.46 -0.15 -0.14 0.00 -2.36 0.00 0.00 39.78 37.60 2cql n ASN 15 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2cql s VAL 16 N -1.70 1.05 -0.12 3.53 1.01 -1.26 -4.51 120.40 118.39 2cql s VAL 16 Ca 0.24 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.46 2cql s VAL 16 Cb 0.12 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.59 2cql s VAL 16 CO 0.18 0.12 -0.23 -1.81 0.00 0.00 0.00 175.10 173.36 2cql s ASP 17 N -0.76 3.13 -0.07 3.32 1.11 -0.57 -4.78 116.67 118.04 2cql s ASP 17 Ca 0.03 -0.57 0.04 0.00 0.18 0.00 0.00 52.55 52.22 2cql s ASP 17 Cb -0.07 -1.43 0.00 0.00 1.07 0.00 0.00 42.92 42.49 2cql s ASP 17 CO 0.00 0.12 -0.19 -0.63 1.18 0.00 0.00 175.17 175.66 2cql s ILE 18 N 0.56 1.65 -0.21 0.77 1.09 -1.26 0.30 121.20 124.10 2cql s ILE 18 Ca -0.13 -0.80 -0.05 0.00 -1.10 0.00 0.00 60.65 58.57 2cql s ILE 18 Cb -0.17 -1.43 -0.02 0.00 -1.06 0.00 0.00 42.46 39.78 2cql s ILE 18 CO 0.04 0.47 -0.00 -0.89 -0.10 0.00 0.00 174.94 174.45 2cql s THR 19 N 0.28 3.87 -0.27 2.92 2.01 0.47 -4.96 115.64 119.96 2cql s THR 19 Ca -0.12 -0.34 -0.09 0.00 0.31 0.00 0.00 61.69 61.45 2cql s THR 19 Cb -0.15 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 2cql s THR 19 CO 0.05 0.42 0.14 -0.76 -0.69 0.00 0.00 174.62 173.78 2cql s LEU 20 N 1.15 3.77 -0.29 4.42 1.43 -1.26 -1.23 118.68 126.67 2cql s LEU 20 Ca 0.03 -0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 53.03 2cql s LEU 20 Cb -0.14 -2.03 0.09 0.00 0.03 0.00 0.00 46.19 44.13 2cql s LEU 20 CO 0.01 -0.04 0.07 -0.54 0.23 0.00 0.00 176.35 176.08 2cql s LYS 21 N 1.67 0.87 5.39 1.70 1.02 -0.81 -5.02 119.74 124.56 2cql s LYS 21 Ca 0.07 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 55.01 2cql s LYS 21 Cb -0.16 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 2cql s LYS 21 CO 0.08 -0.90 0.00 0.41 -0.92 0.00 0.00 175.35 174.02 2cql n GLY 22 N 4.80 1.12 0.56 -3.33 0.00 -1.26 -1.21 105.19 105.87 2cql n GLY 22 Ca -0.03 0.37 0.08 0.00 0.00 0.00 0.00 46.02 46.43 2cql n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cql n ARG 23 N 0.00 2.03 -4.89 1.61 1.74 -1.26 -4.98 116.66 110.91 2cql n ARG 23 Ca 0.00 -2.80 -0.33 0.00 -0.77 0.00 0.00 57.85 53.95 2cql n ARG 23 Cb 0.00 -1.68 -0.16 0.00 -1.02 0.00 0.00 32.46 29.60 2cql n ARG 23 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2cql s THR 24 N -2.92 2.41 -0.27 0.55 2.01 -0.35 -1.47 115.64 115.59 2cql s THR 24 Ca 0.38 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 61.42 2cql s THR 24 Cb 0.33 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 2cql s THR 24 CO 0.04 0.54 0.10 -0.69 -0.69 0.00 0.00 174.62 173.93 2cql s VAL 25 N 0.51 4.48 -0.16 3.82 1.01 0.06 -1.93 120.40 128.19 2cql s VAL 25 Ca -0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 2cql s VAL 25 Cb -0.17 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2cql s VAL 25 CO 0.05 0.25 -0.04 -0.63 0.00 0.00 0.00 175.10 174.73 2cql s ILE 26 N 1.63 3.82 -0.08 2.22 1.01 -0.36 -0.26 121.20 129.16 2cql s ILE 26 Ca 0.06 