#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jql s ARG 20 N 0.00 1.83 0.25 1.97 0.52 -1.26 -5.14 118.95 117.12 2jql s ARG 20 Ca 0.00 -0.63 0.07 0.00 -0.52 0.00 0.00 55.73 54.65 2jql s ARG 20 Cb 0.00 -1.59 -0.05 0.00 0.52 0.00 0.00 34.95 33.82 2jql s ARG 20 CO 0.00 0.26 -0.10 1.14 0.02 0.00 0.00 175.30 176.61 2jql s GLN 21 N 0.01 1.46 -0.17 3.54 -2.07 -1.26 -5.07 119.66 116.10 2jql s GLN 21 Ca -0.04 -1.70 -0.11 0.00 -1.82 0.00 0.00 55.36 51.70 2jql s GLN 21 Cb -0.12 -1.16 -0.22 0.00 -1.09 0.00 0.00 33.01 30.42 2jql s GLN 21 CO 0.02 0.12 0.22 1.04 -1.32 0.00 0.00 175.29 175.37 2jql n GLN 22 N -0.49 0.68 -1.89 9.60 3.00 -1.26 -5.06 117.38 121.97 2jql n GLN 22 Ca -0.07 0.34 -0.03 0.00 -0.01 0.00 0.00 57.00 57.24 2jql n GLN 22 Cb 0.62 -1.69 0.00 0.00 0.00 0.00 0.00 30.24 29.17 2jql n GLN 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2jql n ARG 23 N -3.79 0.26 -3.43 -1.09 3.00 -1.26 -5.17 116.66 105.19 2jql n ARG 23 Ca -0.35 -0.63 0.01 0.00 -0.00 0.00 0.00 57.85 56.88 2jql n ARG 23 Cb 0.93 0.72 -0.03 0.00 0.00 0.00 0.00 32.46 34.08 2jql n ARG 23 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2jql s SER 24 N -1.55 -1.05 0.00 6.15 0.15 -1.26 -5.03 113.70 111.12 2jql s SER 24 Ca 0.05 1.14 0.00 0.00 0.70 0.00 0.00 55.95 57.84 2jql s SER 24 Cb -0.01 2.07 0.00 0.00 -1.71 0.00 0.00 66.02 66.37 2jql s SER 24 CO 0.04 -0.20 0.00 -0.46 1.20 0.00 0.00 173.24 173.82 2jql n ASN 25 N 5.35 0.00 -4.65 5.45 6.94 -1.26 -5.10 115.26 121.99 2jql n ASN 25 Ca -0.08 0.00 -0.43 0.00 -0.02 0.00 0.00 54.58 54.05 2jql n ASN 25 Cb 0.51 0.27 -0.02 0.00 -2.36 0.00 0.00 39.78 38.17 2jql n ASN 25 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2jql s LYS 26 N -1.59 4.14 0.37 -3.83 1.02 -1.26 -4.99 119.74 113.60 2jql s LYS 26 Ca 0.00 1.86 -0.27 0.00 0.02 0.00 0.00 55.97 57.58 2jql s LYS 26 Cb 0.00 -3.90 -0.09 0.00 -0.52 0.00 0.00 37.83 33.32 2jql s LYS 26 CO 0.00 -0.86 1.19 -1.25 -0.92 0.00 0.00 175.35 173.52 2jql s PRO 27 N 3.90 4.20 0.17 -1.68 0.04 -1.26 -4.67 135.00 135.71 2jql s PRO 27 Ca 0.65 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.61 2jql s PRO 27 Cb -0.27 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.44 2jql s PRO 27 CO 0.23 -0.22 0.00 0.43 0.04 0.00 0.00 177.00 177.48 2jql n SER 28 N 0.39 -8.52 -0.09 6.66 7.64 -1.26 -5.01 113.62 113.43 2jql n SER 28 Ca 0.03 1.33 -0.16 0.00 1.01 0.00 0.00 58.87 61.08 2jql n SER 28 Cb 0.45 -4.79 -0.07 0.00 -1.01 0.00 0.00 64.21 58.79 2jql n SER 28 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jql n SER 29 N 1.76 2.02 -1.47 6.43 7.64 -1.26 -5.13 113.62 123.61 2jql n SER 29 Ca 0.00 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2jql n SER 29 Cb 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 2jql n SER 29 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jql n GLU 30 N -3.39 -4.09 0.00 1.43 -0.58 -1.26 -5.08 120.64 107.67 2jql n GLU 30 Ca -0.33 3.09 0.00 0.00 -0.42 0.00 0.00 57.16 59.50 2jql n GLU 30 Cb 0.79 -3.63 0.00 0.00 -0.57 0.00 0.00 31.44 28.04 2jql n GLU 30 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2jql n TYR 31 N -1.54 0.00 -3.88 -0.32 4.02 -1.26 -5.15 117.16 109.02 2jql n TYR 31 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.72 2jql n TYR 31 Cb 0.18 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.33 2jql n TYR 31 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jql s THR 32 N 3.28 0.12 0.52 -0.72 2.01 -1.26 -5.03 115.64 114.55 2jql s THR 32 Ca 0.00 0.13 -0.23 0.00 0.31 0.00 0.00 61.69 61.90 2jql s THR 32 Cb 0.00 -0.23 -0.06 0.00 0.01 0.00 0.00 72.50 72.22 2jql s THR 32 CO 0.00 0.14 1.40 0.00 -0.69 0.00 0.00 174.62 175.46 2jql n LEU 34 N -0.76 0.00 -4.19 0.00 0.00 -1.11 -4.92 117.00 106.02 2jql n LEU 34 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 56.01 55.92 2jql n LEU 34 Cb 0.44 0.14 -0.06 0.00 0.00 0.00 0.00 43.42 43.93 2jql n LEU 34 CO 0.55 -0.30 0.02 -0.83 0.00 0.00 0.00 177.39 176.83 2jql s GLY 35 N -2.99 1.99 0.07 -3.96 0.00 -1.13 0.11 107.32 101.40 2jql s GLY 35 Ca 0.00 -1.84 -0.09 0.00 0.00 0.00 0.00 44.72 42.79 2jql s GLY 35 CO 0.00 -1.25 0.19 0.30 0.00 0.00 0.00 173.10 172.33 2jql s HIS 36 N -3.19 0.12 -0.20 1.90 3.76 -0.99 -0.58 115.29 116.12 2jql s HIS 36 Ca 0.36 -0.47 0.01 0.00 -0.15 0.00 0.00 55.06 54.82 2jql s HIS 36 Cb 0.01 -0.05 0.04 0.00 1.11 0.00 0.00 32.58 33.68 2jql s HIS 36 CO 0.25 -0.49 -0.14 -0.51 -0.85 0.00 0.00 174.74 172.99 2jql s LEU 37 N -2.55 2.47 -0.26 0.89 1.43 0.11 -2.93 118.68 117.84 2jql s LEU 37 Ca 0.01 -0.89 -0.10 0.00 -1.03 0.00 0.00 54.13 52.11 2jql s LEU 37 Cb 0.03 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.80 2jql s LEU 37 CO -0.08 -0.09 0.16 -0.69 0.23 0.00 0.00 176.35 175.88 2jql s VAL 38 N 1.29 5.17 -0.32 -1.59 1.01 -0.93 -0.26 120.40 124.78 2jql s VAL 38 Ca -0.00 0.