#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jql n ARG 20 N 0.00 -1.77 0.00 1.97 1.74 -1.26 -4.72 116.66 112.61 2jql n ARG 20 Ca 0.00 0.93 0.00 0.00 -0.77 0.00 0.00 57.85 58.01 2jql n ARG 20 Cb 0.00 -5.51 0.00 0.00 -1.02 0.00 0.00 32.46 25.93 2jql n ARG 20 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jql n GLN 21 N -2.92 0.00 -3.63 5.56 10.64 -1.26 -5.14 117.38 120.63 2jql n GLN 21 Ca -0.22 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 54.80 2jql n GLN 21 Cb 0.67 -0.19 -0.07 0.00 -0.86 0.00 0.00 30.24 29.79 2jql n GLN 21 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 2jql s GLN 22 N -1.37 0.84 0.35 2.61 0.74 -1.26 -5.18 119.66 116.38 2jql s GLN 22 Ca 0.00 0.46 0.01 0.00 0.05 0.00 0.00 55.36 55.88 2jql s GLN 22 Cb 0.00 0.40 0.01 0.00 1.10 0.00 0.00 33.01 34.51 2jql s GLN 22 CO 0.00 -0.19 0.07 2.89 -0.55 0.00 0.00 175.29 177.51 2jql n ARG 23 N 1.82 1.11 -3.48 1.67 1.85 -1.26 -4.69 116.66 113.68 2jql n ARG 23 Ca -0.17 -2.47 -0.25 0.00 -1.00 0.00 0.00 57.85 53.96 2jql n ARG 23 Cb 0.56 0.57 -0.13 0.00 -1.05 0.00 0.00 32.46 32.41 2jql n ARG 23 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2jql s SER 24 N -2.97 2.79 -0.12 2.89 0.15 -1.26 -5.12 113.70 110.06 2jql s SER 24 Ca 0.05 -1.34 -0.07 0.00 0.70 0.00 0.00 55.95 55.29 2jql s SER 24 Cb -0.00 -0.07 0.05 0.00 -1.71 0.00 0.00 66.02 64.28 2jql s SER 24 CO 0.03 -0.39 0.30 0.21 1.20 0.00 0.00 173.24 174.59 2jql s ASN 25 N 1.93 -0.34 -0.45 5.45 2.47 -1.26 -5.12 114.94 117.62 2jql s ASN 25 Ca 0.11 0.64 0.01 0.00 0.42 0.00 0.00 52.86 54.04 2jql s ASN 25 Cb -0.17 0.54 0.12 0.00 -1.45 0.00 0.00 41.25 40.30 2jql s ASN 25 CO -0.27 -0.16 0.21 -0.54 -3.72 0.00 0.00 177.10 172.62 2jql s LYS 26 N 1.12 1.92 0.39 0.43 1.02 -1.26 -5.10 119.74 118.27 2jql s LYS 26 Ca -0.08 -2.18 -0.27 0.00 0.02 0.00 0.00 55.97 53.46 2jql s LYS 26 Cb -0.08 -3.42 -0.11 0.00 -0.52 0.00 0.00 37.83 33.70 2jql s LYS 26 CO -0.08 -1.06 1.37 -2.30 -0.92 0.00 0.00 175.35 172.36 2jql n PRO 27 N 3.89 2.28 -1.05 -1.68 -0.02 -1.26 -4.82 135.00 132.33 2jql n PRO 27 Ca 0.04 0.80 -0.38 0.00 -2.02 0.00 0.00 63.50 61.94 2jql n PRO 27 Cb 0.38 -2.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.32 2jql n PRO 27 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2jql n SER 28 N 0.40 3.06 0.01 2.55 7.64 -1.26 -3.03 113.62 122.99 2jql n SER 28 Ca 0.04 -2.59 0.00 0.00 1.01 0.00 0.00 58.87 57.33 2jql n SER 28 Cb 0.39 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 2jql n SER 28 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2jql n SER 29 N 6.68 -0.17 -2.38 6.43 3.41 -1.26 -5.01 113.62 121.32 2jql n SER 29 Ca 0.48 0.22 -0.19 0.00 -0.26 0.00 0.00 58.87 59.12 2jql n SER 29 Cb 0.34 0.37 0.01 0.00 -0.26 0.00 0.00 64.21 64.66 2jql n SER 29 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jql n GLU 30 N -2.45 -2.71 0.00 4.33 1.02 -1.17 -4.94 120.64 114.72 2jql n GLU 30 Ca 0.00 0.87 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 2jql n GLU 30 Cb 0.00 -5.47 0.00 0.00 -0.02 0.00 0.00 31.44 25.95 2jql n GLU 30 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2jql n TYR 31 N -4.17 0.00 -3.77 -0.32 4.01 -1.26 -5.15 117.16 106.50 2jql n TYR 31 Ca -0.17 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.42 2jql n TYR 31 Cb 0.64 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.52 2jql n TYR 31 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2jql s THR 32 N 3.31 -0.06 0.40 -0.72 2.01 -1.26 -5.03 115.64 114.29 2jql s THR 32 Ca 0.00 0.22 -0.27 0.00 0.31 0.00 0.00 61.69 61.95 2jql s THR 32 Cb 0.00 -0.09 -0.10 0.00 0.01 0.00 0.00 72.50 72.32 2jql s THR 32 CO 0.00 0.09 1.48 0.00 -0.69 0.00 0.00 174.62 175.50 2jql n LEU 34 N 0.23 0.12 0.00 0.00 7.94 -1.05 -4.91 117.00 119.33 2jql n LEU 34 Ca 0.02 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.88 2jql n LEU 34 Cb 0.40 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.36 2jql n LEU 34 CO 0.63 -0.24 0.26 0.61 -1.11 0.00 0.00 177.39 177.53 2jql n GLY 35 N 1.67 1.52 3.14 -3.96 0.00 -1.17 0.82 105.19 107.21 2jql n GLY 35 Ca 0.00 -1.14 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 2jql n GLY 35 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jql s HIS 36 N -5.65 0.35 -0.24 1.61 3.76 -0.83 -0.44 115.29 113.85 2jql s HIS 36 Ca 0.08 -0.84 0.00 0.00 -0.15 0.00 0.00 55.06 54.15 2jql s HIS 36 Cb -0.02 -0.24 0.07 0.00 1.11 0.00 0.00 32.58 33.50 2jql s HIS 36 CO 0.06 -0.45 -0.02 -0.48 -0.85 0.00 0.00 174.74 173.00 2jql s LEU 37 N -2.87 2.47 -0.26 0.89 2.34 -0.18 -2.98 118.68 118.09 2jql s LEU 37 Ca 0.06 -1.24 -0.11 0.00 0.06 0.00 0.00 54.13 52.90 2jql s LEU 37 Cb 0.06 -1.09 -0.05 0.00 -0.56 0.00 