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.37 2cql s ILE 26 Cb -0.16 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 2cql s ILE 26 CO 0.05 0.49 -0.22 -0.69 0.00 0.00 0.00 174.94 174.57 2cql s VAL 27 N 0.40 2.29 -0.12 2.92 1.01 0.19 -0.39 120.40 126.70 2cql s VAL 27 Ca -0.04 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 60.98 2cql s VAL 27 Cb -0.14 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.38 2cql s VAL 27 CO 0.03 0.56 -0.13 -0.75 0.00 0.00 0.00 175.10 174.81 2cql s LYS 28 N 0.04 2.06 0.23 2.72 2.20 0.15 -0.71 119.74 126.44 2cql s LYS 28 Ca -0.09 -0.48 0.05 0.00 -0.36 0.00 0.00 55.97 55.09 2cql s LYS 28 Cb -0.15 -1.86 -0.05 0.00 -1.51 0.00 0.00 37.83 34.25 2cql s LYS 28 CO 0.06 -0.16 -0.05 0.20 -0.36 0.00 0.00 175.35 175.03 2cql s GLY 29 N 1.30 1.57 0.00 5.54 0.00 0.65 -1.51 107.32 114.87 2cql s GLY 29 Ca -0.01 -1.77 0.12 0.00 0.00 0.00 0.00 44.72 43.06 2cql s GLY 29 CO -0.06 -1.73 1.12 -1.55 0.00 0.00 0.00 173.10 170.89 2cql n PRO 30 N -0.44 0.48 0.00 2.90 -0.04 -1.11 -1.85 135.00 134.94 2cql n PRO 30 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2cql n PRO 30 Cb 0.63 -1.37 -0.00 0.00 -0.04 0.00 0.00 33.50 32.71 2cql n PRO 30 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2cql n ARG 31 N -0.87 5.66 0.00 0.54 5.12 0.12 -5.01 116.66 122.21 2cql n ARG 31 Ca 0.09 -0.08 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 2cql n ARG 31 Cb 0.04 -0.61 0.00 0.00 -1.16 0.00 0.00 32.46 30.73 2cql n ARG 31 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2cql n GLY 32 N 0.88 0.04 3.02 -0.13 0.00 -0.77 -4.87 105.19 103.36 2cql n GLY 32 Ca 0.00 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 2cql n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cql s THR 33 N -2.00 1.47 -0.03 2.61 2.01 -1.26 -0.25 115.64 118.18 2cql s THR 33 Ca 0.00 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.45 2cql s THR 33 Cb 0.00 -1.38 -0.00 0.00 0.01 0.00 0.00 72.50 71.13 2cql s THR 33 CO 0.00 0.44 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.47 2cql s LEU 34 N 1.34 1.89 0.04 4.42 1.43 0.12 -5.01 118.68 122.90 2cql s LEU 34 Ca 0.01 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 2cql s LEU 34 Cb -0.13 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.26 2cql s LEU 34 CO -0.07 0.13 -0.05 0.00 0.23 0.00 0.00 176.35 176.59 2cql s ARG 35 N 0.02 0.45 0.02 1.70 1.70 -1.26 0.55 118.95 122.13 2cql s ARG 35 Ca -0.02 -0.77 0.03 0.00 -0.47 0.00 0.00 55.73 54.50 2cql s ARG 35 Cb -0.10 -0.03 -0.02 0.00 -0.57 0.00 0.00 34.95 34.24 2cql s ARG 35 CO 0.01 -0.02 -0.09 0.50 -1.08 0.00 0.00 175.30 174.61 2cql s ARG 36 N -1.93 0.66 -0.15 3.89 6.06 0.64 -4.99 118.95 123.13 2cql s ARG 36 Ca -0.10 -0.57 -0.01 0.00 -2.50 0.00 0.00 55.73 52.56 2cql s ARG 36 Cb -0.07 -0.58 -0.01 0.00 0.06 0.00 0.00 34.95 34.34 2cql s ARG 36 CO -0.02 0.14 -0.11 0.34 -2.50 0.00 0.00 175.30 173.15 2cql s ASP 37 N -0.92 4.11 -0.29 -2.12 -1.08 -1.26 -0.76 116.67 114.35 2cql s ASP 37 Ca -0.02 -0.32 0.13 0.00 -0.52 0.00 