#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 0.17 -3.61 1.97 1.74 -1.26 -5.15 116.66 110.52 2jql n ARG 20 Ca 0.00 -0.22 -0.37 0.00 -0.77 0.00 0.00 57.85 56.49 2jql n ARG 20 Cb 0.00 0.22 -0.06 0.00 -1.02 0.00 0.00 32.46 31.60 2jql n ARG 20 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2jql s GLN 21 N 0.02 3.77 -0.45 5.56 1.11 -1.26 -5.04 119.66 123.36 2jql s GLN 21 Ca 0.01 0.23 -0.29 0.00 0.01 0.00 0.00 55.36 55.33 2jql s GLN 21 Cb 0.06 -3.18 0.02 0.00 -1.01 0.00 0.00 33.01 28.90 2jql s GLN 21 CO -0.02 0.70 1.21 -1.14 0.01 0.00 0.00 175.29 176.05 2jql s GLN 22 N -1.19 3.70 0.33 2.91 2.00 -1.26 -5.02 119.66 121.14 2jql s GLN 22 Ca 0.23 0.68 0.02 0.00 -2.00 0.00 0.00 55.36 54.29 2jql s GLN 22 Cb -0.15 -3.93 -0.03 0.00 0.80 0.00 0.00 33.01 29.70 2jql s GLN 22 CO 0.12 -1.41 0.51 -0.98 -0.50 0.00 0.00 175.29 173.03 2jql s ARG 23 N 4.55 3.41 0.00 1.67 1.70 -1.26 -4.98 118.95 124.03 2jql s ARG 23 Ca 0.51 -0.49 0.00 0.00 -0.47 0.00 0.00 55.73 55.29 2jql s ARG 23 Cb -0.09 -2.71 0.00 0.00 -0.57 0.00 0.00 34.95 31.58 2jql s ARG 23 CO 0.31 0.16 0.00 0.45 -1.08 0.00 0.00 175.30 175.15 2jql n SER 24 N -1.73 0.00 -3.71 -2.89 2.88 -1.26 -5.15 113.62 101.77 2jql n SER 24 Ca -0.05 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.32 2jql n SER 24 Cb 0.57 0.38 0.10 0.00 -0.75 0.00 0.00 64.21 64.50 2jql n SER 24 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2jql n ASN 25 N -2.32 0.75 -4.57 -3.46 2.85 -1.26 -5.10 115.26 102.15 2jql n ASN 25 Ca 0.00 -1.70 -0.34 0.00 -0.11 0.00 0.00 54.58 52.43 2jql n ASN 25 Cb 0.00 -0.52 -0.11 0.00 1.24 0.00 0.00 39.78 40.38 2jql n ASN 25 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2jql s LYS 26 N -4.50 3.15 0.77 1.20 1.02 -1.26 -5.10 119.74 115.02 2jql s LYS 26 Ca 0.49 -0.51 -0.15 0.00 0.02 0.00 0.00 55.97 55.82 2jql s LYS 26 Cb -0.02 -2.75 0.04 0.00 -0.52 0.00 0.00 37.83 34.57 2jql s LYS 26 CO 0.33 0.51 1.04 -2.30 -0.92 0.00 0.00 175.35 174.01 2jql n PRO 27 N 2.70 0.35 -1.46 -1.68 -0.02 -1.26 -5.03 135.00 128.60 2jql n PRO 27 Ca -0.18 0.18 -0.09 0.00 -2.02 0.00 0.00 63.50 61.40 2jql n PRO 27 Cb 0.53 -2.30 0.04 0.00 -0.02 0.00 0.00 33.50 31.75 2jql n PRO 27 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2jql n SER 28 N -2.31 0.58 -4.93 2.55 2.88 -1.26 -5.11 113.62 106.03 2jql n SER 28 Ca 0.13 -1.47 -0.25 0.00 -1.33 0.00 0.00 58.87 55.94 2jql n SER 28 Cb 0.50 -0.23 0.01 0.00 -0.75 0.00 0.00 64.21 63.74 2jql n SER 28 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2jql s SER 29 N -2.53 5.92 0.02 -3.46 1.04 -1.26 -5.02 113.70 108.41 2jql s SER 29 Ca 0.25 0.62 0.19 0.00 0.48 0.00 0.00 55.95 57.49 2jql s SER 29 Cb -0.02 -1.83 -0.18 0.00 0.10 0.00 0.00 66.02 64.09 2jql s SER 29 CO 0.17 -0.75 0.65 -0.62 0.98 0.00 0.00 173.24 173.67 2jql n GLU 30 N -2.27 0.64 0.00 4.02 1.02 -1.26 -4.91 120.64 117.88 2jql n GLU 30 Ca 0.02 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2jql n GLU 30 Cb 0.57 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 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 -2.68 0.00 -3.77 -0.32 4.01 -1.26 -5.12 117.16 108.02 2jql n TYR 31 Ca -0.11 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.49 2jql n TYR 31 Cb 0.78 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.65 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 3.25 -0.06 0.29 -0.72 2.01 -1.26 -5.01 115.64 114.15 2jql s THR 32 Ca 0.00 0.22 -0.30 0.00 0.31 0.00 0.00 61.69 61.92 2jql s THR 32 Cb 0.00 -0.09 -0.11 0.00 0.01 0.00 0.00 72.50 72.30 2jql s THR 32 CO 0.00 0.09 1.61 0.00 -0.69 0.00 0.00 174.62 175.63 2jql n LEU 34 N 2.23 0.20 0.00 0.00 0.00 -1.22 -4.86 117.00 113.36 2jql n LEU 34 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 56.06 2jql n LEU 34 Cb 0.37 0.00 0.01 0.00 0.00 0.00 0.00 43.42 43.80 2jql n LEU 34 CO 0.64 -0.23 0.17 0.61 0.00 0.00 0.00 177.39 178.59 2jql n GLY 35 N 2.06 1.73 3.14 -3.96 0.00 -1.17 -2.45 105.19 104.54 2jql n GLY 35 Ca 0.00 -1.12 