0.00 46.19 44.56 2jql s LEU 37 CO -0.10 -0.27 0.19 -0.69 -1.06 0.00 0.00 176.35 174.41 2jql s VAL 38 N 1.45 5.32 -0.07 1.48 1.01 -0.91 -2.11 120.40 126.57 2jql s VAL 38 Ca -0.02 0.19 -0.20 0.00 0.00 0.00 0.00 61.98 61.95 2jql s VAL 38 Cb -0.18 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2jql s VAL 38 CO -0.09 0.28 0.55 0.20 0.00 0.00 0.00 175.10 176.04 2jql s ASN 39 N 1.50 6.82 -0.46 3.32 0.01 0.03 -0.83 114.94 125.33 2jql s ASN 39 Ca 0.08 0.98 -0.17 0.00 -0.71 0.00 0.00 52.86 53.04 2jql s ASN 39 Cb -0.15 -2.33 0.05 0.00 0.41 0.00 0.00 41.25 39.23 2jql s ASN 39 CO 0.09 0.02 0.44 -0.76 -1.51 0.00 0.00 177.10 175.38 2jql s LEU 40 N 0.38 5.25 -0.05 0.60 1.02 0.54 -2.79 118.68 123.63 2jql s LEU 40 Ca 0.29 -1.04 0.05 0.00 0.02 0.00 0.00 54.13 53.45 2jql s LEU 40 Cb -0.16 -2.28 -0.00 0.00 0.02 0.00 0.00 46.19 43.76 2jql s LEU 40 CO 0.14 -0.66 -0.20 -0.63 0.02 0.00 0.00 176.35 175.01 2jql s ILE 41 N 1.98 1.70 0.59 -0.59 -1.09 -0.35 -4.54 121.20 118.90 2jql s ILE 41 Ca 0.08 -0.86 0.29 0.00 -2.23 0.00 0.00 60.65 57.93 2jql s ILE 41 Cb -0.21 -1.45 0.38 0.00 -1.58 0.00 0.00 42.46 39.60 2jql s ILE 41 CO 0.10 0.48 1.84 -0.65 -1.23 0.00 0.00 174.94 175.48 2jql h PRO 42 N 6.26 0.00 0.00 2.79 0.11 -2.00 0.17 132.00 139.33 2jql h PRO 42 Ca -0.31 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.61 2jql h PRO 42 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2jql h PRO 42 CO 0.47 0.00 -1.27 0.78 -0.21 0.00 0.00 178.00 177.77 2jql h GLY 43 N 0.00 0.00 0.00 -0.55 0.00 -2.01 -3.50 103.07 97.01 2jql h GLY 43 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2jql h GLY 43 CO -0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 2jql n LYS 44 N -3.05 -0.96 -4.31 4.80 4.81 0.59 -5.18 118.16 114.86 2jql n LYS 44 Ca -0.08 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.19 2jql n LYS 44 Cb 0.89 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.83 2jql n LYS 44 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2jql s GLU 45 N -0.37 1.29 -0.18 1.64 2.02 -1.26 -1.22 118.70 120.62 2jql s GLU 45 Ca 0.00 -1.64 -0.05 0.00 0.02 0.00 0.00 54.97 53.30 2jql s GLU 45 Cb 0.00 -0.59 0.09 0.00 0.10 0.00 0.00 34.13 33.73 2jql s GLU 45 CO 0.00 -0.08 0.35 -0.65 0.02 0.00 0.00 175.26 174.90 2jql s GLN 46 N -3.85 0.26 -0.20 1.61 -0.21 -1.12 -4.96 119.66 111.18 2jql s GLN 46 Ca 0.27 0.83 -0.05 0.00 0.02 0.00 0.00 55.36 56.42 2jql s GLN 46 Cb 0.05 0.02 -0.03 0.00 1.00 0.00 0.00 33.01 34.06 2jql s GLN 46 CO 0.07 -0.34 0.01 0.21 -2.12 0.00 0.00 175.29 173.13 2jql s LYS 47 N 2.53 3.65 -0.04 2.91 2.20 -1.26 -0.79 119.74 128.93 2jql s LYS 47 Ca 0.02 -0.50 0.07 0.00 -0.36 0.00 0.00 55.97 55.19 2jql s LYS 47 Cb -0.13 -3.11 -0.01 0.00 -1.51 0.00 0.00 37.83 33.07 2jql s LYS 47 CO -0.12 0.01 -0.25 0.08 -0.36 0.00 0.00 175.35 174.72 2jql s VAL 48 N 1.01 2.00 0.15 4.02 1.01 -0.90 -4.95 120.40 122.75 2jql s VAL 48 Ca 0.02 -1.06 -0.28 0.00 0.00 0.00 0.00 61.98 60.66 2jql s VAL 48 Cb -0.14 -1.68 -0.07 0.00 0.00 0.00 0.00 36.38 34.49 2jql s VAL 48 CO 0.02 0.56 0.87 -0.70 0.00 0.00 0.00 175.10 175.85 2jql s GLU 49 N -0.37 4.67 -0.10 2.72 -6.30 -1.26 -1.01 118.70 117.05 2jql s GLU 49 Ca 0.03 1.31 0.02 0.00 -2.50 0.00 0.00 54.97 53.83 2jql s GLU 49 Cb -0.12 -3.31 -0.01 0.00 0.00 0.00 0.00 34.13 30.69 2jql s GLU 49 CO 0.01 0.42 -0.17 -1.50 0.02 0.00 0.00 175.26 174.04 2jql s ILE 50 N -0.67 2.73 0.39 -3.70 2.07 0.41 -4.95 121.20 117.47 2jql s ILE 50 Ca 0.40 -0.79 0.08 0.00 -1.41 0.00 0.00 60.65 58.93 2jql s ILE 50 Cb -0.24 -2.10 -0.02 0.00 0.13 0.00 0.00 42.46 40.23 2jql s ILE 50 CO 0.28 0.55 0.33 0.42 -1.91 0.00 0.00 174.94 174.61 2jql s THR 51 N 0.12 2.97 -1.11 4.00 -4.23 -1.26 -2.54 115.64 113.60 2jql s THR 51 Ca -0.08 -1.37 -0.13 0.00 -1.18 0.00 0.00 61.69 58.92 2jql s THR 51 Cb -0.15 -3.06 -0.07 0.00 1.34 0.00 0.00 72.50 70.55 2jql s THR 51 CO 0.05 -0.07 2.23 -0.46 -0.54 0.00 0.00 174.62 175.84 2jql n ASN 52 N -1.46 4.74 -0.02 3.99 0.23 -1.20 -4.55 115.26 116.98 2jql n ASN 52 Ca 0.01 -2.57 0.16 0.00 -0.53 0.00 0.00 54.58 51.65 2jql n ASN 52 Cb 0.61 -1.29 0.93 0.00 -2.08 0.00 0.00 39.78 37.95 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 5.26 1.01 0.00 -3.83 0.63 -1.26 -4.88 116.66 113.59 2jql n ARG 53 Ca 0.54 -0.04 0.00 0.00 -0.92 0.00 0.00 57.85 57.43 2jql n ARG 53 Cb 0.28 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.69 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 -0.96 0.00 -3.90 6.15 5.15 -0.82 -4.80 115.26 116.08 2jql n ASN 54 Ca 0.23 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 54.06 2jql n ASN 54 Cb 0.12 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.23 2jql n ASN 54 