0.00 52.55 51.82 2cql s ASP 37 Cb -0.07 -1.64 0.48 0.00 -1.46 0.00 0.00 42.92 40.23 2cql s ASP 37 CO 0.00 0.14 1.15 0.49 0.52 0.00 0.00 175.17 177.48 2cql n PHE 38 N 3.71 2.21 0.02 -5.34 3.72 -0.55 -4.85 117.46 116.39 2cql n PHE 38 Ca -0.18 -2.24 -0.07 0.00 -0.05 0.00 0.00 57.45 54.91 2cql n PHE 38 Cb 0.52 -0.29 -0.05 0.00 -0.94 0.00 0.00 39.48 38.72 2cql n PHE 38 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2cql h ASN 39 N 2.37 -0.15 -1.17 4.37 4.21 -1.95 -3.24 115.58 120.02 2cql h ASN 39 Ca 0.18 -0.27 0.34 0.00 1.21 0.00 0.00 56.30 57.76 2cql h ASN 39 Cb 1.41 0.04 -0.05 0.00 -1.12 0.00 0.00 38.32 38.60 2cql h ASN 39 CO 0.55 0.44 1.17 1.12 -1.29 0.00 0.00 177.43 179.42 2cql h HIS 40 N -0.98 0.00 -3.15 1.19 2.07 -1.95 -3.36 115.15 108.96 2cql h HIS 40 Ca -0.02 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.90 2cql h HIS 40 Cb 0.40 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.30 2cql h HIS 40 CO 0.07 0.00 -0.28 0.42 -3.07 0.00 0.00 177.93 175.07 2cql s ILE 41 N -4.56 5.24 -1.18 6.12 1.01 -1.23 -5.02 121.20 121.58 2cql s ILE 41 Ca -0.03 0.65 -0.11 0.00 0.00 0.00 0.00 60.65 61.16 2cql s ILE 41 Cb 0.17 -3.66 0.22 0.00 0.01 0.00 0.00 42.46 39.20 2cql s ILE 41 CO 0.57 0.45 1.37 -0.46 0.00 0.00 0.00 174.94 176.88 2cql n ASN 42 N 2.95 5.41 -3.40 3.58 0.23 -1.26 -4.98 115.26 117.79 2cql n ASN 42 Ca -0.13 -3.04 -0.14 0.00 -0.53 0.00 0.00 54.58 50.74 2cql n ASN 42 Cb 0.52 -1.47 -0.01 0.00 -2.08 0.00 0.00 39.78 36.74 2cql n ASN 42 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 2cql n VAL 43 N 3.56 0.00 -4.96 3.53 0.24 -1.26 -4.38 118.33 115.06 2cql n VAL 43 Ca 0.32 -1.11 -0.32 0.00 -2.04 0.00 0.00 64.34 61.19 2cql n VAL 43 Cb 0.40 -0.17 -0.15 0.00 -1.47 0.00 0.00 33.84 32.45 2cql n VAL 43 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2cql s GLU 44 N -3.08 2.90 0.02 7.34 0.41 -0.51 -4.86 118.70 120.92 2cql s GLU 44 Ca 0.13 -0.76 -0.01 0.00 -0.41 0.00 0.00 54.97 53.92 2cql s GLU 44 Cb -0.01 -2.42 -0.02 0.00 -1.78 0.00 0.00 34.13 29.90 2cql s GLU 44 CO 0.08 0.37 -0.01 -0.51 -0.49 0.00 0.00 175.26 174.70 2cql s LEU 45 N -0.09 2.16 0.09 1.80 1.43 -1.26 0.75 118.68 123.55 2cql s LEU 45 Ca -0.03 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 2cql s LEU 45 Cb -0.14 0.18 0.01 0.00 0.03 0.00 0.00 46.19 46.27 2cql s LEU 45 CO 0.04 -0.31 0.26 -0.44 0.23 0.00 0.00 176.35 176.12 2cql s SER 46 N -1.48 -0.01 -0.20 2.29 0.01 -0.76 -4.98 113.70 108.57 2cql s SER 46 Ca -0.15 -0.48 -0.05 0.00 1.31 0.00 0.00 55.95 56.57 2cql s SER 46 Cb -0.09 0.37 -0.02 0.00 0.21 0.00 0.00 66.02 66.48 2cql s SER 46 CO -0.01 -0.73 -0.00 -0.22 0.41 0.00 0.00 173.24 172.69 2cql s LEU 47 N -2.67 3.22 0.18 2.44 2.96 -1.26 -1.47 118.68 122.08 2cql s LEU 47 Ca 0.02 -0.22 0.09 0.00 -0.22 0.00 0.00 54.13 53.80 2cql s LEU 47 Cb 0.03 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 2cql s LEU 47 CO -0.10 0.06 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.04 2cql s LEU 48 N 1.04 2.45 -0.18 -0.68 1.43 -0.74 -4.96 118.68 117.05 2cql s LEU 48 Ca 0.02 -0.88 -0.05 0.00 -1.03 0.00 0.00 54.13 52.19 2cql s LEU 48 Cb -0.14 -0.89 0.07 0.00 0.03 0.00 0.00 46.19 45.25 2cql s LEU 48 CO 0.01 -0.01 0.11 -0.83 0.23 0.00 0.00 176.35 175.86 2cql s GLY 49 N -2.75 0.32 -0.20 -3.19 0.00 -1.26 -0.89 107.32 99.35 2cql s GLY 49 Ca 0.18 -0.31 -0.16 0.00 0.00 0.00 0.00 44.72 44.43 2cql s GLY 49 CO 0.08 1.81 -0.34 1.17 0.00 0.00 0.00 173.10 175.81 2cql n LYS 50 N 5.28 0.53 -0.03 2.90 3.00 -1.26 -4.93 118.16 123.66 2cql n LYS 50 Ca -0.07 0.22 -0.06 0.00 -0.00 0.00 0.00 58.31 58.40 2cql n LYS 50 Cb 0.48 -1.41 -0.02 0.00 0.00 0.00 0.00 35.03 34.08 2cql n LYS 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2cql n LYS 51 N -4.37 0.13 0.00 1.64 5.02 -1.26 -5.03 118.16 114.29 2cql n LYS 51 Ca -0.24 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 2cql n LYS 51 Cb 0.60 -0.72 0.00 0.00 -0.02 0.00 0.00 35.03 34.90 2cql n LYS 51 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2cql n LYS 52 N -3.31 0.00 -3.67 1.97 4.01 -1.26 -5.12 118.16 110.77 2cql n LYS 52 Ca -0.11 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 57.60 2cql n LYS 52 Cb 0.54 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 34.97 2cql n LYS 52 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2cql s LYS 53 N -0.98 0.41 0.03 1.97 1.02 -1.26 -4.91 119.74 116.02 2cql s LYS 53 Ca 0.00 0.95 0.05 0.00 0.02 0.00 0.00 55.97 56.99 2cql s LYS 53 Cb 0.00 0.15 -0.02 0.00 -0.52 0.00 0.00 37.83 37.44 2cql s LYS 53 CO 0.00 -0.19 -0.15 1.03 -0.92 0.00 0.00 175.35 175.12 2cql s ARG 54 N 1.90 1.01 -0.17 1.68 0.52 -0.07 -1.94 118.95 121.88 2cql s ARG 54 Ca -0.07 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 54.42 2cql s ARG 54 Cb -0.09 -1.02 0.01 0.00 0.52 0.00 0.00 34.95 34.37 2cql s ARG 54 CO -0.14 0.26 -0.17 -1.17 0.02 0.00 0.00 175.30 174.10 2cql s LEU 55 N -1.00 2.35 -0.30 2.53 2.96 -0.77 -1.79 118.68 122.66 2cql s LEU 55 Ca 0.03 -0.54 -0.15 0.00 -0.22 0.00 0.00 54.13 53.25 2cql s LEU 55 Cb -0.07 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 2cql s LEU 55 CO 0.01 0.05 0.37 -0.60 -1.32 0.00 0.00 176.35 174.86 2cql s ARG 56 N 1.03 3.85 -0.23 1.98 3.52 -0.54 0.75 118.95 129.32 2cql s ARG 56 Ca -0.01 -0.12 -0.10 0.00 -0.13 0.00 0.00 55.73 55.36 2cql s ARG 56 Cb -0.15 -3.71 -0.05 0.00 -1.56 0.00 0.00 34.95 29.49 2cql s ARG 56 CO -0.05 -0.37 0.15 0.08 -0.81 0.00 0.00 175.30 174.30 2cql s VAL 57 N 2.07 5.29 0.18 7.11 1.01 0.90 -1.84 120.40 135.12 2cql s VAL 57 Ca 0.14 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.30 2cql s VAL 57 Cb -0.16 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 2cql s VAL 57 CO 0.11 0.37 -0.01 -1.81 0.00 0.00 0.00 175.10 173.76 2cql s ASP 58 N 0.92 1.37 0.07 3.32 1.11 0.23 -1.96 116.67 121.72 2cql s ASP 58 Ca 0.07 -1.16 -0.01 0.00 0.18 0.00 0.00 52.55 51.63 2cql s ASP 58 Cb -0.13 0.09 -0.04 0.00 1.07 0.00 0.00 42.92 43.91 2cql s ASP 58 CO 0.03 -0.54 -0.02 -0.75 1.18 0.00 0.00 175.17 175.07 2cql s LYS 59 N -3.89 0.69 -0.73 8.23 2.20 -1.26 -1.42 119.74 123.55 2cql s LYS 59 Ca 0.24 -1.27 -0.30 0.00 -0.36 0.00 0.00 55.97 54.28 2cql s LYS 59 Cb 0.06 0.15 -0.15 0.00 -1.51 0.00 0.00 37.83 36.38 2cql s LYS 59 CO 0.04 -0.12 2.53 -2.67 -0.36 0.00 0.00 175.35 174.78 2cql n TRP 60 N 0.06 1.00 -1.66 4.03 4.27 -1.26 -4.65 117.44 119.23 2cql n TRP 60 Ca -0.13 0.28 -0.55 0.00 -3.89 0.00 0.00 57.50 53.21 2cql n TRP 60 Cb 0.61 -2.49 -0.07 0.00 -1.36 0.00 0.00 31.31 28.01 2cql n TRP 60 CO 0.00 0.00 0.00 0.91 -2.29 0.00 0.00 177.69 176.31 2cql n TRP 61 N 12.45 1.85 0.00 -2.67 8.01 -1.26 -4.68 117.44 131.14 2cql n TRP 61 Ca 0.52 0.56 0.00 0.00 -1.31 0.00 0.00 57.50 57.28 2cql n TRP 61 Cb 0.24 -2.41 0.00 0.00 -2.01 0.00 0.00 31.31 27.13 2cql n TRP 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2cql n GLY 62 N 3.55 -0.55 2.11 6.99 0.00 -1.26 -5.02 105.19 111.00 2cql n GLY 62 Ca 0.23 0.61 -0.16 0.00 0.00 0.00 0.00 46.02 46.71 2cql n GLY 62 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2cql n ASN 63 N 0.00 0.08 -0.71 1.61 4.13 -1.26 -4.92 115.26 114.18 2cql n ASN 63 Ca 0.00 -1.27 0.00 0.00 1.68 0.00 0.00 54.58 54.99 2cql n ASN 63 Cb 0.00 -0.55 0.05 0.00 -1.54 0.00 0.00 39.78 37.74 2cql n ASN 63 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2cql n ARG 64 N -2.52 1.44 0.09 3.52 1.74 -1.26 -3.76 116.66 115.91 2cql n ARG 64 Ca 0.09 -0.38 -0.13 0.00 -0.77 0.00 0.00 57.85 56.67 2cql n ARG 64 Cb 0.32 -1.55 -0.11 0.00 -1.02 0.00 0.00 32.46 30.09 2cql n ARG 64 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2cql h LYS 65 N 0.44 0.21 -0.22 5.56 1.63 -1.97 -3.23 116.57 118.99 2cql h LYS 65 Ca 0.01 -0.34 0.06 0.00 -0.85 0.00 0.00 60.65 59.54 2cql h LYS 65 Cb 0.73 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.47 2cql h LYS 65 CO 0.07 1.13 0.21 0.93 -3.45 0.00 0.00 179.45 178.34 2cql h GLU 66 N 0.07 0.00 -0.66 1.90 3.07 -1.90 -0.71 114.58 116.35 2cql h GLU 66 Ca -0.09 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.69 2cql h GLU 66 Cb 1.85 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.73 2cql h GLU 66 CO 0.18 0.00 0.13 1.37 -1.40 0.00 0.00 179.01 179.28 2cql h LEU 67 N 0.00 1.03 -0.14 1.33 8.10 -1.85 0.39 115.31 124.17 2cql h LEU 67 Ca 0.11 -0.25 -0.14 0.00 0.11 0.00 0.00 57.88 57.71 2cql h LEU 67 Cb 0.53 -0.27 0.00 0.00 -0.44 0.00 0.00 40.66 40.48 2cql h LEU 67 CO -0.00 1.02 -0.45 0.00 -4.11 0.00 0.00 178.44 174.89 2cql h ALA 68 N 1.05 0.25 -0.36 0.17 0.00 -1.31 -2.27 119.26 116.79 2cql h ALA 68 Ca 0.20 -0.48 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 2cql h ALA 68 Cb 0.41 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2cql h ALA 68 CO 0.01 0.39 -0.37 1.15 0.00 0.00 0.00 179.25 180.43 2cql h THR 69 N 0.19 1.28 -0.32 0.00 2.02 -1.36 -2.36 112.91 112.36 2cql h THR 69 Ca -0.02 -1.54 -0.03 0.00 0.77 0.00 0.00 66.41 65.59 2cql h THR 69 Cb 1.08 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 2cql h THR 69 CO 0.10 0.51 0.08 0.58 0.37 0.00 0.00 175.52 177.15 2cql h VAL 70 N 0.70 1.22 -0.44 