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.89 2jql s VAL 38 Cb -0.16 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 2jql s VAL 38 CO -0.09 0.30 0.65 0.20 0.00 0.00 0.00 175.10 176.15 2jql s ASN 39 N 1.50 6.50 -0.45 3.32 0.01 0.23 0.86 114.94 126.91 2jql s ASN 39 Ca 0.07 0.39 -0.28 0.00 -0.71 0.00 0.00 52.86 52.33 2jql s ASN 39 Cb -0.15 -2.34 -0.01 0.00 0.41 0.00 0.00 41.25 39.16 2jql s ASN 39 CO 0.08 -0.52 1.71 -0.76 -1.51 0.00 0.00 177.10 176.09 2jql s LEU 40 N 2.67 3.45 -0.02 0.60 1.02 0.12 -3.07 118.68 123.45 2jql s LEU 40 Ca 0.26 0.85 0.06 0.00 0.02 0.00 0.00 54.13 55.31 2jql s LEU 40 Cb -0.15 -3.20 -0.01 0.00 0.02 0.00 0.00 46.19 42.85 2jql s LEU 40 CO 0.13 -1.84 -0.20 -0.63 0.02 0.00 0.00 176.35 173.82 2jql s ILE 41 N 7.14 1.63 0.56 -0.59 -1.09 -1.26 -4.73 121.20 122.85 2jql s ILE 41 Ca 0.70 -0.87 0.41 0.00 -2.23 0.00 0.00 60.65 58.66 2jql s ILE 41 Cb -0.17 -1.36 0.61 0.00 -1.58 0.00 0.00 42.46 39.95 2jql s ILE 41 CO 0.29 0.46 1.67 -0.65 -1.23 0.00 0.00 174.94 175.48 2jql h PRO 42 N 5.78 0.00 0.00 2.79 0.11 -2.02 -3.40 132.00 135.25 2jql h PRO 42 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2jql h PRO 42 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2jql h PRO 42 CO 0.48 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.68 2jql n GLY 43 N -1.81 1.75 3.67 -0.55 0.00 -1.26 -5.07 105.19 101.91 2jql n GLY 43 Ca 0.32 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.90 2jql n GLY 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jql n LYS 44 N 0.00 1.93 -3.36 1.61 5.02 -1.26 -4.97 118.16 117.13 2jql n LYS 44 Ca 0.00 0.68 -0.32 0.00 -2.02 0.00 0.00 58.31 56.65 2jql n LYS 44 Cb 0.00 -2.24 -0.06 0.00 -0.02 0.00 0.00 35.03 32.72 2jql n LYS 44 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2jql s GLU 45 N -1.40 3.84 -0.33 1.97 2.02 -1.26 -4.48 118.70 119.05 2jql s GLU 45 Ca 0.60 0.35 -0.04 0.00 0.02 0.00 0.00 54.97 55.91 2jql s GLU 45 Cb -0.62 -2.60 0.06 0.00 0.10 0.00 0.00 34.13 31.06 2jql s GLU 45 CO 0.58 0.28 0.07 -0.65 0.02 0.00 0.00 175.26 175.57 2jql s GLN 46 N -2.85 2.43 -0.20 1.61 1.11 -1.18 -4.95 119.66 115.63 2jql s GLN 46 Ca 0.49 -1.33 -0.06 0.00 0.01 0.00 0.00 55.36 54.46 2jql s GLN 46 Cb -0.11 -3.35 -0.03 0.00 -1.01 0.00 0.00 33.01 28.51 2jql s GLN 46 CO 0.20 -0.71 0.04 0.21 0.01 0.00 0.00 175.29 175.04 2jql s LYS 47 N 1.29 3.80 0.15 2.91 2.36 -1.26 0.74 119.74 129.73 2jql s LYS 47 Ca -0.02 -0.43 0.11 0.00 -2.55 0.00 0.00 55.97 53.08 2jql s LYS 47 Cb -0.20 -3.18 -0.04 0.00 -1.05 0.00 0.00 37.83 33.36 2jql s LYS 47 CO -0.00 0.12 -0.26 0.08 1.55 0.00 0.00 175.35 176.84 2jql s VAL 48 N 0.77 2.32 -0.17 4.02 1.01 0.65 -4.92 120.40 124.07 2jql s VAL 48 Ca 0.02 -1.81 -0.08 0.00 0.00 0.00 0.00 61.98 60.11 2jql s VAL 48 Cb -0.14 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2jql s VAL 48 CO 0.02 0.04 0.11 -0.70 0.00 0.00 0.00 175.10 174.57 2jql s GLU 49 N -2.22 3.88 -0.11 2.72 2.12 -1.26 0.07 118.70 123.89 2jql s GLU 49 Ca 0.16 -0.24 0.01 0.00 0.36 0.00 0.00 54.97 55.26 2jql s GLU 49 Cb -0.09 -3.27 -0.02 0.00 0.26 0.00 0.00 34.13 31.01 2jql s GLU 49 CO 0.07 0.44 -0.14 -1.50 -0.54 0.00 0.00 175.26 173.59 2jql s ILE 50 N -0.06 2.98 0.39 -3.70 2.07 0.25 -4.94 121.20 118.20 2jql s ILE 50 Ca 0.09 -0.70 0.08 0.00 -1.41 0.00 0.00 60.65 58.70 2jql s ILE 50 Cb -0.12 -2.23 -0.02 0.00 0.13 0.00 0.00 42.46 40.23 2jql s ILE 50 CO 0.00 0.54 0.38 0.42 -1.91 0.00 0.00 174.94 174.37 2jql s THR 51 N 0.11 3.00 -1.41 4.00 -4.23 -1.26 -2.76 115.64 113.09 2jql s THR 51 Ca -0.07 -1.30 -0.12 0.00 -1.18 0.00 0.00 61.69 59.02 2jql s THR 51 Cb -0.15 -3.07 0.07 0.00 1.34 0.00 0.00 72.50 70.70 2jql s THR 51 CO 0.05 -0.06 2.19 -0.46 -0.54 0.00 0.00 174.62 175.80 2jql n ASN 52 N -1.53 4.96 -0.49 3.99 0.23 -1.20 -4.63 115.26 116.58 2jql n ASN 52 Ca 0.02 -2.92 0.10 0.00 -0.53 0.00 0.00 54.58 51.25 2jql n ASN 52 Cb 0.61 -1.57 0.38 0.00 -2.08 0.00 0.00 39.78 37.11 2jql n ASN 52 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2jql n ARG 53 N 4.88 1.65 0.00 -3.83 0.63 -1.26 -4.90 116.66 113.83 2jql n ARG 53 Ca 0.51 -0.97 0.00 0.00 -0.92 0.00 0.00 57.85 56.47 2jql n ARG 53 Cb 0.36 -1.37 0.00 0.00 0.45 0.00 0.00 32.46 31.90 2jql n ARG 53 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2jql n ASN 54 N 0.20 0.00 -3.91 6.15 2.85 -0.84 -4.77 115.26 114.94 2jql n ASN 54 Ca 0.15 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.47 2jql n ASN 54 Cb 0.29 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.17 2jql n ASN 54 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2jql s VAL 55 N 0.00 0.27 -0.08 3.44 1.01 -1.26 -1.66 120.40 