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2jql s VAL 55 N 0.00 0.27 -0.14 3.44 1.01 -1.26 -1.90 120.40 121.82 2jql s VAL 55 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2jql s VAL 55 Cb 0.00 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.14 2jql s VAL 55 CO 0.00 0.10 -0.13 -0.89 0.00 0.00 0.00 175.10 174.18 2jql s THR 56 N 0.22 1.49 -0.19 3.92 2.01 0.46 -4.88 115.64 118.67 2jql s THR 56 Ca -0.02 -0.58 -0.08 0.00 0.31 0.00 0.00 61.69 61.32 2jql s THR 56 Cb -0.05 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 2jql s THR 56 CO -0.00 0.45 0.07 0.42 -0.69 0.00 0.00 174.62 174.86 2jql s THR 57 N 1.49 4.80 -0.15 -0.82 -4.23 -1.26 -0.10 115.64 115.36 2jql s THR 57 Ca 0.04 -0.03 -0.00 0.00 -1.18 0.00 0.00 61.69 60.52 2jql s THR 57 Cb -0.13 -3.18 -0.01 0.00 1.34 0.00 0.00 72.50 70.53 2jql s THR 57 CO -0.10 0.44 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.65 2jql s ILE 58 N 0.54 2.80 0.00 2.99 1.09 -0.80 0.12 121.20 127.95 2jql s ILE 58 Ca 0.04 -0.73 0.00 0.00 -1.10 0.00 0.00 60.65 58.86 2jql s ILE 58 Cb -0.13 -2.19 0.00 0.00 -1.06 0.00 0.00 42.46 39.08 2jql s ILE 58 CO 0.01 0.51 0.00 0.61 -0.10 0.00 0.00 174.94 175.97 2jql n GLY 59 N 3.99 -0.58 0.01 6.18 0.00 -0.99 -3.09 105.19 110.72 2jql n GLY 59 Ca -0.19 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.74 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 2.94 -1.64 1.61 0.63 -1.25 -2.85 116.66 116.10 2jql n ARG 60 Ca 0.00 -0.01 -0.56 0.00 -0.92 0.00 0.00 57.85 56.36 2jql n ARG 60 Cb 0.00 -1.07 -0.07 0.00 0.45 0.00 0.00 32.46 31.77 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 -2.01 1.71 0.11 6.15 2.88 -1.26 -4.79 113.62 116.41 2jql n SER 61 Ca -0.04 1.11 0.18 0.00 -1.33 0.00 0.00 58.87 58.80 2jql n SER 61 Cb 0.49 -1.12 0.75 0.00 -0.75 0.00 0.00 64.21 63.59 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 5.42 0.00 0.00 -1.46 2.43 -1.98 0.28 114.38 119.08 2jql h ARG 62 Ca -0.47 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.64 2jql h ARG 62 Cb 1.34 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 2jql h ARG 62 CO 0.85 0.00 -0.29 0.77 -1.51 0.00 0.00 179.97 179.79 2jql h SER 63 N 0.00 0.00 -3.58 -3.80 0.02 -2.00 -3.46 113.55 100.73 2jql h SER 63 Ca 0.16 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.59 2jql h SER 63 Cb 0.78 0.00 0.21 0.00 0.14 0.00 0.00 62.40 63.53 2jql h SER 63 CO -0.00 0.29 -0.40 0.00 -1.14 0.00 0.00 176.83 175.57 2jql h ASP 65 N -1.66 -0.19 -3.70 0.00 1.82 0.61 -3.46 116.42 109.83 2jql h ASP 65 Ca -0.44 -0.26 -0.58 0.00 -0.39 0.00 0.00 57.03 55.36 2jql h ASP 65 Cb 1.28 0.05 -0.32 0.00 0.68 0.00 0.00 39.33 41.02 2jql h ASP 65 CO 0.36 0.36 -0.84 -0.69 -1.61 0.00 0.00 179.24 176.82 2jql s VAL 66 N -2.92 1.52 -0.18 2.25 1.01 0.58 -4.92 120.40 117.74 2jql s VAL 66 Ca -0.10 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.03 2jql s VAL 66 Cb 0.00 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 2jql s VAL 66 CO 0.35 0.44 0.18 0.27 0.00 0.00 0.00 175.10 176.34 2jql s ILE 67 N 0.22 5.38 -0.05 2.22 -4.36 -1.26 -2.34 121.20 121.01 2jql s ILE 67 Ca -0.09 0.30 0.03 0.00 -0.26 0.00 0.00 60.65 60.64 2jql s ILE 67 Cb -0.14 -3.51 0.00 0.00 1.25 0.00 0.00 42.46 40.06 2jql s ILE 67 CO 0.04 0.44 -0.14 -0.76 0.24 0.00 0.00 174.94 174.76 2jql s LEU 68 N 0.25 1.81 0.00 0.37 2.01 -1.13 -4.91 118.68 117.08 2jql s LEU 68 Ca 0.11 -0.30 0.00 0.00 0.01 0.00 0.00 54.13 53.95 2jql s LEU 68 Cb -0.12 -0.83 0.00 0.00 0.01 0.00 0.00 46.19 45.25 2jql s LEU 68 CO 0.00 0.10 0.00 -1.20 1.01 0.00 0.00 176.35 176.26 2jql n SER 69 N 3.37 0.00 0.00 2.29 7.64 -1.26 -4.45 113.62 121.21 2jql n SER 69 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 2jql n SER 69 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2jql n SER 69 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2jql n GLU 70 N 0.00 0.00 -0.38 1.43 2.13 -1.26 -4.78 120.64 117.79 2jql n GLU 70 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 2jql n GLU 70 Cb 0.00 0.00 0.11 0.00 0.27 0.00 0.00 31.44 31.82 2jql n GLU 70 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 2jql h PRO 71 N 0.00 1.31 -0.34 5.31 0.11 -1.99 -3.04 132.00 133.36 2jql h PRO 71 Ca 0.00 -0.08 -0.22 0.00 0.11 0.00 0.00 66.00 65.81 2jql h PRO 71 Cb 0.00 -0.30 -0.15 0.00 0.11 0.00 0.00 31.00 30.67 2jql h PRO 71 CO 0.00 0.87 -0.36 -0.40 -0.21 0.00 0.00 178.00 177.90 2jql n ASP 72 N -4.39 2.96 -4.52 -2.05 5.68 -1.26 -5.01 116.55 107.96 2jql n ASP 72 Ca 0.12 -3.83 -0.34 0.00 -0.50 0.00 0.00 54.79 50.24 2jql n ASP 72 Cb 0.02 -0.55 -0.12 0.00 -1.14 0.00 0.00 41.12 39.33 2jql n ASP 72 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 2jql s ILE 73 N -3.62 3.91 