3.16 2.07 -0.26 -0.86 116.25 121.85 2cql h VAL 70 Ca 0.06 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 2cql h VAL 70 Cb 0.94 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 2cql h VAL 70 CO 0.09 0.25 0.24 0.03 0.02 0.00 0.00 177.57 178.20 2cql h ARG 71 N 0.36 0.61 -0.24 1.57 3.08 -1.39 -0.18 114.38 118.20 2cql h ARG 71 Ca 0.10 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2cql h ARG 71 Cb 0.30 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2cql h ARG 71 CO 0.00 0.49 0.10 1.15 -1.07 0.00 0.00 179.97 180.64 2cql h THR 72 N 0.57 1.16 -0.20 2.04 2.02 -1.33 -2.06 112.91 115.11 2cql h THR 72 Ca 0.15 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 2cql h THR 72 Cb 0.06 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 2cql h THR 72 CO -0.02 0.16 0.12 0.40 0.37 0.00 0.00 175.52 176.54 2cql h ILE 73 N 0.24 1.09 -0.96 3.11 2.04 -1.00 -2.01 117.51 120.01 2cql h ILE 73 Ca 0.08 -0.21 0.10 0.00 1.00 0.00 0.00 64.86 65.82 2cql h ILE 73 Cb 0.16 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 2cql h ILE 73 CO -0.01 0.08 0.62 0.00 0.00 0.00 0.00 178.15 178.84 2cql h SER 75 N 1.01 1.03 -0.33 0.00 0.87 -0.97 -1.68 113.55 113.47 2cql h SER 75 Ca 0.45 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2cql h SER 75 Cb 0.37 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 2cql h SER 75 CO -0.21 1.08 0.20 0.45 -0.53 0.00 0.00 176.83 177.83 2cql h HIS 76 N 0.96 0.42 -0.07 2.24 -0.00 -0.52 0.19 115.15 118.38 2cql h HIS 76 Ca 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.54 2cql h HIS 76 Cb 0.56 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 27.82 2cql h HIS 76 CO 0.04 0.29 0.02 0.28 -0.00 0.00 0.00 177.93 178.56 2cql h VAL 77 N 0.43 1.18 -0.93 2.45 2.07 -1.28 -1.45 116.25 118.72 2cql h VAL 77 Ca 0.12 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2cql h VAL 77 Cb -0.01 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 2cql h VAL 77 CO -0.02 0.15 0.55 1.56 0.02 0.00 0.00 177.57 179.83 2cql h GLN 78 N -0.10 1.27 -0.62 1.57 1.08 -1.18 -2.25 115.11 114.89 2cql h GLN 78 Ca 0.02 -0.12 -0.07 0.00 -1.45 0.00 0.00 58.65 57.03 2cql h GLN 78 Cb 0.23 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 2cql h GLN 78 CO -0.00 0.90 0.12 -0.97 -0.95 0.00 0.00 178.83 177.93 2cql h ASN 79 N 1.29 0.94 -0.28 1.46 -1.24 -0.50 -2.23 115.58 115.01 2cql h ASN 79 Ca 0.33 -0.20 -0.01 0.00 0.71 0.00 0.00 56.30 57.13 2cql h ASN 79 Cb -0.03 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.76 2cql h ASN 79 CO -0.06 0.92 0.13 0.24 -1.29 0.00 0.00 177.43 177.38 2cql h MET 80 N 0.94 0.41 -0.39 6.67 2.86 -0.74 0.31 114.93 124.98 2cql h MET 80 Ca 0.19 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2cql h MET 80 Cb 0.38 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2cql h MET 80 CO 0.01 0.40 0.26 0.82 1.06 0.00 0.00 176.91 179.45 2cql h ILE 81 N 0.32 1.10 -0.25 -1.22 2.04 -1.26 -0.68 117.51 117.57 2cql h ILE 81 Ca 0.10 -0.20 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 