122.12 2jql s VAL 55 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.90 2jql s VAL 55 Cb 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.13 2jql s VAL 55 CO 0.00 0.09 -0.17 -0.89 0.00 0.00 0.00 175.10 174.14 2jql s THR 56 N 0.15 1.48 -0.16 3.92 2.01 0.51 -4.88 115.64 118.68 2jql s THR 56 Ca -0.01 -0.68 -0.07 0.00 0.31 0.00 0.00 61.69 61.24 2jql s THR 56 Cb -0.04 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 2jql s THR 56 CO -0.00 0.43 0.06 0.42 -0.69 0.00 0.00 174.62 174.84 2jql s THR 57 N 0.57 4.81 -0.13 -0.82 -4.23 -1.26 0.06 115.64 114.64 2jql s THR 57 Ca -0.16 -0.03 0.01 0.00 -1.18 0.00 0.00 61.69 60.33 2jql s THR 57 Cb -0.17 -3.14 -0.01 0.00 1.34 0.00 0.00 72.50 70.53 2jql s THR 57 CO 0.05 0.50 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.84 2jql s ILE 58 N -0.01 2.61 0.00 2.99 1.01 -0.15 0.29 121.20 127.94 2jql s ILE 58 Ca 0.06 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.90 2jql s ILE 58 Cb -0.12 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.28 2jql s ILE 58 CO 0.01 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.09 2jql n GLY 59 N 3.71 -0.54 0.02 6.18 0.00 -0.97 -2.58 105.19 111.01 2jql n GLY 59 Ca -0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.57 2jql n GLY 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jql n ARG 60 N 0.00 2.41 -1.69 1.61 0.63 -1.24 -2.76 116.66 115.63 2jql n ARG 60 Ca 0.00 -0.01 -0.58 0.00 -0.92 0.00 0.00 57.85 56.33 2jql n ARG 60 Cb 0.00 -1.12 -0.07 0.00 0.45 0.00 0.00 32.46 31.72 2jql n ARG 60 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2jql n SER 61 N -2.04 1.96 0.11 6.15 2.88 -1.26 -4.79 113.62 116.64 2jql n SER 61 Ca -0.06 1.10 0.19 0.00 -1.33 0.00 0.00 58.87 58.78 2jql n SER 61 Cb 0.51 -1.10 0.76 0.00 -0.75 0.00 0.00 64.21 63.63 2jql n SER 61 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2jql h ARG 62 N 6.21 0.00 0.00 -1.46 1.12 -1.98 0.35 114.38 118.62 2jql h ARG 62 Ca -0.46 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.36 2jql h ARG 62 Cb 1.33 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.29 2jql h ARG 62 CO 0.92 0.00 -0.23 1.03 -3.11 0.00 0.00 179.97 178.58 2jql h SER 63 N 0.00 0.00 -3.35 -3.80 0.87 -2.00 -3.46 113.55 101.81 2jql h SER 63 Ca 0.17 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.22 2jql h SER 63 Cb 0.82 0.00 0.22 0.00 -0.44 0.00 0.00 62.40 62.99 2jql h SER 63 CO -0.00 0.23 -0.43 0.00 -0.53 0.00 0.00 176.83 176.10 2jql h ASP 65 N -1.89 0.04 -3.70 0.00 1.82 -0.64 -3.46 116.42 108.60 2jql h ASP 65 Ca -0.48 -0.89 -0.58 0.00 -0.39 0.00 0.00 57.03 54.69 2jql h ASP 65 Cb 1.30 -0.01 -0.32 0.00 0.68 0.00 0.00 39.33 40.98 2jql h ASP 65 CO 0.38 1.15 -0.84 -0.69 -1.61 0.00 0.00 179.24 177.63 2jql s VAL 66 N -2.27 1.54 -0.26 2.25 1.01 0.14 -4.89 120.40 117.92 2jql s VAL 66 Ca -0.21 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 2jql s VAL 66 Cb -0.01 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 2jql s VAL 66 CO 0.68 0.44 0.15 0.27 0.00 0.00 0.00 175.10 176.65 2jql s ILE 67 N 0.22 5.14 0.00 2.22 -4.36 -1.26 -2.30 121.20 120.85 2jql s ILE 67 Ca -0.09 0.11 0.00 0.00 -0.26 0.00 0.00 60.65 60.41 2jql s ILE 67 Cb -0.14 -3.42 0.00 0.00 1.25 0.00 0.00 42.46 40.15 2jql s ILE 67 CO 0.04 0.31 0.00 0.18 0.24 0.00 0.00 174.94 175.71 2jql n LEU 68 N 4.69 0.00 0.00 0.37 4.77 -1.11 -4.93 117.00 120.78 2jql n LEU 68 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2jql n LEU 68 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2jql n LEU 68 CO 0.33 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.15 2jql n SER 69 N 0.00 0.00 0.00 -1.43 2.88 -1.26 -5.09 113.62 108.72 2jql n SER 69 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jql n SER 69 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2jql n SER 69 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jql n GLU 70 N 0.00 0.00 -0.37 -1.46 1.02 -1.26 -4.92 120.64 113.65 2jql n GLU 70 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 2jql n GLU 70 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 31.53 2jql n GLU 70 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2jql h PRO 71 N 0.00 1.32 0.00 3.49 0.11 -2.00 -3.18 132.00 131.74 2jql h PRO 71 Ca 0.00 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 65.97 2jql h PRO 71 Cb 0.00 -0.29 -0.10 0.00 0.11 0.00 0.00 31.00 30.73 2jql h PRO 71 CO 0.00 0.89 -0.59 -0.25 -0.21 0.00 0.00 178.00 177.84 2jql n ASP 72 N -4.37 1.54 -4.60 -2.05 8.00 -1.26 -5.03 116.55 108.78 2jql n ASP 72 Ca 0.11 -3.32 -0.38 0.00 0.71 0.00 0.00 54.79 51.91 2jql n ASP 72 Cb 0.03 -0.46 -0.10 0.00 -0.02 0.00 0.00 41.12 40.57 2jql n ASP 72 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2jql s ILE 73 N -2.32 