0.11 2.12 1.10 -1.15 -4.91 121.20 118.77 2jql s ILE 73 Ca 0.45 -0.36 -0.30 0.00 -0.51 0.00 0.00 60.65 59.93 2jql s ILE 73 Cb 0.40 -2.70 -0.06 0.00 0.15 0.00 0.00 42.46 40.25 2jql s ILE 73 CO -0.02 0.51 1.02 -0.44 -2.11 0.00 0.00 174.94 173.90 2jql s SER 74 N 0.18 7.39 0.45 4.50 0.01 -1.26 -4.32 113.70 120.65 2jql s SER 74 Ca -0.02 1.88 0.14 0.00 1.31 0.00 0.00 55.95 59.26 2jql s SER 74 Cb -0.14 -2.59 1.07 0.00 0.21 0.00 0.00 66.02 64.58 2jql s SER 74 CO 0.03 -0.16 2.02 0.74 0.41 0.00 0.00 173.24 176.28 2jql h THR 75 N 4.07 0.94 -0.27 1.44 2.02 -1.91 -1.08 112.91 118.12 2jql h THR 75 Ca -0.43 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.64 2jql h THR 75 Cb 1.21 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 2jql h THR 75 CO 0.73 0.06 0.00 0.49 0.37 0.00 0.00 175.52 177.17 2jql n PHE 76 N -4.47 0.57 0.00 3.16 3.01 -1.26 -4.49 117.46 113.98 2jql n PHE 76 Ca 0.06 -0.66 0.00 0.00 1.01 0.00 0.00 57.45 57.87 2jql n PHE 76 Cb 0.29 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 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 -0.03 0.00 -3.93 1.38 -0.00 -0.41 -4.23 115.22 108.00 2jql n HIS 77 Ca 0.14 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.23 2jql n HIS 77 Cb 0.59 -0.16 -0.07 0.00 -0.12 0.00 0.00 29.99 30.23 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 -3.13 -0.09 -0.04 1.57 0.00 -1.18 -0.23 121.76 118.67 2jql s ALA 78 Ca 0.00 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.17 2jql s ALA 78 Cb 0.00 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.93 2jql s ALA 78 CO 0.00 -0.62 -0.03 -1.21 0.00 0.00 0.00 175.76 173.90 2jql s GLU 79 N -3.94 0.61 -0.09 0.00 2.02 -1.20 -1.90 118.70 114.20 2jql s GLU 79 Ca 0.14 -0.05 0.04 0.00 0.02 0.00 0.00 54.97 55.13 2jql s GLU 79 Cb 0.03 -0.67 -0.00 0.00 0.10 0.00 0.00 34.13 33.59 2jql s GLU 79 CO -0.03 -0.08 -0.23 -0.06 0.02 0.00 0.00 175.26 174.88 2jql s PHE 80 N 0.87 2.56 -0.32 1.61 0.40 0.86 -0.53 117.98 123.43 2jql s PHE 80 Ca -0.10 -0.93 -0.17 0.00 -0.60 0.00 0.00 56.93 55.13 2jql s PHE 80 Cb -0.13 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.68 2jql s PHE 80 CO -0.00 -0.35 0.45 -1.01 0.70 0.00 0.00 175.22 175.00 2jql s HIS 81 N 0.23 3.21 -0.36 0.36 3.76 0.68 0.18 115.29 123.34 2jql s HIS 81 Ca -0.15 0.22 -0.09 0.00 -0.15 0.00 0.00 55.06 54.89 2jql s HIS 81 Cb -0.17 -2.77 0.03 0.00 1.11 0.00 0.00 32.58 30.79 2jql s HIS 81 CO 0.07 -0.42 0.17 -1.17 -0.85 0.00 0.00 174.74 172.55 2jql s LEU 82 N 2.22 4.61 -0.02 0.89 2.96 -0.80 -1.23 118.68 127.31 2jql s LEU 82 Ca 0.16 -1.08 0.07 0.00 -0.22 0.00 0.00 54.13 53.07 2jql s LEU 82 Cb -0.16 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 2jql s LEU 82 CO 0.12 -0.37 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.78 2jql s LEU 83 N 1.49 2.05 -0.06 -0.68 1.43 -1.15 -1.95 118.68 119.81 2jql s LEU 83 Ca 0.01 -0.42 0.06 0.00 -1.03 0.00 0.00 54.13 52.74 2jql s LEU 83 Cb -0.19 -1.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.82 2jql s LEU 83 CO 0.05 0.29 -0.24 -1.58 0.23 0.00 0.00 176.35 175.10 2jql s GLN 84 N -0.55 2.56 -0.10 1.70 0.74 -1.26 -2.99 119.66 119.77 2jql s GLN 84 Ca 0.09 -0.88 -0.17 0.00 0.05 0.00 0.00 55.36 54.45 2jql s GLN 84 Cb -0.09 -2.19 0.04 0.00 1.10 0.00 0.00 33.01 31.87 2jql s GLN 84 CO -0.01 0.40 0.42 1.41 -0.55 0.00 0.00 175.29 176.96 2jql s MET 85 N -0.20 0.62 -0.21 1.67 1.75 -0.74 -5.03 119.30 117.17 2jql s MET 85 Ca -0.02 0.29 -0.09 0.00 -1.25 0.00 0.00 55.69 54.61 2jql s MET 85 Cb -0.13 0.29 -0.05 0.00 2.84 0.00 0.00 34.83 37.78 2jql s MET 85 CO 0.03 -0.13 0.12 0.16 -0.65 0.00 0.00 175.02 174.55 2jql s ASP 86 N -0.46 6.03 -0.01 1.11 -4.77 -1.26 0.10 116.67 117.41 2jql s ASP 86 Ca -0.06 0.16 0.00 0.00 -3.30 0.00 0.00 52.55 49.35 2jql s ASP 86 Cb -0.03 -2.06 0.01 0.00 -1.09 0.00 0.00 42.92 39.75 2jql s ASP 86 CO 0.03 0.15 0.01 0.54 0.70 0.00 0.00 175.17 176.60 2jql s VAL 87 N 0.53 0.00 -1.34 2.11 0.11 0.15 -4.85 120.40 117.12 2jql s VAL 87 Ca 0.07 0.09 -0.08 0.00 -2.93 0.00 0.00 61.98 59.13 2jql s VAL 87 Cb -0.12 -0.07 0.01 0.00 -1.53 0.00 0.00 36.38 34.67 2jql s VAL 87 CO -0.00 0.05 1.16 -0.67 -3.33 0.00 0.00 175.10 172.32 2jql n ASP 88 N 3.61 -5.96 -2.53 3.54 -0.08 -1.26 -1.61 116.55 112.26 2jql n ASP 88 Ca -0.20 -0.54 -0.21 0.00 -1.51 0.00 0.00 54.79 52.33 2jql n ASP 88 Cb 0.55 -5.02 0.00 0.00 2.34 0.00 0.00 41.12 38.99 2jql n ASP 88 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2jql n ASN 89 N -3.00 -5.97 -4.00 1.67 5.15 -1.26 -4.97 115.26 102.87 2jql n ASN 89 Ca -0.02 -0.08 -0.08 0.00 -0.60 0.00 0.00 54.58 53.80 2jql n ASN 89 Cb 0.57 -4.93 -0.09 0.00 -0.53 0.00 0.00 39.78 34.80 2jql n ASN 89 