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 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 -6.48 0.39 -0.13 1.61 3.76 -0.82 -2.36 115.29 111.25 2jql s HIS 36 Ca 0.06 -0.89 -0.00 0.00 -0.15 0.00 0.00 55.06 54.08 2jql s HIS 36 Cb -0.02 -0.26 0.02 0.00 1.11 0.00 0.00 32.58 33.44 2jql s HIS 36 CO 0.04 -0.45 -0.10 -0.51 -0.85 0.00 0.00 174.74 172.86 2jql s LEU 37 N -2.90 1.44 -0.24 0.89 1.02 -0.60 -2.98 118.68 115.30 2jql s LEU 37 Ca 0.07 -0.41 -0.08 0.00 0.02 0.00 0.00 54.13 53.73 2jql s LEU 37 Cb 0.07 -1.00 -0.04 0.00 0.02 0.00 0.00 46.19 45.24 2jql s LEU 37 CO -0.10 -0.09 0.09 -0.69 0.02 0.00 0.00 176.35 175.58 2jql s VAL 38 N 1.60 4.61 -0.06 -1.59 1.01 -0.85 -1.09 120.40 124.04 2jql s VAL 38 Ca 0.05 -0.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.76 2jql s VAL 38 Cb -0.13 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 2jql s VAL 38 CO -0.09 0.34 0.54 0.20 0.00 0.00 0.00 175.10 176.09 2jql s ASN 39 N 1.43 6.84 -0.40 3.32 0.01 0.82 -1.30 114.94 125.66 2jql s ASN 39 Ca 0.06 1.01 -0.10 0.00 -0.71 0.00 0.00 52.86 53.12 2jql s ASN 39 Cb -0.15 -2.33 0.06 0.00 0.41 0.00 0.00 41.25 39.25 2jql s ASN 39 CO 0.05 0.06 0.24 -0.76 -1.51 0.00 0.00 177.10 175.18 2jql s LEU 40 N 0.14 4.98 -0.02 0.60 1.02 -0.88 -2.20 118.68 122.32 2jql s LEU 40 Ca 0.29 -1.34 0.06 0.00 0.02 0.00 0.00 54.13 53.16 2jql s LEU 40 Cb -0.17 -1.99 -0.01 0.00 0.02 0.00 0.00 46.19 44.04 2jql s LEU 40 CO 0.14 -0.48 -0.20 -0.63 0.02 0.00 0.00 176.35 175.20 2jql s ILE 41 N 1.46 1.61 0.60 -0.59 1.09 -1.13 -4.60 121.20 119.64 2jql s ILE 41 Ca 0.02 -0.86 0.28 0.00 -1.10 0.00 0.00 60.65 59.00 2jql s ILE 41 Cb -0.22 -1.34 0.37 0.00 -1.06 0.00 0.00 42.46 40.21 2jql s ILE 41 CO 0.03 0.46 1.80 -0.65 -0.10 0.00 0.00 174.94 176.48 2jql h PRO 42 N 5.75 0.00 0.18 2.79 0.11 -1.99 -0.48 132.00 138.36 2jql h PRO 42 Ca -0.38 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.39 2jql h PRO 42 Cb 1.15 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.27 2jql h PRO 42 CO 0.48 0.00 -1.71 0.78 -0.21 0.00 0.00 178.00 177.33 2jql h GLY 43 N 0.00 0.44 -3.59 -0.55 0.00 -2.02 -3.49 103.07 93.86 2jql h GLY 43 Ca 0.23 -1.12 0.36 0.00 0.00 0.00 0.00 47.33 46.80 2jql h GLY 43 CO -0.00 0.98 0.99 1.25 0.00 0.00 0.00 176.54 179.76 2jql s LYS 44 N -2.57 0.02 0.60 4.80 2.20 -0.19 -5.18 119.74 119.43 2jql s LYS 44 Ca -0.16 -0.01 0.02 0.00 -0.36 0.00 0.00 55.97 55.46 2jql s LYS 44 Cb 0.05 0.01 0.07 0.00 -1.51 0.00 0.00 37.83 36.45 2jql s LYS 44 CO 0.85 -0.01 0.84 -1.83 -0.36 0.00 0.00 175.35 174.83 2jql s GLU 45 N -2.03 2.22 -0.23 4.03 -1.05 -1.26 -2.82 118.70 117.56 2jql s GLU 45 Ca 0.13 -1.07 -0.13 0.00 -0.15 0.00 0.00 54.97 53.75 2jql s GLU 45 Cb 0.02 -2.48 0.07 0.00 -0.44 0.00 0.00 34.13 31.31 2jql s GLU 45 CO -0.04 -0.96 0.56 -1.14 0.95 0.00 0.00 175.26 174.63 2jql s GLN 46 N -4.85 0.56 -0.20 -4.83 0.74 -0.94 -4.94 119.66 105.20 2jql s GLN 46 Ca 0.61 1.03 -0.06 0.00 0.05 0.00 0.00 55.36 57.00 2jql s GLN 46 Cb -0.08 0.08 -0.03 0.00 1.10 0.00 0.00 33.01 34.09 2jql s GLN 46 CO 0.40 -0.16 0.02 0.15 -0.55 0.00 0.00 175.29 175.16 2jql s LYS 47 N 1.57 3.69 -0.06 1.67 1.02 -1.26 -0.12 119.74 126.25 2jql s LYS 47 Ca -0.10 -0.48 0.05 0.00 0.02 0.00 0.00 55.97 55.46 2jql s LYS 47 Cb -0.07 -3.14 -0.02 0.00 -0.52 0.00 0.00 37.83 34.08 2jql s LYS 47 CO -0.17 0.03 -0.19 0.08 -0.92 0.00 0.00 175.35 174.18 2jql s VAL 48 N 0.98 2.59 -0.21 3.17 1.01 -0.25 -4.98 120.40 122.71 2jql s VAL 48 Ca 0.02 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 60.90 2jql s VAL 48 Cb -0.14 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 2jql s VAL 48 CO 0.02 0.58 0.67 -1.61 0.00 0.00 0.00 175.10 174.76 2jql s GLU 49 N -0.42 4.19 -0.18 2.72 2.02 -1.26 -1.56 118.70 124.21 2jql s GLU 49 Ca 0.04 0.68 -0.02 0.00 0.02 0.00 0.00 54.97 55.70 2jql s GLU 49 Cb -0.12 -3.60 -0.01 0.00 0.10 0.00 0.00 34.13 30.50 2jql s GLU 49 CO 0.02 -0.32 -0.09 -1.50 0.02 0.00 0.00 175.26 173.39 2jql s ILE 50 N 2.18 3.18 0.44 -1.63 2.07 -1.00 -5.00 121.20 121.44 2jql s ILE 50 Ca 0.30 -0.58 0.05 0.00 -1.41 0.00 0.00 60.65 59.00 2jql s ILE 50 Cb -0.16 -2.39 0.01 0.00 0.13 0.00 0.00 42.46 40.05 2jql s ILE 50 CO 0.10 0.48 0.61 0.42 -1.91 0.00 0.00 174.94 174.64 2jql s THR 51 N 0.95 3.28 -1.48 4.00 -4.23 -1.26 -3.05 115.64 113.86 2jql s THR 51 Ca -0.01 -0.85 -0.13 0.00 -1.18 0.00 0.00 61.69 59.52 2jql s THR 51 Cb -0.15 -3.15 0.03 0.00 1.34 0.00 0.00 72.50 70.57 2jql s THR 51 CO -0.00 -0.08 2.34 -0.46 -0.54 0.00 0.00 174.62 175.88 2jql n ASN 52 N -1.96 4.81 -0.11 3.99 2.04 -0.79 -4.64 115.26 118.60 2jql n ASN 52 Ca 0.05 -2.81 0.08 0.00 -0.44 0.00 0.00 54.58 51.46 2jql n ASN 52 Cb 0.59 -1.63 0.41 0.00 -2.53 0.00 0.00 39.78 36.62 2jql n ASN 52 CO 0.00 0.00 0.00 -1.14 -0.44 0.00 0.00 177.26 175.68 2jql n ARG 53 N 5.51 1.14 0.00 -3.83 0.63 -1.26 -4.81 116.66 114.04 2jql n ARG 53 Ca 0.56 -0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.27 2jql n ARG 53 Cb 0.36 -1.25 0.00 0.00 0.45 0.00 0.00 32.46 32.02 2jql n ARG 53 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2jql n ASN 54 N -0.51 0.00 -3.85 6.15 3.02 -0.85 -4.76 115.26 114.46 2jql n ASN 54 Ca 0.12 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.50 2jql n ASN 54 Cb 0.10 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.12 2jql n ASN 54 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jql s VAL 55 N 0.00 0.22 -0.10 2.41 1.01 -1.26 -2.04 120.40 120.65 2jql s VAL 55 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.01 2jql s VAL 55 Cb 0.00 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 36.12 2jql s VAL 55 CO 0.00 0.13 -0.16 -0.89 0.00 0.00 0.00 175.10 174.18 2jql s THR 56 N 0.70 1.52 -0.26 3.92 2.01 0.51 -4.90 115.64 119.14 2jql s THR 56 Ca -0.07 -0.68 -0.09 0.00 0.31 0.00 0.00 61.69 61.17 2jql s THR 56 Cb -0.10 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 2jql s THR 56 CO -0.01 0.44 0.11 0.42 -0.69 0.00 0.00 174.62 174.89 2jql s THR 57 N 0.79 4.64 -0.22 -0.82 -4.23 -1.26 0.11 115.64 114.64 2jql s THR 57 Ca -0.11 -0.09 -0.06 0.00 -1.18 0.00 0.00 61.69 60.26 2jql s THR 57 Cb -0.16 -3.20 -0.02 0.00 1.34 0.00 0.00 72.50 70.46 2jql s THR 57 CO 0.02 0.29 0.03 -0.63 -0.54 0.00 0.00 174.62 173.78 2jql s ILE 58 N 1.66 4.05 0.00 2.99 1.01 -0.58 0.20 121.20 130.53 2jql s ILE 58 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.45 2jql s ILE 58 Cb -0.16 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.45 2jql s ILE 58 CO 0.06 0.39 0.00 0.61 0.00 0.00 0.00 174.94 176.00 2jql n GLY 59 N 4.57 -0.87 0.07 6.18 0.00 -1.01 -2.73 105.19 111.40 2jql n GLY 59 Ca -0.17 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 1.44 -1.24 1.61 0.63 -1.14 -2.80 116.66 115.16 2jql n ARG 60 Ca 0.00 0.02 -0.37 0.00 -0.92 0.00 0.00 57.85 56.58 2jql n ARG 60 Cb 0.00 -1.34 0.04 0.00 0.45 0.00 0.00 32.46 31.61 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 -2.63 -2.71 0.07 6.15 2.88 -1.26 -4.89 113.62 111.23 2jql n SER 61 Ca -0.24 0.57 -0.10 0.00 -1.33 0.00 0.00 58.87 57.76 2jql n SER 61 Cb 0.90 -1.02 -0.01 0.00 -0.75 0.00 0.00 64.21 63.33 2jql n SER 61 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2jql h ARG 62 N -0.29 0.30 0.00 -1.46 3.08 -1.95 -3.08 114.38 110.98 2jql h ARG 62 Ca -0.44 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.31 2jql h ARG 62 Cb 1.38 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.51 2jql h ARG 62 CO 0.40 0.99 0.00 0.77 -1.07 0.00 0.00 179.97 181.06 2jql h SER 63 N 0.18 0.00 -3.08 7.04 0.02 -1.98 -3.45 113.55 112.29 2jql h SER 63 Ca -0.05 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.32 2jql h SER 63 Cb 1.47 0.00 0.12 0.00 0.14 0.00 0.00 62.40 64.12 2jql h SER 63 CO 0.14 0.00 0.34 0.00 -1.14 0.00 0.00 176.83 176.17 2jql h ASP 65 N 2.15 -0.33 -3.39 0.00 5.19 0.20 -3.43 116.42 116.82 2jql h ASP 65 Ca -0.44 -0.15 -0.65 0.00 -0.62 0.00 0.00 57.03 55.16 2jql h ASP 65 Cb 1.31 0.08 -0.21 0.00 0.18 0.00 0.00 39.33 40.70 2jql h ASP 65 CO 0.61 -0.02 -0.67 -0.69 -3.12 