5.26 0.26 0.53 1.10 -1.20 -5.02 121.20 119.80 2jql s ILE 73 Ca 0.35 0.33 -0.31 0.00 -0.51 0.00 0.00 60.65 60.52 2jql s ILE 73 Cb 0.36 -3.60 -0.12 0.00 0.15 0.00 0.00 42.46 39.25 2jql s ILE 73 CO -0.08 0.21 1.62 -1.20 -2.11 0.00 0.00 174.94 173.38 2jql n SER 74 N 5.16 3.78 -0.14 4.50 7.64 -1.26 -4.11 113.62 129.20 2jql n SER 74 Ca -0.12 1.12 -0.03 0.00 1.01 0.00 0.00 58.87 60.85 2jql n SER 74 Cb 0.51 -1.57 0.19 0.00 -1.01 0.00 0.00 64.21 62.33 2jql n SER 74 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2jql h THR 75 N 3.46 1.23 -0.47 0.44 2.02 -1.92 -2.51 112.91 115.15 2jql h THR 75 Ca -0.46 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 65.92 2jql h THR 75 Cb 1.22 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 2jql h THR 75 CO 0.84 0.30 0.00 0.49 0.37 0.00 0.00 175.52 177.52 2jql n PHE 76 N -4.28 0.98 0.00 3.16 3.01 -1.26 -4.33 117.46 114.74 2jql n PHE 76 Ca 0.04 -0.62 0.00 0.00 1.01 0.00 0.00 57.45 57.88 2jql n PHE 76 Cb 0.22 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 2jql n PHE 76 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2jql n HIS 77 N 0.61 0.00 -3.69 1.38 -0.00 -0.95 -4.66 115.22 107.92 2jql n HIS 77 Ca 0.20 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.28 2jql n HIS 77 Cb 0.71 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.55 2jql n HIS 77 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jql s ALA 78 N -2.98 -1.07 -0.05 1.57 0.00 -1.17 -3.90 121.76 114.16 2jql s ALA 78 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 51.96 51.90 2jql s ALA 78 Cb 0.00 0.85 -0.00 0.00 0.00 0.00 0.00 23.12 23.97 2jql s ALA 78 CO 0.00 -0.81 -0.16 -1.21 0.00 0.00 0.00 175.76 173.58 2jql s GLU 79 N -3.85 1.75 -0.14 0.00 2.02 -0.67 -0.98 118.70 116.83 2jql s GLU 79 Ca 0.08 -0.58 0.02 0.00 0.02 0.00 0.00 54.97 54.51 2jql s GLU 79 Cb -0.01 -1.51 0.01 0.00 0.10 0.00 0.00 34.13 32.71 2jql s GLU 79 CO -0.04 0.22 -0.21 -0.06 0.02 0.00 0.00 175.26 175.18 2jql s PHE 80 N 0.10 2.68 -0.33 1.61 0.08 0.11 -1.75 117.98 120.49 2jql s PHE 80 Ca -0.05 -1.29 -0.17 0.00 0.12 0.00 0.00 56.93 55.54 2jql s PHE 80 Cb -0.12 -1.82 -0.01 0.00 -0.57 0.00 0.00 43.02 40.50 2jql s PHE 80 CO 0.02 -0.59 0.45 -1.01 -0.10 0.00 0.00 175.22 174.00 2jql s HIS 81 N 0.80 3.21 -0.37 0.36 3.76 -0.90 0.19 115.29 122.34 2jql s HIS 81 Ca -0.07 0.20 -0.09 0.00 -0.15 0.00 0.00 55.06 54.94 2jql s HIS 81 Cb -0.16 -2.78 0.04 0.00 1.11 0.00 0.00 32.58 30.79 2jql s HIS 81 CO -0.01 -0.44 0.17 -1.17 -0.85 0.00 0.00 174.74 172.44 2jql s LEU 82 N 2.23 4.62 -0.02 0.89 0.20 -0.66 -2.13 118.68 123.81 2jql s LEU 82 Ca 0.16 -1.12 0.07 0.00 0.69 0.00 0.00 54.13 53.94 2jql s LEU 82 Cb -0.16 -1.96 -0.02 0.00 -0.43 0.00 0.00 46.19 43.62 2jql s LEU 82 CO 0.12 -0.38 -0.23 -0.22 -0.29 0.00 0.00 176.35 175.35 2jql s LEU 83 N 1.48 2.05 -0.24 -0.68 0.20 -1.17 -2.00 118.68 118.33 2jql s LEU 83 Ca 0.01 -0.42 -0.11 0.00 0.69 0.00 0.00 54.13 54.30 2jql s LEU 83 Cb -0.20 -1.19 -0.05 0.00 -0.43 0.00 0.00 46.19 44.33 2jql s LEU 83 CO 0.05 0.28 0.17 -1.10 -0.29 0.00 0.00 176.35 175.46 2jql s GLN 84 N -0.57 4.07 -0.05 1.98 -0.21 -1.26 -2.87 119.66 120.76 2jql s GLN 84 Ca 0.09 -0.25 -0.02 0.00 0.02 0.00 0.00 55.36 55.21 2jql s GLN 84 Cb -0.09 -3.54 0.03 0.00 1.00 0.00 0.00 33.01 30.41 2jql s GLN 84 CO -0.01 0.05 0.03 -1.64 -2.12 0.00 0.00 175.29 171.61 2jql s MET 85 N 1.08 0.20 -0.21 2.91 -1.94 -0.30 -5.03 119.30 116.00 2jql s MET 85 Ca 0.08 0.26 -0.06 0.00 -1.71 0.00 0.00 55.69 54.26 2jql s MET 85 Cb -0.14 -0.68 -0.03 0.00 2.01 0.00 0.00 34.83 36.00 2jql s MET 85 CO 0.05 -0.31 0.03 0.16 -0.01 0.00 0.00 175.02 174.94 2jql s ASP 86 N 2.02 5.04 -0.02 3.03 -4.77 -1.26 -0.21 116.67 120.50 2jql s ASP 86 Ca 0.04 -0.16 0.06 0.00 -3.30 0.00 0.00 52.55 49.19 2jql s ASP 86 Cb -0.12 -1.87 -0.01 0.00 -1.09 0.00 0.00 42.92 39.82 2jql s ASP 86 CO -0.04 0.05 -0.20 0.68 0.70 0.00 0.00 175.17 176.36 2jql s VAL 87 N 1.07 1.63 0.00 2.11 -7.23 -1.12 -4.84 120.40 112.02 2jql s VAL 87 Ca 0.03 -0.87 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 2jql s VAL 87 Cb -0.14 -1.36 0.00 0.00 0.56 0.00 0.00 36.38 35.44 2jql s VAL 87 CO 0.02 0.46 0.00 -0.67 -0.31 0.00 0.00 175.10 174.60 2jql n ASP 88 N 2.67 0.00 0.00 4.85 2.03 -1.26 -3.31 116.55 121.53 2jql n ASP 88 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2jql n ASP 88 Cb 0.53 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 2jql n ASP 88 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2jql n ASN 89 N 2.85 0.00 -4.74 1.67 2.85 -1.26 -5.13 115.26 111.49 2jql n ASN 89 Ca 0.00 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 54.07 2jql n ASN 89 Cb 0.00 0.05 -0.05 0.00 1.24 0.00 0.00 39.78 41.02 2jql n ASN 89 