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2jql s PHE 90 N -3.07 0.36 -0.10 1.20 0.08 -0.64 -5.14 117.98 110.66 2jql s PHE 90 Ca 0.07 -0.81 -0.23 0.00 0.12 0.00 0.00 56.93 56.08 2jql s PHE 90 Cb -0.03 -0.26 -0.03 0.00 -0.57 0.00 0.00 43.02 42.13 2jql s PHE 90 CO 0.09 -0.40 0.72 -0.65 -0.10 0.00 0.00 175.22 174.88 2jql s GLN 91 N -3.46 4.38 -0.23 0.44 -0.21 -1.26 0.31 119.66 119.64 2jql s GLN 91 Ca 0.02 0.87 -0.02 0.00 0.02 0.00 0.00 55.36 56.26 2jql s GLN 91 Cb 0.04 -3.49 0.01 0.00 1.00 0.00 0.00 33.01 30.58 2jql s GLN 91 CO -0.08 -0.05 -0.08 0.50 -2.12 0.00 0.00 175.29 173.46 2jql s ARG 92 N 1.20 3.04 -0.19 2.91 6.06 0.29 -4.90 118.95 127.35 2jql s ARG 92 Ca 0.36 -0.83 -0.04 0.00 -2.50 0.00 0.00 55.73 52.72 2jql s ARG 92 Cb -0.17 -2.92 -0.02 0.00 0.06 0.00 0.00 34.95 31.90 2jql s ARG 92 CO 0.16 -0.30 -0.03 -0.80 -2.50 0.00 0.00 175.30 171.83 2jql s ASN 93 N 1.37 4.56 -0.08 -2.12 0.02 -1.26 -1.79 114.94 115.63 2jql s ASN 93 Ca 0.03 -0.27 0.01 0.00 -1.02 0.00 0.00 52.86 51.61 2jql s ASN 93 Cb -0.15 -1.77 0.02 0.00 0.02 0.00 0.00 41.25 39.37 2jql s ASN 93 CO -0.06 0.06 -0.09 -0.76 0.02 0.00 0.00 177.10 176.27 2jql s LEU 94 N 1.03 1.41 -0.08 0.60 1.02 -1.16 -4.96 118.68 116.54 2jql s LEU 94 Ca 0.01 -0.28 0.02 0.00 0.02 0.00 0.00 54.13 53.90 2jql s LEU 94 Cb -0.15 -0.79 -0.02 0.00 0.02 0.00 0.00 46.19 45.25 2jql s LEU 94 CO 0.01 -0.04 -0.12 -0.63 0.02 0.00 0.00 176.35 175.59 2jql s ILE 95 N 1.13 3.26 -0.17 -0.59 1.09 -1.14 -2.94 121.20 121.85 2jql s ILE 95 Ca -0.06 -0.63 -0.01 0.00 -1.10 0.00 0.00 60.65 58.85 2jql s ILE 95 Cb -0.14 -2.32 -0.01 0.00 -1.06 0.00 0.00 42.46 38.93 2jql s ILE 95 CO -0.02 0.57 -0.11 0.21 -0.10 0.00 0.00 174.94 175.50 2jql s ASN 96 N -0.45 4.01 -0.10 3.58 3.04 -0.37 0.83 114.94 125.48 2jql s ASN 96 Ca 0.06 -0.38 -0.13 0.00 0.04 0.00 0.00 52.86 52.45 2jql s ASN 96 Cb -0.12 -1.64 -0.05 0.00 -1.54 0.00 0.00 41.25 37.90 2jql s ASN 96 CO 0.02 0.08 0.30 -0.69 -3.04 0.00 0.00 177.10 173.78 2jql s VAL 97 N 0.83 5.26 0.03 -5.21 1.01 0.59 -0.23 120.40 122.69 2jql s VAL 97 Ca -0.03 0.58 0.09 0.00 0.00 0.00 0.00 61.98 62.61 2jql s VAL 97 Cb -0.15 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2jql s VAL 97 CO 0.01 0.49 -0.25 -0.63 0.00 0.00 0.00 175.10 174.71 2jql s ILE 98 N -0.29 2.02 -0.29 2.22 -1.09 0.31 -2.85 121.20 121.23 2jql s ILE 98 Ca 0.19 -1.30 -0.08 0.00 -2.23 0.00 0.00 60.65 57.22 2jql s ILE 98 Cb -0.14 -1.72 -0.01 0.00 -1.58 0.00 0.00 42.46 39.01 2jql s ILE 98 CO 0.07 0.37 0.12 1.51 -1.23 0.00 0.00 174.94 175.78 2jql s ASP 99 N -1.11 5.37 -0.03 3.58 -4.77 -1.26 -3.22 116.67 115.23 2jql s ASP 99 Ca 0.11 -0.46 0.21 0.00 -3.30 0.00 0.00 52.55 49.11 2jql s ASP 99 Cb -0.10 -1.96 0.37 0.00 -1.09 0.00 0.00 42.92 40.14 2jql s ASP 99 CO 0.01 -0.15 1.14 0.29 0.70 0.00 0.00 175.17 177.17 2jql n LYS 100 N 4.95 0.19 -3.96 2.11 4.76 -0.94 -5.00 118.16 120.27 2jql n LYS 100 Ca -0.15 -1.96 -0.21 0.00 -2.87 0.00 0.00 58.31 53.12 2jql n LYS 100 Cb 0.50 -0.06 -0.03 0.00 -1.84 0.00 0.00 35.03 33.60 2jql n LYS 100 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2jql s SER 101 N -1.99 5.86 -0.09 4.39 0.01 0.68 -3.87 113.70 118.69 2jql s SER 101 Ca 0.27 -0.14 0.08 0.00 1.31 0.00 0.00 55.95 57.47 2jql s SER 101 Cb 0.32 -1.52 -0.12 0.00 0.21 0.00 0.00 66.02 64.92 2jql s SER 101 CO -0.13 -0.13 0.04 0.54 0.41 0.00 0.00 173.24 173.97 2jql n ARG 102 N -1.34 2.44 0.07 12.44 1.74 -1.26 -4.76 116.66 125.99 2jql n ARG 102 Ca -0.07 -0.01 -0.04 0.00 -0.77 0.00 0.00 57.85 56.97 2jql n ARG 102 Cb 0.58 -1.24 -0.02 0.00 -1.02 0.00 0.00 32.46 30.76 2jql n ARG 102 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2jql h ASN 103 N 0.00 -0.21 0.00 0.55 2.35 -1.96 -3.50 115.58 112.82 2jql h ASN 103 Ca -0.25 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 2jql h ASN 103 Cb 1.55 0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.97 2jql h ASN 103 CO 0.01 0.07 0.00 0.61 -1.65 0.00 0.00 177.43 176.47 2jql n GLY 104 N 0.92 2.62 2.88 2.83 0.00 -1.26 -5.01 105.19 108.16 2jql n GLY 104 Ca -0.03 0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.46 0.75 -0.15 2.61 2.01 -1.26 0.57 115.64 119.71 2jql s THR 105 Ca 0.00 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 61.86 2jql s THR 105 Cb 0.00 -0.80 0.01 0.00 0.01 0.00 0.00 72.50 71.71 2jql s THR 105 CO 0.00 0.31 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.69 2jql s PHE 106 N 1.52 2.72 -0.04 4.92 0.40 -0.36 -4.27 117.98 122.87 2jql s PHE 106 Ca -0.00 -1.25 0.06 0.00 -0.60 0.00 0.00 56.93 55.13 2jql s PHE 106 Cb -0.13 -1.85 -0.01 0.00 0.51 0.00 0.00 43.02 41.53 2jql s PHE 106 CO -0.04 -0.58 -0.21 -1.50 0.70 0.00 0.00 175.22 173.58 2jql s ILE 107 N 0.86 