0.00 0.00 179.24 175.34 2jql s VAL 66 N -5.02 3.84 -0.41 -1.35 1.01 -0.26 -4.92 120.40 113.29 2jql s VAL 66 Ca -0.15 -0.39 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 2jql s VAL 66 Cb 0.03 -2.64 0.06 0.00 0.00 0.00 0.00 36.38 33.83 2jql s VAL 66 CO 0.58 0.53 0.25 0.27 0.00 0.00 0.00 175.10 176.73 2jql s ILE 67 N -0.02 4.40 0.00 2.22 -0.00 -1.26 -2.40 121.20 124.14 2jql s ILE 67 Ca 0.01 -1.21 0.00 0.00 -0.00 0.00 0.00 60.65 59.44 2jql s ILE 67 Cb -0.13 -3.61 0.00 0.00 -0.00 0.00 0.00 42.46 38.72 2jql s ILE 67 CO 0.03 -0.43 0.00 0.18 -0.00 0.00 0.00 174.94 174.72 2jql n LEU 68 N 4.96 0.00 0.00 0.37 7.99 -1.12 -4.97 117.00 124.23 2jql n LEU 68 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.89 2jql n LEU 68 Cb 0.44 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.75 2jql n LEU 68 CO 0.39 -0.02 0.00 -1.20 -1.51 0.00 0.00 177.39 175.05 2jql n SER 69 N 0.00 0.00 0.00 -1.43 7.64 -1.26 -4.99 113.62 113.58 2jql n SER 69 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jql n SER 69 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2jql n SER 69 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jql n GLU 70 N 0.00 0.00 0.19 1.43 -0.58 -1.26 -4.96 120.64 115.46 2jql n GLU 70 Ca 0.00 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.88 2jql n GLU 70 Cb 0.00 0.00 0.61 0.00 -0.57 0.00 0.00 31.44 31.48 2jql n GLU 70 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2jql h PRO 71 N 0.00 0.00 -0.24 3.49 0.13 -2.00 -3.15 132.00 130.23 2jql h PRO 71 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.91 2jql h PRO 71 Cb 0.00 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 30.76 2jql h PRO 71 CO 0.00 0.00 -1.02 -0.25 -0.23 0.00 0.00 178.00 176.50 2jql n ASP 72 N -2.49 1.58 -4.24 1.44 8.00 -1.26 -5.06 116.55 114.52 2jql n ASP 72 Ca 0.01 -2.28 -0.33 0.00 0.71 0.00 0.00 54.79 52.90 2jql n ASP 72 Cb 0.19 -0.40 -0.16 0.00 -0.02 0.00 0.00 41.12 40.74 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 -2.20 2.43 0.25 0.53 1.10 -1.19 -4.86 121.20 117.26 2jql s ILE 73 Ca 0.33 -0.86 -0.30 0.00 -0.51 0.00 0.00 60.65 59.30 2jql s ILE 73 Cb 0.36 -2.00 -0.11 0.00 0.15 0.00 0.00 42.46 40.86 2jql s ILE 73 CO -0.09 0.53 1.57 -0.44 -2.11 0.00 0.00 174.94 174.40 2jql s SER 74 N 0.74 6.47 0.22 4.50 0.01 -1.26 -3.90 113.70 120.48 2jql s SER 74 Ca -0.08 2.82 -0.07 0.00 1.31 0.00 0.00 55.95 59.94 2jql s SER 74 Cb -0.16 -2.62 0.33 0.00 0.21 0.00 0.00 66.02 63.78 2jql s SER 74 CO 0.01 -0.85 1.78 0.74 0.41 0.00 0.00 173.24 175.32 2jql h THR 75 N 3.57 0.85 -0.33 1.44 2.02 -1.91 -2.13 112.91 116.42 2jql h THR 75 Ca -0.46 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.52 2jql h THR 75 Cb 1.21 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2jql h THR 75 CO 0.83 0.11 0.00 2.22 0.37 0.00 0.00 175.52 179.05 2jql n PHE 76 N -4.86 0.67 0.00 3.16 1.16 -1.26 -4.00 117.46 112.33 2jql n PHE 76 Ca 0.11 -0.64 0.00 0.00 -1.87 0.00 0.00 57.45 55.05 2jql n PHE 76 Cb 0.27 -0.14 0.00 0.00 -1.61 0.00 0.00 39.48 38.00 2jql n PHE 76 CO 0.00 0.00 0.00 1.58 -1.87 0.00 0.00 176.76 176.47 2jql n HIS 77 N 0.18 0.00 -3.62 2.97 -0.00 -0.81 -4.51 115.22 109.42 2jql n HIS 77 Ca 0.16 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.23 2jql n HIS 77 Cb 0.61 -0.15 -0.04 0.00 -0.12 0.00 0.00 29.99 30.29 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 -2.56 -0.98 -0.06 1.57 0.00 -1.11 -3.16 121.76 115.47 2jql s ALA 78 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.00 2jql s ALA 78 Cb 0.00 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 2jql s ALA 78 CO 0.00 -0.66 -0.22 -1.21 0.00 0.00 0.00 175.76 173.67 2jql s GLU 79 N -3.80 2.31 -0.09 0.00 2.02 0.47 -1.53 118.70 118.08 2jql s GLU 79 Ca 0.03 -0.79 0.04 0.00 0.02 0.00 0.00 54.97 54.27 2jql s GLU 79 Cb 0.02 -1.95 -0.00 0.00 0.10 0.00 0.00 34.13 32.29 2jql s GLU 79 CO -0.12 0.32 -0.23 -0.06 0.02 0.00 0.00 175.26 175.18 2jql s PHE 80 N -0.05 2.56 -0.32 1.61 0.40 0.12 -1.12 117.98 121.17 