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2jql s PHE 90 N -1.39 3.90 -0.08 1.20 0.08 -1.21 -5.02 117.98 115.46 2jql s PHE 90 Ca 0.00 1.86 -0.27 0.00 0.12 0.00 0.00 56.93 58.64 2jql s PHE 90 Cb 0.00 -3.03 -0.03 0.00 -0.57 0.00 0.00 43.02 39.40 2jql s PHE 90 CO 0.00 0.30 0.87 -0.65 -0.10 0.00 0.00 175.22 175.63 2jql s GLN 91 N -0.76 4.44 -0.04 0.44 -0.21 -1.26 -2.79 119.66 119.47 2jql s GLN 91 Ca 0.43 1.16 0.05 0.00 0.02 0.00 0.00 55.36 57.03 2jql s GLN 91 Cb -0.25 -3.50 -0.02 0.00 1.00 0.00 0.00 33.01 30.24 2jql s GLN 91 CO 0.32 -0.13 -0.20 1.03 -2.12 0.00 0.00 175.29 174.19 2jql s ARG 92 N 1.39 2.42 -0.12 2.91 1.81 0.71 -4.94 118.95 123.13 2jql s ARG 92 Ca 0.44 -0.81 0.00 0.00 -1.72 0.00 0.00 55.73 53.64 2jql s ARG 92 Cb -0.19 -2.24 -0.02 0.00 -0.45 0.00 0.00 34.95 32.06 2jql s ARG 92 CO 0.20 0.54 -0.13 -0.80 -0.68 0.00 0.00 175.30 174.42 2jql s ASN 93 N -0.54 4.02 -0.05 0.23 0.01 -1.26 -1.15 114.94 116.21 2jql s ASN 93 Ca 0.07 -0.31 0.05 0.00 -0.71 0.00 0.00 52.86 51.97 2jql s ASN 93 Cb -0.11 -1.51 -0.02 0.00 0.41 0.00 0.00 41.25 40.02 2jql s ASN 93 CO 0.01 0.19 -0.21 -0.76 -1.51 0.00 0.00 177.10 174.82 2jql s LEU 94 N 0.19 2.34 -0.01 0.60 1.02 -1.14 -4.90 118.68 116.79 2jql s LEU 94 Ca -0.08 -0.37 0.06 0.00 0.02 0.00 0.00 54.13 53.76 2jql s LEU 94 Cb -0.15 -1.44 -0.03 0.00 0.02 0.00 0.00 46.19 44.59 2jql s LEU 94 CO 0.05 0.30 -0.20 -0.63 0.02 0.00 0.00 176.35 175.88 2jql s ILE 95 N -0.46 2.55 -0.11 -0.59 1.09 -1.13 -3.04 121.20 119.51 2jql s ILE 95 Ca 0.05 -1.01 0.01 0.00 -1.10 0.00 0.00 60.65 58.60 2jql s ILE 95 Cb -0.12 -1.97 -0.02 0.00 -1.06 0.00 0.00 42.46 39.29 2jql s ILE 95 CO 0.01 0.52 -0.13 0.21 -0.10 0.00 0.00 174.94 175.46 2jql s ASN 96 N -0.86 4.07 -0.18 3.58 2.47 -0.91 0.90 114.94 124.02 2jql s ASN 96 Ca 0.12 -0.28 -0.14 0.00 0.42 0.00 0.00 52.86 52.98 2jql s ASN 96 Cb -0.10 -1.42 -0.04 0.00 -1.45 0.00 0.00 41.25 38.23 2jql s ASN 96 CO 0.01 0.22 0.32 -0.69 -3.72 0.00 0.00 177.10 173.23 2jql s VAL 97 N 0.05 5.28 -0.10 -5.21 1.01 0.17 -2.12 120.40 119.48 2jql s VAL 97 Ca -0.05 0.57 -0.00 0.00 0.00 0.00 0.00 61.98 62.50 2jql s VAL 97 Cb -0.14 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.61 2jql s VAL 97 CO 0.04 0.34 -0.07 -0.63 0.00 0.00 0.00 175.10 174.78 2jql s ILE 98 N 0.76 0.96 -0.09 2.22 1.01 -0.72 -2.92 121.20 122.42 2jql s ILE 98 Ca 0.17 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.58 2jql s ILE 98 Cb -0.14 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 2jql s ILE 98 CO 0.05 0.35 -0.17 -1.81 0.00 0.00 0.00 174.94 173.37 2jql s ASP 99 N 1.64 3.72 -0.11 3.58 1.11 -1.26 -1.68 116.67 123.68 2jql s ASP 99 Ca 0.03 -0.36 0.13 0.00 0.18 0.00 0.00 52.55 52.53 2jql s ASP 99 Cb -0.13 -1.27 0.28 0.00 1.07 0.00 0.00 42.92 42.87 2jql s ASP 99 CO -0.07 0.22 1.17 2.29 1.18 0.00 0.00 175.17 179.97 2jql n LYS 100 N 3.14 0.54 -4.50 8.23 2.85 -1.26 -5.05 118.16 122.11 2jql n LYS 100 Ca -0.18 -1.70 -0.28 0.00 -1.05 0.00 0.00 58.31 55.10 2jql n LYS 100 Cb 0.52 0.03 -0.10 0.00 -0.65 0.00 0.00 35.03 34.83 2jql n LYS 100 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2jql s SER 101 N -1.73 4.04 -0.31 -5.58 0.01 -1.25 -4.95 113.70 103.92 2jql s SER 101 Ca 0.15 -1.32 0.08 0.00 1.31 0.00 0.00 55.95 56.18 2jql s SER 101 Cb 0.25 -0.35 0.49 0.00 0.21 0.00 0.00 66.02 66.62 2jql s SER 101 CO -0.08 -0.51 1.43 0.54 0.41 0.00 0.00 173.24 175.04 2jql n ARG 102 N -1.06 2.09 -0.13 12.44 3.00 -1.26 -4.60 116.66 127.14 2jql n ARG 102 Ca -0.05 -3.35 -0.18 0.00 -0.01 0.00 0.00 57.85 54.25 2jql n ARG 102 Cb 0.66 -1.89 -0.12 0.00 0.00 0.00 0.00 32.46 31.12 2jql n ARG 102 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2jql n ASN 103 N -1.06 2.02 0.00 0.55 4.13 -1.26 -5.10 115.26 114.54 2jql n ASN 103 Ca 0.35 -0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.50 2jql n ASN 103 Cb 0.97 -0.43 0.00 0.00 -1.54 0.00 0.00 39.78 38.78 2jql n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jql n GLY 104 N 2.23 1.87 3.35 7.41 0.00 -1.26 -4.85 105.19 113.93 2jql n GLY 104 Ca -0.45 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 2jql n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jql s THR 105 N 0.00 3.22 -0.15 2.61 2.01 -1.26 -2.78 115.64 119.29 2jql s THR 105 Ca 0.00 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.44 2jql s THR 105 Cb 0.00 -2.40 0.01 0.00 0.01 0.00 0.00 72.50 70.12 2jql s THR 105 CO 0.00 0.48 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.84 2jql s PHE 106 N 0.83 2.67 -0.04 4.92 0.08 -0.43 -3.99 117.98 122.03 2jql s PHE 106 Ca -0.03 -1.42 0.06 0.00 0.12 0.00 0.00 56.93 55.66 2jql s PHE 106 Cb -0.15 -1.83 -0.01 0.00 -0.57 0.00 0.00 43.02 40.46 2jql s PHE 106 CO 0.01 -0.67 -0.22 -1.50 -0.10 0.00 0.00 175.22 