1.73 -1.82 0.64 1.10 -0.76 0.40 121.20 123.35 2jql s ILE 107 Ca -0.05 -0.91 0.00 0.00 -0.51 0.00 0.00 60.65 59.18 2jql s ILE 107 Cb -0.15 -1.46 0.00 0.00 0.15 0.00 0.00 42.46 41.00 2jql s ILE 107 CO -0.02 0.49 0.00 0.59 -2.11 0.00 0.00 174.94 173.89 2jql n ASN 108 N 2.84 -5.68 0.00 4.50 5.03 0.87 -0.82 115.26 122.01 2jql n ASN 108 Ca -0.17 0.11 0.00 0.00 0.87 0.00 0.00 54.58 55.39 2jql n ASN 108 Cb 0.52 -4.79 0.00 0.00 -1.02 0.00 0.00 39.78 34.49 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 -0.87 0.31 3.12 7.41 0.00 -1.26 -4.98 105.19 108.92 2jql n GLY 109 Ca -0.23 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.04 1.21 0.18 1.61 0.01 0.00 -5.13 114.94 110.78 2jql s ASN 110 Ca 0.00 -0.66 -0.30 0.00 -0.71 0.00 0.00 52.86 51.18 2jql s ASN 110 Cb 0.00 0.01 -0.08 0.00 0.41 0.00 0.00 41.25 41.59 2jql s ASN 110 CO 0.00 -0.21 1.29 -0.60 -1.51 0.00 0.00 177.10 176.07 2jql s ARG 111 N -2.08 4.40 0.29 -0.60 3.52 -1.26 -1.83 118.95 121.39 2jql s ARG 111 Ca -0.03 2.01 -0.28 0.00 -0.13 0.00 0.00 55.73 57.30 2jql s ARG 111 Cb -0.07 -3.22 -0.09 0.00 -1.56 0.00 0.00 34.95 30.01 2jql s ARG 111 CO 0.00 -0.24 1.02 -1.17 -0.81 0.00 0.00 175.30 174.10 2jql s LEU 112 N 0.03 4.50 0.03 -0.88 0.20 -1.26 -4.94 118.68 116.35 2jql s LEU 112 Ca 0.57 2.07 -0.21 0.00 0.69 0.00 0.00 54.13 57.25 2jql s LEU 112 Cb -0.35 -3.76 0.04 0.00 -0.43 0.00 0.00 46.19 41.70 2jql s LEU 112 CO 0.37 -0.08 0.47 0.68 -0.29 0.00 0.00 176.35 177.50 2jql s VAL 113 N -1.30 0.04 0.00 1.68 -7.23 -1.26 -4.89 120.40 107.43 2jql s VAL 113 Ca 0.46 -0.32 0.00 0.00 -1.81 0.00 0.00 61.98 60.31 2jql s VAL 113 Cb -0.27 -0.92 0.00 0.00 0.56 0.00 0.00 36.38 35.75 2jql s VAL 113 CO 0.34 -0.18 0.00 0.29 -0.31 0.00 0.00 175.10 175.24 2jql n LYS 114 N 0.61 -0.62 0.00 4.82 5.02 -1.26 -4.85 118.16 121.88 2jql n LYS 114 Ca -0.19 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2jql n LYS 114 Cb 0.59 -3.76 0.00 0.00 -0.02 0.00 0.00 35.03 31.84 2jql n LYS 114 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2jql n LYS 115 N -1.43 0.00 -3.78 1.97 5.02 -1.26 -4.83 118.16 113.84 2jql n LYS 115 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 2jql n LYS 115 Cb 0.16 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.19 2jql n LYS 115 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jql n ASP 116 N -3.68 -1.73 -4.77 4.39 2.03 -1.26 -4.94 116.55 106.60 2jql n ASP 116 Ca 0.00 -0.84 -0.40 0.00 0.52 0.00 0.00 54.79 54.07 2jql n ASP 116 Cb 0.00 -3.86 -0.06 0.00 -0.72 0.00 0.00 41.12 36.48 2jql n ASP 116 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2jql s TYR 117 N -3.64 3.87 -0.29 -0.67 6.14 -1.13 -4.94 117.35 116.69 2jql s TYR 117 Ca 0.13 1.60 -0.13 0.00 0.64 0.00 0.00 57.07 59.32 2jql s TYR 117 Cb -0.07 -2.79 -0.04 0.00 0.42 0.00 0.00 41.96 39.48 2jql s TYR 117 CO 0.83 0.45 0.26 -1.50 0.64 0.00 0.00 175.55 176.22 2jql s ILE 118 N -0.85 5.26 -0.02 3.14 1.10 -1.26 -0.30 121.20 128.27 2jql s ILE 118 Ca 0.37 0.23 -0.02 0.00 -0.51 0.00 0.00 60.65 60.73 2jql s ILE 118 Cb -0.23 -3.61 -0.04 0.00 0.15 0.00 0.00 42.46 38.73 2jql s ILE 118 CO 0.26 0.18 0.10 -0.22 -2.11 0.00 0.00 174.94 173.14 2jql s LEU 119 N 1.86 4.02 0.38 8.50 0.20 0.24 -4.94 118.68 128.95 2jql s LEU 119 Ca 0.09 0.22 0.04 0.00 0.69 0.00 0.00 54.13 55.18 2jql s LEU 119 Cb -0.16 -2.29 -0.03 0.00 -0.43 0.00 0.00 46.19 43.28 2jql s LEU 119 CO 0.11 0.29 0.16 -0.54 -0.29 0.00 0.00 176.35 176.08 2jql s LYS 120 N -1.66 1.87 0.58 1.98 1.02 -1.26 -2.86 119.74 119.41 2jql s LYS 120 Ca 0.22 -2.12 -0.20 0.00 0.02 0.00 0.00 55.97 53.89 2jql s LYS 120 Cb -0.12 -0.36 -0.03 0.00 -0.52 0.00 0.00 37.83 36.79 2jql s LYS 120 CO 0.13 -0.52 1.32 0.54 -0.92 0.00 0.00 175.35 175.91 2jql s ASN 121 N -3.54 5.03 -0.86 2.83 4.22 -1.26 -3.31 114.94 118.05 2jql s ASN 121 Ca 0.28 2.68 -0.04 0.00 -2.14 0.00 0.00 52.86 53.64 2jql s ASN 121 Cb 0.03 -2.63 0.00 0.00 1.28 0.00 0.00 41.25 39.93 2jql s ASN 121 CO 0.18 -1.72 0.75 0.61 -2.04 0.00 0.00 177.10 174.87 2jql n GLY 122 N 0.77 -0.05 3.47 0.45 0.00 0.62 -4.97 105.19 105.47 2jql n GLY 122 Ca 0.13 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.42 4.22 -0.27 1.61 1.11 -1.11 -4.96 116.67 113.85 2jql s ASP 123 Ca 0.27 -0.19 -0.17 0.00 0.18 0.00 0.00 52.55 52.65 2jql s ASP 123 Cb -0.12 -1.21 -0.03 0.00 1.07 0.00 0.00 42.92 42.63 2jql s ASP 123 CO 0.48 0.28 0.45 -0.13 1.18 0.00 0.00 175.17 177.44 2jql s ARG 124 N -0.36 4.03 -0.11 8.23 3.00 -1.26 -1.96 118.95 130.52 2jql s ARG 124 Ca 0.04 0.19 0.01 0.00 0.00 0.00 0.00 55.73 55.97 2jql s ARG 124 Cb -0.12 -3.66 -0.02 0.00 0.00 0.00 0.00 34.95 31.15 2jql s ARG 124 CO 0.02 -0.33 -0.15 0.42 0.00 0.00 0.00 175.30 175.26 