2jql s PHE 80 Ca -0.05 -0.95 -0.15 0.00 -0.60 0.00 0.00 56.93 55.18 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 0.04 -0.36 0.35 -1.01 0.70 0.00 0.00 175.22 174.93 2jql s HIS 81 N 0.23 3.22 -0.37 0.36 3.76 -1.04 0.19 115.29 121.65 2jql s HIS 81 Ca -0.15 0.09 -0.10 0.00 -0.15 0.00 0.00 55.06 54.75 2jql s HIS 81 Cb -0.17 -2.62 0.04 0.00 1.11 0.00 0.00 32.58 30.94 2jql s HIS 81 CO 0.08 -0.36 0.18 -0.51 -0.85 0.00 0.00 174.74 173.28 2jql s LEU 82 N 2.00 4.64 -0.02 0.89 2.01 -0.87 -2.24 118.68 125.09 2jql s LEU 82 Ca 0.12 -1.08 0.07 0.00 0.01 0.00 0.00 54.13 53.25 2jql s LEU 82 Cb -0.16 -1.98 -0.02 0.00 0.01 0.00 0.00 46.19 44.04 2jql s LEU 82 CO 0.11 -0.38 -0.23 -0.22 1.01 0.00 0.00 176.35 176.64 2jql s LEU 83 N 1.50 2.04 -0.20 1.79 0.20 -1.15 -2.00 118.68 120.86 2jql s LEU 83 Ca 0.01 -0.42 -0.08 0.00 0.69 0.00 0.00 54.13 54.33 2jql s LEU 83 Cb -0.20 -1.20 -0.04 0.00 -0.43 0.00 0.00 46.19 44.32 2jql s LEU 83 CO 0.05 0.28 0.08 -1.10 -0.29 0.00 0.00 176.35 175.37 2jql s GLN 84 N -0.49 3.96 -0.15 1.98 -0.21 -1.26 -3.07 119.66 120.41 2jql s GLN 84 Ca 0.07 -0.35 -0.01 0.00 0.02 0.00 0.00 55.36 55.09 2jql s GLN 84 Cb -0.09 -3.28 -0.02 0.00 1.00 0.00 0.00 33.01 30.62 2jql s GLN 84 CO -0.00 0.19 -0.10 -1.64 -2.12 0.00 0.00 175.29 171.62 2jql s MET 85 N 0.61 3.45 -0.33 2.91 -1.94 0.02 -5.03 119.30 118.99 2jql s MET 85 Ca 0.04 -0.64 -0.25 0.00 -1.71 0.00 0.00 55.69 53.14 2jql s MET 85 Cb -0.13 -2.74 0.01 0.00 2.01 0.00 0.00 34.83 33.98 2jql s MET 85 CO 0.01 0.17 0.85 0.16 -0.01 0.00 0.00 175.02 176.21 2jql s ASP 86 N 0.48 6.68 -0.01 3.03 -4.77 -1.26 -1.51 116.67 119.31 2jql s ASP 86 Ca -0.07 0.65 0.01 0.00 -3.30 0.00 0.00 52.55 49.84 2jql s ASP 86 Cb -0.15 -2.44 -0.00 0.00 -1.09 0.00 0.00 42.92 39.24 2jql s ASP 86 CO 0.04 -0.72 -0.04 -0.69 0.70 0.00 0.00 175.17 174.46 2jql s VAL 87 N 3.18 0.34 0.85 2.11 1.01 -1.26 -4.93 120.40 121.71 2jql s VAL 87 Ca 0.35 -0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.02 2jql s VAL 87 Cb -0.13 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 35.96 2jql s VAL 87 CO 0.15 0.10 0.57 -0.67 0.00 0.00 0.00 175.10 175.25 2jql n ASP 88 N 3.08 -1.32 0.00 3.32 2.03 -1.26 -3.28 116.55 119.11 2jql n ASP 88 Ca -0.14 0.46 0.00 0.00 0.52 0.00 0.00 54.79 55.63 2jql n ASP 88 Cb 0.58 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 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 -1.27 0.00 -4.10 1.67 5.15 -1.26 -4.67 115.26 110.78 2jql n ASN 89 Ca 0.09 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.96 2jql n ASN 89 Cb 0.52 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.66 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 0.00 0.69 0.51 1.20 0.08 -1.21 -5.16 117.98 114.10 2jql s PHE 90 Ca 0.00 -0.72 -0.11 0.00 0.12 0.00 0.00 56.93 56.22 2jql s PHE 90 Cb 0.00 -0.42 -0.05 0.00 -0.57 0.00 0.00 43.02 41.98 2jql s PHE 90 CO 0.00 -0.15 0.91 -0.65 -0.10 0.00 0.00 175.22 175.22 2jql s GLN 91 N -2.66 3.71 -0.15 0.44 -0.21 -1.25 -3.98 119.66 115.56 2jql s GLN 91 Ca -0.01 0.62 0.00 0.00 0.02 0.00 0.00 55.36 55.99 2jql s GLN 91 Cb -0.02 -2.23 -0.00 0.00 1.00 0.00 0.00 33.01 31.75 2jql s GLN 91 CO -0.03 -0.30 -0.15 1.03 -2.12 0.00 0.00 175.29 173.73 2jql s ARG 92 N -4.51 3.24 -0.15 2.91 0.52 -0.57 -4.92 118.95 115.48 2jql s ARG 92 Ca 0.53 -0.74 -0.01 0.00 -0.52 0.00 0.00 55.73 55.00 2jql s ARG 92 Cb -0.10 -2.64 -0.01 0.00 0.52 0.00 0.00 34.95 32.71 2jql s ARG 92 CO 0.41 0.03 -0.11 -0.80 0.02 0.00 0.00 175.30 174.85 2jql s ASN 93 N 0.78 4.09 -0.10 0.23 -0.87 -1.26 -0.80 114.94 117.01 2jql s ASN 93 Ca -0.06 -0.33 0.03 0.00 -1.57 0.00 0.00 52.86 50.94 2jql s ASN 93 Cb -0.15 -1.64 0.01 0.00 -0.02 0.00 0.00 41.25 39.45 2jql s ASN 93 CO 0.01 0.14 -0.19 -0.76 -2.57 0.00 0.00 177.10 173.72 2jql s LEU 94 N 0.52 1.92 -0.01 0.60 1.02 -1.18 -4.92 118.68 116.63 2jql s LEU 94 Ca -0.08 -0.48 0.07 0.00 0.02 0.00 0.00 54.13 53.66 2jql s LEU 94 Cb -0.15 -1.22 -0.02 0.00 0.02 0.00 0.00 46.19 44.81 2jql s LEU 94 CO 