172.74 2jql s ILE 107 N 0.97 1.80 -1.86 0.64 1.10 -0.92 -1.11 121.20 121.82 2jql s ILE 107 Ca -0.03 -0.95 0.00 0.00 -0.51 0.00 0.00 60.65 59.16 2jql s ILE 107 Cb -0.15 -1.52 0.00 0.00 0.15 0.00 0.00 42.46 40.95 2jql s ILE 107 CO -0.05 0.51 0.00 0.59 -2.11 0.00 0.00 174.94 173.87 2jql n ASN 108 N 2.82 -5.85 -0.12 4.50 5.03 -1.07 -0.98 115.26 119.58 2jql n ASN 108 Ca -0.17 0.07 -0.02 0.00 0.87 0.00 0.00 54.58 55.34 2jql n ASN 108 Cb 0.52 -4.92 -0.01 0.00 -1.02 0.00 0.00 39.78 34.36 2jql n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jql n GLY 109 N -0.91 0.43 2.97 7.41 0.00 -1.26 -4.99 105.19 108.83 2jql n GLY 109 Ca -0.24 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 2jql n GLY 109 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jql s ASN 110 N -2.16 0.92 0.39 1.61 0.01 -0.16 -5.13 114.94 110.42 2jql s ASN 110 Ca 0.00 -0.14 -0.26 0.00 -0.71 0.00 0.00 52.86 51.75 2jql s ASN 110 Cb 0.00 -0.21 -0.09 0.00 0.41 0.00 0.00 41.25 41.36 2jql s ASN 110 CO 0.00 0.05 1.27 0.00 -1.51 0.00 0.00 177.10 176.92 2jql s ARG 111 N 0.15 4.06 0.31 -0.60 1.70 -1.26 -2.17 118.95 121.14 2jql s ARG 111 Ca -0.02 2.10 -0.28 0.00 -0.47 0.00 0.00 55.73 57.07 2jql s ARG 111 Cb -0.07 -2.80 -0.09 0.00 -0.57 0.00 0.00 34.95 31.42 2jql s ARG 111 CO -0.00 -0.40 1.02 -0.51 -1.08 0.00 0.00 175.30 174.33 2jql s LEU 112 N -2.31 4.44 -0.07 -1.89 1.02 -1.26 -4.93 118.68 113.67 2jql s LEU 112 Ca 0.55 2.06 0.23 0.00 0.02 0.00 0.00 54.13 56.99 2jql s LEU 112 Cb -0.37 -3.83 0.44 0.00 0.02 0.00 0.00 46.19 42.45 2jql s LEU 112 CO 0.48 -0.14 1.17 1.33 0.02 0.00 0.00 176.35 179.21 2jql n VAL 113 N 0.84 0.57 -4.16 -1.59 0.24 -1.26 -5.09 118.33 107.88 2jql n VAL 113 Ca 0.01 -1.68 -0.16 0.00 -2.04 0.00 0.00 64.34 60.46 2jql n VAL 113 Cb 0.47 0.80 -0.06 0.00 -1.47 0.00 0.00 33.84 33.59 2jql n VAL 113 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2jql s LYS 114 N -1.10 1.86 -0.16 7.34 2.20 -1.26 -5.09 119.74 123.53 2jql s LYS 114 Ca 0.34 -1.86 -0.03 0.00 -0.36 0.00 0.00 55.97 54.06 2jql s LYS 114 Cb 0.38 0.40 -0.09 0.00 -1.51 0.00 0.00 37.83 37.01 2jql s LYS 114 CO -0.13 -0.74 -0.17 1.17 -0.36 0.00 0.00 175.35 175.12 2jql n LYS 115 N -0.59 0.36 -3.22 4.03 3.00 -1.26 -4.78 118.16 115.70 2jql n LYS 115 Ca 0.03 0.12 -0.41 0.00 -0.00 0.00 0.00 58.31 58.05 2jql n LYS 115 Cb 0.62 -1.20 -0.01 0.00 0.00 0.00 0.00 35.03 34.44 2jql n LYS 115 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2jql n ASP 116 N -3.30 5.64 -4.77 3.14 8.00 -1.26 -4.47 116.55 119.52 2jql n ASP 116 Ca -0.29 -3.27 -0.39 0.00 0.71 0.00 0.00 54.79 51.54 2jql n ASP 116 Cb 0.76 -1.22 -0.06 0.00 -0.02 0.00 0.00 41.12 40.58 2jql n ASP 116 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2jql s TYR 117 N -2.14 3.89 -0.29 1.24 6.14 -1.15 -4.91 117.35 120.13 2jql s TYR 117 Ca 0.31 1.62 -0.13 0.00 0.64 0.00 0.00 57.07 59.52 2jql s TYR 117 Cb -0.00 -2.78 -0.04 0.00 0.42 0.00 0.00 41.96 39.56 2jql s TYR 117 CO 0.01 0.48 0.26 -1.50 0.64 0.00 0.00 175.55 175.44 2jql s ILE 118 N -1.00 5.26 -0.13 3.14 1.10 -1.26 0.46 121.20 128.76 2jql s ILE 118 Ca 0.36 0.24 -0.06 0.00 -0.51 0.00 0.00 60.65 60.68 2jql s ILE 118 Cb -0.23 -3.62 -0.04 0.00 0.15 0.00 0.00 42.46 38.72 2jql s ILE 118 CO 0.26 0.17 0.08 -0.22 -2.11 0.00 0.00 174.94 173.12 2jql s LEU 119 N 1.87 3.97 -0.13 8.50 0.20 0.26 -4.92 118.68 128.42 2jql s LEU 119 Ca 0.10 0.24 0.02 0.00 0.69 0.00 0.00 54.13 55.18 2jql s LEU 119 Cb -0.16 -1.97 0.00 0.00 -0.43 0.00 0.00 46.19 43.64 2jql s LEU 119 CO 0.11 0.31 -0.21 -0.54 -0.29 0.00 0.00 176.35 175.73 2jql s LYS 120 N -0.46 3.07 0.53 1.98 -0.14 -1.26 -2.84 119.74 120.61 2jql s LYS 120 Ca 0.10 -0.84 -0.20 0.00 -1.36 0.00 0.00 55.97 53.67 2jql s LYS 120 Cb -0.12 -2.43 -0.09 0.00 -1.68 0.00 0.00 37.83 33.51 2jql s LYS 120 CO 0.02 0.05 0.73 0.09 -0.76 0.00 0.00 175.35 175.48 2jql n ASN 121 N 3.91 -0.12 -0.19 2.83 4.13 -1.26 -4.00 115.26 120.55 2jql n ASN 121 Ca -0.20 0.84 0.00 0.00 1.68 0.00 0.00 54.58 56.90 2jql n ASN 121 Cb 0.52 -1.25 0.00 0.00 -1.54 0.00 0.00 39.78 37.51 2jql n ASN 121 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jql n GLY 122 N 1.54 0.94 3.17 7.41 0.00 0.97 -4.89 105.19 114.34 2jql n GLY 122 Ca 0.12 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 2jql n GLY 122 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jql s ASP 123 N -2.28 0.29 -0.23 1.61 1.01 -1.13 -4.97 116.67 110.98 2jql s ASP 123 Ca 0.00 -0.98 -0.15 0.00 0.71 0.00 0.00 52.55 52.13 2jql s ASP 123 Cb 0.00 0.29 -0.04 0.00 1.01 0.00 0.00 42.92 44.18 2jql s ASP 123 CO 0.00 -0.71 0.38 -0.13 0.21 0.00 0.00 175.17 174.92 2jql s ARG 124 N -3.96 4.10 -0.19 8.23 1.81 -1.26 -2.06 118.95 125.63 2jql s ARG 124 Ca 0.13 0.12 -0.02 0.00 -1.72 