2jql s ILE 125 N 2.21 2.89 -0.06 1.52 1.01 -0.01 -0.09 121.20 128.68 2jql s ILE 125 Ca 0.18 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 60.15 2jql s ILE 125 Cb -0.16 -2.18 -0.00 0.00 0.01 0.00 0.00 42.46 40.13 2jql s ILE 125 CO 0.10 0.54 -0.19 -0.69 0.00 0.00 0.00 174.94 174.69 2jql s VAL 126 N 0.12 1.64 0.01 2.92 1.01 0.16 -0.53 120.40 125.74 2jql s VAL 126 Ca -0.07 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.16 2jql s VAL 126 Cb -0.15 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 2jql s VAL 126 CO 0.05 0.46 -0.22 -0.36 0.00 0.00 0.00 175.10 175.03 2jql s PHE 127 N 0.10 2.44 0.00 5.22 0.08 0.27 -1.23 117.98 124.86 2jql s PHE 127 Ca -0.07 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 56.64 2jql s PHE 127 Cb -0.13 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.84 2jql s PHE 127 CO 0.04 0.12 0.00 0.41 -0.10 0.00 0.00 175.22 175.69 2jql n GLY 128 N 1.99 0.87 0.00 4.36 0.00 0.19 -2.62 105.19 109.98 2jql n GLY 128 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2jql n GLY 128 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jql n LYS 129 N 0.00 0.00 -0.11 1.61 2.85 -1.26 -4.12 118.16 117.14 2jql n LYS 129 Ca 0.00 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.09 2jql n LYS 129 Cb 0.00 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.29 2jql n LYS 129 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2jql n SER 130 N 0.00 2.13 -4.51 -5.58 3.41 -1.22 -4.92 113.62 102.93 2jql n SER 130 Ca 0.00 0.01 -0.43 0.00 -0.26 0.00 0.00 58.87 58.19 2jql n SER 130 Cb 0.00 -0.43 -0.07 0.00 -0.26 0.00 0.00 64.21 63.45 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 2.40 0.04 0.00 0.01 -1.26 0.95 113.70 125.46 2jql s SER 132 Ca 1.09 -0.41 -0.03 0.00 1.31 0.00 0.00 55.95 57.91 2jql s SER 132 Cb -0.62 -0.91 -0.02 0.00 0.21 0.00 0.00 66.02 64.67 2jql s SER 132 CO 0.39 0.13 0.04 0.72 0.41 0.00 0.00 173.24 174.93 2jql s PHE 133 N 0.28 0.32 -0.09 2.43 -0.71 0.32 -0.34 117.98 120.18 2jql s PHE 133 Ca -0.11 -0.71 0.02 0.00 -1.04 0.00 0.00 56.93 55.09 2jql s PHE 133 Cb -0.15 -0.23 -0.02 0.00 -1.21 0.00 0.00 43.02 41.41 2jql s PHE 133 CO 0.05 -0.35 -0.15 -1.17 -1.34 0.00 0.00 175.22 172.25 2jql s LEU 134 N -2.35 2.63 -0.05 -1.99 2.96 -0.01 -0.83 118.68 119.05 2jql s LEU 134 Ca -0.02 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 2jql s LEU 134 Cb 0.01 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 2jql s LEU 134 CO -0.06 0.24 -0.03 0.12 -1.32 0.00 0.00 176.35 175.29 2jql s PHE 135 N -0.08 3.02 -0.05 5.38 5.36 -0.83 -2.14 117.98 128.64 2jql s PHE 135 Ca -0.03 0.07 -0.22 0.00 -0.96 0.00 0.00 56.93 55.80 2jql s PHE 135 Cb -0.14 -1.71 0.05 0.00 -0.34 0.00 0.00 43.02 40.88 2jql s PHE 135 CO 0.04 0.40 0.49 0.21 -1.46 0.00 0.00 175.22 174.90 2jql s LYS 136 N -1.07 0.83 0.27 10.12 2.20 -1.16 -0.28 119.74 130.66 2jql s LYS 136 Ca 0.15 0.10 -0.29 0.00 -0.36 0.00 0.00 55.97 55.57 2jql s LYS 136 Cb -0.11 0.38 -0.09 0.00 -1.51 0.00 0.00 37.83 36.50 2jql s LYS 136 CO 0.04 -0.23 1.10 0.71 -0.36 0.00 0.00 175.35 176.61 2jql s TYR 137 N -1.09 3.59 -0.33 4.03 2.02 -1.26 -1.96 117.35 122.35 2jql s TYR 137 Ca -0.11 1.70 0.01 0.00 -0.37 0.00 0.00 57.07 58.29 2jql s TYR 137 Cb -0.03 -3.28 0.10 0.00 -0.40 0.00 0.00 41.96 38.35 2jql s TYR 137 CO 0.06 -0.54 0.09 0.00 -1.57 0.00 0.00 175.55 173.59 2jql s ALA 138 N -1.11 1.95 0.00 3.71 0.00 0.24 -4.88 121.76 121.67 2jql s ALA 138 Ca 0.45 -1.97 0.00 0.00 0.00 0.00 0.00 51.96 50.44 2jql s ALA 138 Cb -0.32 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.07 2jql s ALA 138 CO 0.41 -1.70 0.00 0.43 0.00 0.00 0.00 175.76 174.90 2jql n SER 139 N 4.60 0.00 -3.53 0.00 7.64 -1.26 -4.06 113.62 117.01 2jql n SER 139 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 2jql n SER 139 Cb 0.42 0.09 -0.06 0.00 -1.01 0.00 0.00 64.21 63.65 2jql n SER 139 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jql s SER 140 N -4.21 -0.60 -0.09 6.43 0.01 -1.26 -5.16 113.70 108.83 2jql s SER 140 Ca 0.00 0.66 -0.03 0.00 1.31 0.00 0.00 55.95 57.88 2jql s SER 140 Cb 0.00 0.49 0.05 0.00 0.21 0.00 0.00 66.02 66.77 2jql s SER 140 CO 0.00 -0.55 0.12 -0.94 0.41 0.00 0.00 173.24 172.28 2jql s SER 141 N -1.16 1.20 0.00 2.44 1.04 -1.26 -4.96 113.70 111.00 2jql s SER 141 Ca -0.09 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2jql s SER 141 Cb -0.00 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.16 2jql s SER 141 CO 0.08 -0.27 0.00 -1.54 0.98 0.00 0.00 173.24 172.49 2jql n SER 142 N 5.31 0.00 -4.82 7.02 3.41 -1.26 -5.13 113.62 118.14 2jql n SER 142 Ca -0.04 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.22 2jql n SER 142 Cb 0.50 