0.04 0.09 -0.23 -0.63 0.02 0.00 0.00 176.35 175.64 2jql s ILE 95 N 0.61 2.36 0.01 -0.59 1.09 -1.13 -2.96 121.20 120.59 2jql s ILE 95 Ca -0.14 -1.07 0.05 0.00 -1.10 0.00 0.00 60.65 58.39 2jql s ILE 95 Cb -0.17 -1.87 -0.03 0.00 -1.06 0.00 0.00 42.46 39.33 2jql s ILE 95 CO 0.04 0.53 -0.13 0.21 -0.10 0.00 0.00 174.94 175.49 2jql s ASN 96 N -0.80 4.15 -0.20 3.58 3.84 -0.95 0.20 114.94 124.77 2jql s ASN 96 Ca 0.11 -0.28 -0.03 0.00 0.21 0.00 0.00 52.86 52.87 2jql s ASN 96 Cb -0.10 -0.83 -0.01 0.00 -0.55 0.00 0.00 41.25 39.77 2jql s ASN 96 CO 0.00 0.28 -0.08 -0.69 -2.79 0.00 0.00 177.10 173.82 2jql s VAL 97 N -0.93 3.16 -0.13 -5.21 1.01 0.17 -2.49 120.40 115.98 2jql s VAL 97 Ca 0.15 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2jql s VAL 97 Cb -0.11 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.89 2jql s VAL 97 CO 0.06 0.46 -0.12 -0.63 0.00 0.00 0.00 175.10 174.87 2jql s ILE 98 N 1.22 1.34 -0.11 2.22 1.01 -0.28 -2.96 121.20 123.64 2jql s ILE 98 Ca 0.02 -0.49 -0.00 0.00 0.00 0.00 0.00 60.65 60.18 2jql s ILE 98 Cb -0.14 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 2jql s ILE 98 CO -0.03 0.42 -0.09 1.51 0.00 0.00 0.00 174.94 176.75 2jql s ASP 99 N 1.48 4.39 -0.21 3.58 -4.77 -1.26 -0.39 116.67 119.49 2jql s ASP 99 Ca 0.03 -0.18 0.18 0.00 -3.30 0.00 0.00 52.55 49.28 2jql s ASP 99 Cb -0.13 -1.44 0.41 0.00 -1.09 0.00 0.00 42.92 40.67 2jql s ASP 99 CO -0.08 0.24 1.24 2.29 0.70 0.00 0.00 175.17 179.55 2jql n LYS 100 N 3.03 1.14 -4.52 2.11 2.85 -1.19 -5.03 118.16 116.55 2jql n LYS 100 Ca -0.18 -2.31 -0.26 0.00 -1.05 0.00 0.00 58.31 54.52 2jql n LYS 100 Cb 0.53 -0.51 -0.08 0.00 -0.65 0.00 0.00 35.03 34.31 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 -2.41 2.83 -0.27 -5.58 0.01 -1.24 -4.89 113.70 102.15 2jql s SER 101 Ca 0.20 -1.63 0.09 0.00 1.31 0.00 0.00 55.95 55.93 2jql s SER 101 Cb 0.33 0.41 0.47 0.00 0.21 0.00 0.00 66.02 67.45 2jql s SER 101 CO -0.08 -0.87 1.36 0.54 0.41 0.00 0.00 173.24 174.59 2jql n ARG 102 N -0.90 1.84 -0.04 12.44 3.00 -1.26 -4.60 116.66 127.14 2jql n ARG 102 Ca -0.06 -3.30 -0.05 0.00 -0.01 0.00 0.00 57.85 54.42 2jql n ARG 102 Cb 0.65 -1.77 -0.14 0.00 0.00 0.00 0.00 32.46 31.21 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 -1.10 0.49 0.00 0.55 4.13 -1.26 -5.07 115.26 113.00 2jql n ASN 103 Ca 0.29 0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.77 2jql n ASN 103 Cb 0.89 0.54 0.00 0.00 -1.54 0.00 0.00 39.78 39.67 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 1.56 0.87 3.21 7.41 0.00 -1.26 -4.37 105.19 112.60 2jql n GLY 104 Ca -0.20 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 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 2.27 -0.21 2.61 2.01 -1.26 -1.42 115.64 119.63 2jql s THR 105 Ca 0.00 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.11 2jql s THR 105 Cb 0.00 -1.92 0.04 0.00 0.01 0.00 0.00 72.50 70.63 2jql s THR 105 CO 0.00 0.54 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.97 2jql s PHE 106 N 0.77 2.87 -0.08 4.92 0.40 0.37 -4.32 117.98 122.92 2jql s PHE 106 Ca -0.07 -1.89 0.01 0.00 -0.60 0.00 0.00 56.93 54.37 2jql s PHE 106 Cb -0.16 -1.86 -0.03 0.00 0.51 0.00 0.00 43.02 41.49 2jql s PHE 106 CO -0.00 -0.82 -0.09 -1.50 0.70 0.00 0.00 175.22 173.51 2jql s ILE 107 N 1.24 3.50 -1.71 0.64 1.10 -0.90 0.59 121.20 125.66 2jql s ILE 107 Ca -0.02 -0.54 0.00 0.00 -0.51 0.00 0.00 60.65 59.58 2jql s ILE 107 Cb -0.16 -2.44 0.00 0.00 0.15 0.00 0.00 42.46 40.01 2jql s ILE 107 CO -0.09 0.57 0.00 0.59 -2.11 0.00 0.00 174.94 173.91 2jql n ASN 108 N 2.58 -5.29 0.00 4.50 5.03 0.31 -1.40 115.26 120.99 2jql n ASN 108 Ca -0.18 0.16 0.00 0.00 0.87 0.00 0.00 54.58 55.43 2jql n ASN 108 Cb 0.53 -4.37 0.00 0.00 -1.02 0.00 0.00 39.78 34.92 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 0.30 3.11 7.41 0.00 -1.26 -4.99 105.19 108.86 2jql n GLY 109 Ca -0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 2jql n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jql