2cql h ILE 81 Cb 0.13 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2cql h ILE 81 CO -0.01 0.10 -0.16 0.11 0.00 0.00 0.00 178.15 178.19 2cql h LYS 82 N 0.53 0.43 0.00 2.37 1.57 -1.26 0.15 116.57 120.36 2cql h LYS 82 Ca 0.14 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 2cql h LYS 82 Cb -0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2cql h LYS 82 CO -0.03 0.59 -0.38 0.78 -0.57 0.00 0.00 179.45 179.84 2cql h GLY 83 N 0.93 0.00 0.18 3.86 0.00 -0.39 0.27 103.07 107.92 2cql h GLY 83 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2cql h GLY 83 CO 0.03 0.00 -0.94 3.33 0.00 0.00 0.00 176.54 178.96 2cql n VAL 84 N -3.47 0.00 0.00 4.60 0.24 -0.31 -2.18 118.33 117.21 2cql n VAL 84 Ca 0.00 -0.02 0.07 0.00 -2.04 0.00 0.00 64.34 62.35 2cql n VAL 84 Cb 0.53 0.83 -0.10 0.00 -1.47 0.00 0.00 33.84 33.63 2cql n VAL 84 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2cql n THR 85 N -1.53 0.00 -0.02 3.34 -2.24 0.49 0.10 114.28 114.42 2cql n THR 85 Ca 0.04 -0.31 -0.03 0.00 -2.27 0.00 0.00 64.05 61.49 2cql n THR 85 Cb 0.34 0.21 -0.01 0.00 -2.10 0.00 0.00 70.33 68.76 2cql n THR 85 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2cql n LEU 86 N -1.96 1.88 0.00 3.22 4.77 0.95 -4.89 117.00 120.97 2cql n LEU 86 Ca -0.02 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2cql n LEU 86 Cb 0.35 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2cql n LEU 86 CO 0.28 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 2cql n GLY 87 N 3.11 4.10 3.64 -0.72 0.00 -0.93 -5.03 105.19 109.36 2cql n GLY 87 Ca -0.06 -1.28 -0.63 0.00 0.00 0.00 0.00 46.02 44.04 2cql n GLY 87 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cql n SER 88 N 0.00 0.76 -2.82 1.61 2.88 -1.17 -4.74 113.62 110.14 2cql n SER 88 Ca 0.00 1.17 -0.14 0.00 -1.33 0.00 0.00 58.87 58.57 2cql n SER 88 Cb 0.00 -0.91 -0.04 0.00 -0.75 0.00 0.00 64.21 62.51 2cql n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cql n GLY 89 N 2.93 3.63 3.74 0.46 0.00 -1.26 -5.13 105.19 109.56 2cql n GLY 89 Ca 0.26 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 2cql n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cql s PRO 90 N -2.87 4.40 -0.10 1.61 0.04 -1.26 -4.96 135.00 131.87 2cql s PRO 90 Ca 0.11 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 63.04 2cql s PRO 90 Cb 0.01 -3.19 -0.28 0.00 0.04 0.00 0.00 34.50 31.08 2cql s PRO 90 CO 0.08 -0.22 0.56 0.77 0.04 0.00 0.00 177.00 178.23 2cql h SER 91 N 5.18 0.41 -3.74 6.66 0.02 -2.03 -3.42 113.55 116.63 2cql h SER 91 Ca -0.45 -0.86 -0.75 0.00 -0.84 0.00 0.00 61.79 58.88 2cql h SER 91 Cb 1.22 -0.13 -0.29 0.00 0.14 0.00 0.00 62.40 63.34 2cql h SER 91 CO 0.76 1.64 -0.13 -0.44 -1.14 0.00 0.00 176.83 177.52 2cql s SER 92 N -7.06 6.15 0.00 3.07 0.01 -1.26 -5.31 113.70 109.30 2cql s SER 92 Ca -0.20 -2.51 0.00 0.00 1.31 0.00 0.00 55.95 54.55 2cql s SER 92 Cb 0.05 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.19 2cql s SER 92 CO 0.77 -0.57 0.00 0.61 0.41 0.00 0.00 173.24 174.46