0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 64.55 2jql n SER 142 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2jql s THR 143 N -1.42 4.54 -0.20 6.66 -4.23 -1.26 -4.98 115.64 114.75 2jql s THR 143 Ca 0.00 1.26 0.19 0.00 -1.18 0.00 0.00 61.69 61.96 2jql s THR 143 Cb 0.00 -3.78 -0.27 0.00 1.34 0.00 0.00 72.50 69.79 2jql s THR 143 CO 0.00 0.03 0.48 0.47 -0.54 0.00 0.00 174.62 175.06 2jql n ASP 144 N 0.25 0.77 -2.05 3.99 9.92 -1.26 -4.21 116.55 123.96 2jql n ASP 144 Ca 0.01 -0.20 -0.08 0.00 -0.53 0.00 0.00 54.79 53.99 2jql n ASP 144 Cb 0.52 1.67 0.29 0.00 -0.64 0.00 0.00 41.12 42.96 2jql n ASP 144 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2jql n ILE 145 N -1.99 2.99 -2.18 0.53 5.41 -1.26 -4.00 119.36 118.86 2jql n ILE 145 Ca -0.02 -1.68 -0.06 0.00 1.00 0.00 0.00 62.75 62.00 2jql n ILE 145 Cb 0.44 -0.37 -0.02 0.00 -0.71 0.00 0.00 39.64 38.98 2jql n ILE 145 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2jql n GLU 146 N -0.28 0.35 0.00 0.38 2.13 -1.26 -4.85 120.64 117.11 2jql n GLU 146 Ca 0.44 -1.08 0.00 0.00 0.66 0.00 0.00 57.16 57.18 2jql n GLU 146 Cb 1.44 0.47 0.00 0.00 0.27 0.00 0.00 31.44 33.61 2jql n GLU 146 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2jql n ASN 147 N -0.39 0.00 -1.75 4.31 5.15 -1.26 -4.94 115.26 116.38 2jql n ASN 147 Ca -0.25 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 53.70 2jql n ASN 147 Cb 0.75 0.10 0.07 0.00 -0.53 0.00 0.00 39.78 40.17 2jql n ASN 147 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2jql n ASP 148 N -2.26 2.20 -3.83 1.20 -0.08 -1.26 -5.02 116.55 107.49 2jql n ASP 148 Ca 0.00 -2.85 -0.25 0.00 -1.51 0.00 0.00 54.79 50.18 2jql n ASP 148 Cb 0.00 -0.41 -0.17 0.00 2.34 0.00 0.00 41.12 42.88 2jql n ASP 148 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2jql s ASP 149 N -3.13 1.83 0.11 1.67 2.15 -1.26 -4.99 116.67 113.05 2jql s ASP 149 Ca 0.37 -0.18 0.00 0.00 0.43 0.00 0.00 52.55 53.17 2jql s ASP 149 Cb 0.37 -0.61 0.00 0.00 -0.30 0.00 0.00 42.92 42.38 2jql s ASP 149 CO -0.07 -0.16 0.00 1.21 -0.17 0.00 0.00 175.17 175.99 2jql n GLU 150 N 5.03 0.00 -4.37 4.34 2.13 -1.26 -4.73 120.64 121.78 2jql n GLU 150 Ca -0.10 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.45 2jql n GLU 150 Cb 0.50 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.14 2jql n GLU 150 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2jql s LYS 151 N -1.28 2.15 -0.10 5.31 -2.85 -1.26 -5.16 119.74 116.55 2jql s LYS 151 Ca 0.00 -2.06 -0.09 0.00 -1.00 0.00 0.00 55.97 52.82 2jql s LYS 151 Cb 0.00 -1.80 0.03 0.00 -2.06 0.00 0.00 37.83 33.99 2jql s LYS 151 CO 0.00 -0.22 0.26 0.14 0.10 0.00 0.00 175.35 175.64 2jql s VAL 152 N -2.71 -0.00 -0.01 1.79 -7.23 -1.26 -5.16 120.40 105.82 2jql s VAL 152 Ca 0.30 0.01 -0.02 0.00 -1.81 0.00 0.00 61.98 60.47 2jql s VAL 152 Cb 0.04 -0.38 -0.04 0.00 0.56 0.00 0.00 36.38 36.57 2jql s VAL 152 CO 0.17 0.01 0.16 -0.55 -0.31 0.00 0.00 175.10 174.57 2jql s SER 153 N 0.25 6.22 0.00 4.85 0.15 -1.26 -5.00 113.70 118.90 2jql s SER 153 Ca -0.01 0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.94 2jql s SER 153 Cb -0.03 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 2jql s SER 153 CO -0.01 0.26 0.00 -0.24 1.20 0.00 0.00 173.24 174.46 2jql n SER 154 N 0.98 1.71 -4.07 5.45 2.88 -1.26 -5.10 113.62 114.22 2jql n SER 154 Ca -0.11 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.33 2jql n SER 154 Cb 0.53 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.88 2jql n SER 154 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2jql s GLU 155 N -1.92 0.56 -0.15 -1.46 2.02 -1.26 -5.03 118.70 111.46 2jql s GLU 155 Ca 0.00 -0.95 -0.11 0.00 0.02 0.00 0.00 54.97 53.93 2jql s GLU 155 Cb 0.00 -0.05 0.04 0.00 0.10 0.00 0.00 34.13 34.23 2jql s GLU 155 CO 0.00 -0.03 0.21 0.43 0.02 0.00 0.00 175.26 175.89 2jql n SER 156 N 0.85 -1.80 -1.05 -0.19 7.64 -1.26 -4.97 113.62 112.84 2jql n SER 156 Ca -0.19 1.43 0.02 0.00 1.01 0.00 0.00 58.87 61.14 2jql n SER 156 Cb 0.58 -5.24 0.14 0.00 -1.01 0.00 0.00 64.21 58.67 2jql n SER 156 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jql n ARG 157 N 1.72 1.49 -1.57 1.43 1.74 -1.26 -4.69 116.66 115.52 2jql n ARG 157 Ca -0.36 -3.14 0.01 0.00 -0.77 0.00 0.00 57.85 53.59 2jql n ARG 157 Cb 0.56 -1.35 0.01 0.00 -1.02 0.00 0.00 32.46 30.65 2jql n ARG 157 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2jql n SER 158 N -0.70 0.46 0.00 0.55 2.88 -1.26 -5.25 113.62 110.30 2jql n SER 158 Ca 0.19 -2.01 0.00 0.00 -1.33 0.00 0.00 58.87 55.71 2jql n SER 158 Cb 0.83 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 64.16 2jql n SER 158 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59