s ASN 110 N -2.02 1.17 0.16 1.61 2.20 -0.50 -5.12 114.94 112.43 2jql s ASN 110 Ca 0.00 -0.64 -0.30 0.00 -0.94 0.00 0.00 52.86 50.98 2jql s ASN 110 Cb 0.00 0.01 -0.08 0.00 -2.00 0.00 0.00 41.25 39.18 2jql s ASN 110 CO 0.00 -0.20 1.32 -0.60 -2.94 0.00 0.00 177.10 174.68 2jql s ARG 111 N -1.96 4.37 -0.10 3.55 3.52 -1.26 -2.13 118.95 124.94 2jql s ARG 111 Ca -0.04 2.03 -0.06 0.00 -0.13 0.00 0.00 55.73 57.53 2jql s ARG 111 Cb -0.08 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 30.04 2jql s ARG 111 CO 0.00 -0.31 0.15 -0.48 -0.81 0.00 0.00 175.30 173.85 2jql s LEU 112 N 0.40 4.39 -0.01 -0.88 2.34 -1.26 -4.95 118.68 118.70 2jql s LEU 112 Ca 0.59 0.45 0.00 0.00 0.06 0.00 0.00 54.13 55.24 2jql s LEU 112 Cb -0.36 -2.17 -0.01 0.00 -0.56 0.00 0.00 46.19 43.10 2jql s LEU 112 CO 0.35 0.38 -0.01 0.55 -1.06 0.00 0.00 176.35 176.56 2jql n VAL 113 N 1.80 0.08 -1.72 1.48 3.14 -1.26 -5.03 118.33 116.82 2jql n VAL 113 Ca -0.18 -0.03 -0.42 0.00 -2.96 0.00 0.00 64.34 60.75 2jql n VAL 113 Cb 0.55 -0.57 -0.03 0.00 -1.06 0.00 0.00 33.84 32.73 2jql n VAL 113 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2jql n LYS 114 N -2.52 2.78 0.18 1.45 5.02 -1.26 -4.87 118.16 118.94 2jql n LYS 114 Ca -0.02 1.00 0.14 0.00 -2.02 0.00 0.00 58.31 57.40 2jql n LYS 114 Cb 0.53 -2.84 0.51 0.00 -0.02 0.00 0.00 35.03 33.20 2jql n LYS 114 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2jql h LYS 115 N 6.50 0.00 -2.20 1.97 3.64 -1.96 -3.31 116.57 121.21 2jql h LYS 115 Ca -0.44 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.35 2jql h LYS 115 Cb 1.20 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 32.61 2jql h LYS 115 CO 0.93 0.00 -0.61 -0.25 -2.27 0.00 0.00 179.45 177.25 2jql n ASP 116 N -2.59 3.75 -4.75 4.20 8.00 -1.26 -4.35 116.55 119.56 2jql n ASP 116 Ca 0.02 -3.46 -0.40 0.00 0.71 0.00 0.00 54.79 51.67 2jql n ASP 116 Cb 0.32 -0.65 -0.05 0.00 -0.02 0.00 0.00 41.12 40.71 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 -2.58 3.88 -0.33 1.24 6.14 -1.15 -4.87 117.35 119.69 2jql s TYR 117 Ca 0.41 1.85 -0.14 0.00 0.64 0.00 0.00 57.07 59.84 2jql s TYR 117 Cb 0.17 -3.05 -0.02 0.00 0.42 0.00 0.00 41.96 39.47 2jql s TYR 117 CO -0.03 0.22 0.30 -1.50 0.64 0.00 0.00 175.55 175.17 2jql s ILE 118 N -0.98 5.23 -0.04 3.14 1.10 -1.26 -0.66 121.20 127.73 2jql s ILE 118 Ca 0.43 0.02 -0.02 0.00 -0.51 0.00 0.00 60.65 60.57 2jql s ILE 118 Cb -0.27 -3.73 -0.04 0.00 0.15 0.00 0.00 42.46 38.57 2jql s ILE 118 CO 0.33 0.01 0.10 -0.22 -2.11 0.00 0.00 174.94 173.05 2jql s LEU 119 N 1.88 4.02 0.36 8.50 0.20 0.13 -4.99 118.68 128.78 2jql s LEU 119 Ca 0.09 0.24 0.05 0.00 0.69 0.00 0.00 54.13 55.21 2jql s LEU 119 Cb -0.17 -2.23 -0.03 0.00 -0.43 0.00 0.00 46.19 43.34 2jql s LEU 119 CO 0.11 0.31 0.20 -0.54 -0.29 0.00 0.00 176.35 176.14 2jql s LYS 120 N -1.52 1.80 0.30 1.98 1.02 -1.26 -2.86 119.74 119.20 2jql s LYS 120 Ca 0.21 -2.06 -0.29 0.00 0.02 0.00 0.00 55.97 53.84 2jql s LYS 120 Cb -0.12 -0.09 -0.13 0.00 -0.52 0.00 0.00 37.83 36.98 2jql s LYS 120 CO 0.11 -0.56 1.35 0.27 -0.92 0.00 0.00 175.35 175.60 2jql n ASN 121 N -1.36 2.83 -1.05 2.83 6.94 -1.26 -3.06 115.26 121.12 2jql n ASN 121 Ca 0.01 1.18 -0.03 0.00 -0.02 0.00 0.00 54.58 55.72 2jql n ASN 121 Cb 0.64 -1.47 0.01 0.00 -2.36 0.00 0.00 39.78 36.60 2jql n ASN 121 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jql n GLY 122 N 1.36 0.62 3.35 4.83 0.00 0.27 -4.98 105.19 110.64 2jql n GLY 122 Ca 0.07 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.09 3.88 -0.32 1.61 1.11 -1.13 -4.96 116.67 113.77 2jql s ASP 123 Ca 0.06 -0.35 -0.10 0.00 0.18 0.00 0.00 52.55 52.34 2jql s ASP 123 Cb -0.03 -1.54 -0.00 0.00 1.07 0.00 0.00 42.92 42.42 2jql s ASP 123 CO 0.10 0.17 0.16 -0.13 1.18 0.00 0.00 175.17 176.65 2jql s ARG 124 N 0.29 3.26 -0.05 8.23 3.00 -1.26 -1.40 118.95 131.02 2jql s ARG 124 Ca -0.11 -0.77 0.05 0.00 0.00 0.00 0.00 55.73 54.90 2jql s ARG 124 Cb -0.16 -3.58 -0.02 0.00 0.00 0.00 0.00 34.95 31.19 2jql s ARG 124 CO 0.06 -0.45 -0.19 -1.50 0.00 0.00 0.00 175.30 173.22 2jql s ILE 125 N 1.60 2.63 -0.14 1.52 2.07 -0.77 -0.53 121.20 127.59 2jql s ILE 125 Ca 0.04 -0.87 0.01 0.00 -1.41 0.00 0.00 60.65 58.42 2jql s ILE 125 Cb -0.17 -2.00 -0.00 0.00 0.13 0.00 0.00 42.46 40.41 2jql s ILE 125 CO 0.06 0.58 -0.17 -0.69 -1.91 0.00 0.00 174.94 172.81 2jql s VAL 126 N -0.45 2.63 -0.10 4.00 1.01 0.20 -1.57 120.40 126.12 2jql s VAL 126 Ca 0.05 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.27 2jql s VAL 126 Cb -0.12 -2.