0.00 0.00 55.73 54.25 2jql s ARG 124 Cb 0.07 -3.59 -0.00 0.00 -0.45 0.00 0.00 34.95 30.98 2jql s ARG 124 CO -0.05 -0.14 -0.11 0.42 -0.68 0.00 0.00 175.30 174.75 2jql s ILE 125 N 1.63 2.90 -0.20 1.52 1.01 0.33 -2.59 121.20 125.79 2jql s ILE 125 Ca 0.17 -0.66 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 2jql s ILE 125 Cb -0.15 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 2jql s ILE 125 CO 0.08 0.48 -0.01 -0.69 0.00 0.00 0.00 174.94 174.80 2jql s VAL 126 N 1.21 3.79 0.07 2.92 1.01 -0.27 -1.74 120.40 127.39 2jql s VAL 126 Ca 0.02 -0.37 0.09 0.00 0.00 0.00 0.00 61.98 61.72 2jql s VAL 126 Cb -0.14 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 2jql s VAL 126 CO -0.04 0.43 -0.24 -0.36 0.00 0.00 0.00 175.10 174.89 2jql s PHE 127 N 1.06 2.08 0.00 5.22 0.08 0.66 -1.31 117.98 125.77 2jql s PHE 127 Ca 0.02 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.67 2jql s PHE 127 Cb -0.14 -1.21 0.00 0.00 -0.57 0.00 0.00 43.02 41.10 2jql s PHE 127 CO 0.01 0.17 0.00 0.41 -0.10 0.00 0.00 175.22 175.71 2jql n GLY 128 N 1.54 1.95 0.00 4.36 0.00 -1.12 -2.81 105.19 109.11 2jql n GLY 128 Ca -0.18 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2jql n GLY 128 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jql n LYS 129 N 0.00 0.00 -0.00 1.61 5.02 -1.26 -4.51 118.16 119.01 2jql n LYS 129 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2jql n LYS 129 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2jql n LYS 129 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2jql n SER 130 N 0.00 4.44 -4.52 4.39 3.41 -1.25 -4.99 113.62 115.11 2jql n SER 130 Ca 0.00 -0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 2jql n SER 130 Cb 0.00 0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 64.14 2jql n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jql s SER 132 N 9.62 2.48 0.04 0.00 0.01 -1.26 -0.25 113.70 124.35 2jql s SER 132 Ca 1.08 -0.44 -0.03 0.00 1.31 0.00 0.00 55.95 57.86 2jql s SER 132 Cb -0.56 -1.13 -0.02 0.00 0.21 0.00 0.00 66.02 64.52 2jql s SER 132 CO 0.38 0.05 0.04 0.72 0.41 0.00 0.00 173.24 174.85 2jql s PHE 133 N 0.77 0.29 -0.24 2.43 -0.71 -0.71 -0.70 117.98 119.11 2jql s PHE 133 Ca -0.11 -0.66 -0.06 0.00 -1.04 0.00 0.00 56.93 55.06 2jql s PHE 133 Cb -0.16 -0.21 -0.02 0.00 -1.21 0.00 0.00 43.02 41.42 2jql s PHE 133 CO 0.02 -0.35 0.02 -1.17 -1.34 0.00 0.00 175.22 172.40 2jql s LEU 134 N -2.25 3.21 0.06 -1.99 1.98 0.25 -0.51 118.68 119.42 2jql s LEU 134 Ca -0.03 -0.34 -0.16 0.00 -2.89 0.00 0.00 54.13 50.71 2jql s LEU 134 Cb -0.00 -1.83 -0.06 0.00 0.66 0.00 0.00 46.19 44.96 2jql s LEU 134 CO -0.06 -0.04 0.48 0.12 -1.89 0.00 0.00 176.35 174.96 2jql s PHE 135 N 1.54 3.72 0.02 5.38 5.36 -0.87 -2.18 117.98 130.94 2jql s PHE 135 Ca 0.06 1.07 -0.22 0.00 -0.96 0.00 0.00 56.93 56.88 2jql s PHE 135 Cb -0.15 -2.35 0.05 0.00 -0.34 0.00 0.00 43.02 40.23 2jql s PHE 135 CO 0.00 0.58 0.49 0.21 -1.46 0.00 0.00 175.22 175.03 2jql s LYS 136 N -1.34 0.95 0.33 10.12 2.20 -1.15 0.32 119.74 131.18 2jql s LYS 136 Ca 0.29 -0.18 -0.28 0.00 -0.36 0.00 0.00 55.97 55.44 2jql s LYS 136 Cb -0.17 0.43 -0.10 0.00 -1.51 0.00 0.00 37.83 36.49 2jql s LYS 136 CO 0.17 -0.32 1.18 0.71 -0.36 0.00 0.00 175.35 176.73 2jql s TYR 137 N -2.07 3.28 0.37 4.03 2.02 -1.26 -2.33 117.35 121.38 2jql s TYR 137 Ca -0.08 1.57 -0.23 0.00 -0.37 0.00 0.00 57.07 57.97 2jql s TYR 137 Cb -0.01 -3.44 -0.10 0.00 -0.40 0.00 0.00 41.96 38.00 2jql s TYR 137 CO 0.01 -1.16 0.93 0.00 -1.57 0.00 0.00 175.55 173.76 2jql s ALA 138 N -1.22 3.14 -0.12 3.71 0.00 0.29 -4.82 121.76 122.74 2jql s ALA 138 Ca 0.49 0.43 0.19 0.00 0.00 0.00 0.00 51.96 53.07 2jql s ALA 138 Cb -0.34 -3.13 -0.23 0.00 0.00 0.00 0.00 23.12 19.41 2jql s ALA 138 CO 0.44 0.17 0.48 0.45 0.00 0.00 0.00 175.76 177.30 2jql n SER 139 N -0.03 0.30 -2.21 0.00 2.88 -1.26 -4.83 113.62 108.48 2jql n SER 139 Ca 0.04 0.13 -0.02 0.00 -1.33 0.00 0.00 58.87 57.69 2jql n SER 139 Cb 0.52 1.05 -0.02 0.00 -0.75 0.00 0.00 64.21 65.01 2jql n SER 139 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2jql n SER 140 N -2.63 -5.16 -3.59 -3.46 7.64 -1.26 -5.05 113.62 100.11 2jql n SER 140 Ca -0.15 1.35 -0.26 0.00 1.01 0.00 0.00 58.87 60.82 2jql n SER 140 Cb 0.84 -4.43 -0.16 0.00 -1.01 0.00 0.00 64.21 59.44 2jql n SER 140 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2jql s SER 141 N -0.51 2.51 -0.12 6.43 0.15 -1.26 -5.03 113.70 115.88 2jql s SER 141 Ca -0.09 -0.72 -0.10 0.00 0.70 0.00 0.00 55.95 55.74 2jql s SER 141 Cb 0.01 -0.22 -0.09 0.00 -1.71 0.00 0.00 66.02 64.01 2jql s SER 141 CO 0.25 -0.37 0.23 0.28 1.20 0.00 0.00 173.24 174.84 2jql h SER 142 N 8.41 0.00 -2.67 5.45 0.02 -2.08 -3.47 113.55 119.20 2jql h SER 142 Ca -0.16 -0.32 -0.03 0.00 -0.84 0.00 0.00 61.79 60.44 2jql h SER 142 Cb 1.12 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.42 2jql h SER 142 CO 0.32 0.70 -0.20 -0.89 -1.14 0.00 0.00 176.83 175.62 2jql s THR 143 N -1.82 -0.43 -0.15 -2.27 2.01 -1.26 -5.14 115.64 106.57 2jql s THR 143 Ca -0.08 0.07 -0.05 0.00 0.31 0.00 0.00 61.69 61.95 2jql s THR 143 Cb -0.01 -0.81 0.07 0.00 0.01 0.00 0.00 72.50 71.76 2jql s THR 143 CO 0.24 0.03 0.27 -1.81 -0.69 0.00 0.00 174.62 172.66 2jql s ASP 144 N 2.16 0.49 0.00 3.53 1.11 -1.26 -5.14 116.67 117.56 2jql s ASP 144 Ca -0.07 0.46 0.00 0.00 0.18 0.00 0.00 52.55 53.12 2jql s ASP 144 Cb -0.09 0.69 0.00 0.00 1.07 0.00 0.00 42.92 44.59 2jql s ASP 144 CO -0.16 -0.26 0.00 0.00 1.18 0.00 0.00 175.17 175.93 2jql n ILE 145 N 5.35 0.00 0.11 0.77 0.13 -1.26 -5.12 119.36 119.35 2jql n ILE 145 Ca -0.06 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.59 2jql n ILE 145 Cb 0.50 -0.01 0.00 0.00 -0.84 0.00 0.00 39.64 39.29 2jql n ILE 145 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 2jql n GLU 146 N 0.00 0.00 -4.70 9.51 2.13 -1.26 -5.10 120.64 121.22 2jql n GLU 146 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 2jql n GLU 146 Cb 0.00 -0.06 -0.12 0.00 0.27 0.00 0.00 31.44 31.53 2jql n GLU 146 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2jql s ASN 147 N -5.10 4.40 -0.11 4.31 2.20 -1.26 -5.12 114.94 114.26 2jql s ASN 147 Ca 0.00 -0.12 0.02 0.00 -0.94 0.00 0.00 52.86 51.82 2jql s ASN 147 Cb 0.00 -1.19 -0.01 0.00 -2.00 0.00 0.00 41.25 38.05 2jql s ASN 147 CO 0.00 0.31 -0.18 -1.81 -2.94 0.00 0.00 177.10 172.48 2jql s ASP 148 N -0.53 3.59 -0.12 3.54 1.11 -1.26 -5.11 116.67 117.89 2jql s ASP 148 Ca 0.08 -0.43 -0.05 0.00 0.18 0.00 0.00 52.55 52.32 2jql s ASP 148 Cb -0.12 -1.46 0.05 0.00 1.07 0.00 0.00 42.92 42.46 2jql s ASP 148 CO 0.02 0.17 0.27 1.51 1.18 0.00 0.00 175.17 178.32 2jql s ASP 149 N 0.28 -0.05 -0.42 0.27 -4.77 -1.26 -5.08 116.67 105.64 2jql s ASP 149 Ca -0.13 0.59 0.07 0.00 -3.30 0.00 0.00 52.55 49.78 2jql s ASP 149 Cb -0.16 0.56 0.23 0.00 -1.09 0.00 0.00 42.92 42.46 2jql s ASP 149 CO 0.07 -0.20 0.57 -0.62 0.70 0.00 0.00 175.17 175.69 2jql n GLU 150 N 4.68 0.64 -1.53 2.11 1.02 -1.26 -4.90 120.64 121.40 2jql n GLU 150 Ca -0.18 -2.89 -0.02 0.00 -0.02 0.00 0.00 57.16 54.05 2jql n GLU 150 Cb 0.52 -1.34 0.02 0.00 -0.02 0.00 0.00 31.44 30.62 2jql n GLU 150 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2jql n LYS 151 N 1.73 0.42 -0.04 3.49 5.02 -1.26 -4.98 118.16 122.55 2jql n LYS 151 Ca 0.20 -0.64 -0.09 0.00 -2.02 0.00 0.00 58.31 55.76 2jql n LYS 151 Cb 0.54 0.36 -0.14 0.00 -0.02 0.00 0.00 35.03 35.77 2jql n LYS 151 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2jql n VAL 152 N -0.48 1.58 -2.94 -0.18 3.14 -1.26 -4.93 118.33 113.26 2jql n VAL 152 Ca -0.13 -0.80 -0.29 0.00 -2.96 0.00 0.00 64.34 60.16 2jql n VAL 152 Cb 0.62 -0.96 -0.02 0.00 -1.06 0.00 0.00 33.84 32.41 2jql n VAL 152 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2jql s SER 153 N -6.02 6.42 -0.34 6.55 0.15 -1.26 -4.71 113.70 114.49 2jql s SER 153 Ca -0.06 0.94 -0.05 0.00 0.70 0.00 0.00 55.95 57.48 2jql s SER 153 Cb 0.08 -2.24 0.19 0.00 -1.71 0.00 0.00 66.02 62.33 2jql s SER 153 CO 0.82 -0.39 0.95 -0.55 1.20 0.00 0.00 173.24 175.27 2jql s SER 154 N -3.45 -0.60 0.00 5.45 0.15 -1.26 -5.04 113.70 108.95 2jql s SER 154 Ca 0.48 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2jql s SER 154 Cb -0.10 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 2jql s SER 154 CO 0.35 -0.07 0.00 1.21 1.20 0.00 0.00 173.24 175.93 2jql n GLU 155 N 3.86 0.00 -3.70 5.44 4.07 -1.26 -4.56 120.64 124.48 2jql n GLU 155 Ca 0.07 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 57.03 2jql n GLU 155 Cb 0.62 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.91 2jql n GLU 155 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2jql s SER 156 N -2.44 -0.44 0.48 4.31 0.15 -1.26 -5.13 113.70 109.37 2jql s SER 156 Ca 0.00 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.36 2jql s SER 156 Cb 0.00 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 2jql s SER 156 CO 0.00 -0.28 0.00 0.54 1.20 0.00 0.00 173.24 174.70 2jql n ARG 157 N 2.24 -2.25 -3.60 5.44 5.12 -1.26 -4.90 116.66 117.45 2jql n ARG 157 Ca -0.16 1.48 -0.20 0.00 -1.93 0.00 0.00 57.85 57.05 2jql n ARG 157 Cb 0.57 -2.75 -0.02 0.00 -1.16 0.00 0.00 32.46 29.10 2jql n ARG 157 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2jql s SER 158 N -6.43 5.57 0.00 0.55 1.04 -1.26 -4.29 113.70 108.88 2jql s SER 158 Ca 0.00 -0.39 0.06 0.00 0.48 0.00 0.00 55.95 56.10 2jql s SER 158 Cb 0.00 -1.02 0.35 0.00 0.10 0.00 0.00 66.02 65.45 2jql s SER 158 CO 0.00 -0.44 0.82 -1.22 0.98 0.00 0.00 173.24 173.38