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 2jql s VAL 126 CO 0.01 0.53 -0.23 -0.36 0.00 0.00 0.00 175.10 175.05 2jql s PHE 127 N 0.59 2.58 0.00 5.22 0.08 0.17 -0.47 117.98 126.14 2jql s PHE 127 Ca -0.10 -0.96 0.00 0.00 0.12 0.00 0.00 56.93 55.99 2jql s PHE 127 Cb -0.16 -1.71 0.00 0.00 -0.57 0.00 0.00 43.02 40.58 2jql s PHE 127 CO 0.03 -0.37 0.00 0.41 -0.10 0.00 0.00 175.22 175.19 2jql n GLY 128 N 3.45 1.69 2.10 4.36 0.00 -0.51 -2.44 105.19 113.84 2jql n GLY 128 Ca -0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 -0.81 0.00 1.61 5.02 -1.19 -4.77 118.16 116.01 2jql n LYS 129 Ca 0.00 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 2jql n LYS 129 Cb 0.00 -3.93 0.00 0.00 -0.02 0.00 0.00 35.03 31.08 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 0.80 0.00 -4.55 4.39 3.41 -1.25 -5.08 113.62 111.34 2jql n SER 130 Ca -0.05 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.13 2jql n SER 130 Cb 0.54 0.16 -0.05 0.00 -0.26 0.00 0.00 64.21 64.60 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 2.08 2.42 0.04 0.00 0.15 -1.26 0.45 113.70 117.59 2jql s SER 132 Ca 0.31 -0.38 -0.03 0.00 0.70 0.00 0.00 55.95 56.54 2jql s SER 132 Cb -0.12 -0.40 -0.02 0.00 -1.71 0.00 0.00 66.02 63.76 2jql s SER 132 CO 0.22 0.23 0.04 0.72 1.20 0.00 0.00 173.24 175.65 2jql s PHE 133 N -0.33 0.32 -0.08 3.44 -0.12 -0.61 -2.07 117.98 118.52 2jql s PHE 133 Ca 0.04 -0.71 -0.01 0.00 -0.05 0.00 0.00 56.93 56.20 2jql s PHE 133 Cb -0.09 -0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.04 2jql s PHE 133 CO 0.00 -0.35 -0.02 -1.17 -0.05 0.00 0.00 175.22 173.63 2jql s LEU 134 N -2.34 3.47 -0.04 -1.99 0.20 -0.42 -1.84 118.68 115.72 2jql s LEU 134 Ca -0.02 0.10 0.02 0.00 0.69 0.00 0.00 54.13 54.92 2jql s LEU 134 Cb 0.01 -1.78 -0.03 0.00 -0.43 0.00 0.00 46.19 43.96 2jql s LEU 134 CO -0.06 0.37 -0.07 0.12 -0.29 0.00 0.00 176.35 176.42 2jql s PHE 135 N -0.86 2.91 0.14 5.38 2.19 -0.49 -2.00 117.98 125.25 2jql s PHE 135 Ca 0.13 -0.01 -0.17 0.00 0.33 0.00 0.00 56.93 57.21 2jql s PHE 135 Cb -0.11 -1.67 0.04 0.00 -1.31 0.00 0.00 43.02 39.97 2jql s PHE 135 CO 0.02 0.34 0.44 0.21 1.83 0.00 0.00 175.22 178.06 2jql s LYS 136 N -1.04 1.14 0.14 10.12 2.20 -1.16 -0.57 119.74 130.56 2jql s LYS 136 Ca 0.14 -0.71 -0.24 0.00 -0.36 0.00 0.00 55.97 54.80 2jql s LYS 136 Cb -0.11 0.49 -0.08 0.00 -1.51 0.00 0.00 37.83 36.62 2jql s LYS 136 CO 0.04 -0.46 0.72 0.71 -0.36 0.00 0.00 175.35 176.00 2jql s TYR 137 N -3.81 3.88 -0.48 4.03 2.02 -1.26 -1.94 117.35 119.78 2jql s TYR 137 Ca 0.04 1.53 -0.18 0.00 -0.37 0.00 0.00 57.07 58.09 2jql s TYR 137 Cb 0.01 -2.69 0.05 0.00 -0.40 0.00 0.00 41.96 38.93 2jql s TYR 137 CO -0.11 0.53 0.53 0.00 -1.57 0.00 0.00 175.55 174.93 2jql s ALA 138 N -1.11 3.44 0.13 3.71 0.00 -1.03 -4.88 121.76 122.03 2jql s ALA 138 Ca 0.34 -1.76 0.11 0.00 0.00 0.00 0.00 51.96 50.65 2jql s ALA 138 Cb -0.22 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 2jql s ALA 138 CO 0.24 -1.84 -0.26 -1.12 0.00 0.00 0.00 175.76 172.78 2jql s SER 139 N 2.44 3.29 -0.01 0.00 0.01 -1.26 -4.79 113.70 113.38 2jql s SER 139 Ca 0.12 -0.76 -0.22 0.00 1.31 0.00 0.00 55.95 56.40 2jql s SER 139 Cb -0.20 -0.22 0.05 0.00 0.21 0.00 0.00 66.02 65.86 2jql s SER 139 CO 0.11 0.17 0.48 -0.44 0.41 0.00 0.00 173.24 173.97 2jql s SER 140 N -2.11 -0.40 0.51 2.44 0.01 -1.26 -5.18 113.70 107.71 2jql s SER 140 Ca 0.14 0.30 0.08 0.00 1.31 0.00 0.00 55.95 57.78 2jql s SER 140 Cb -0.10 0.43 0.05 0.00 0.21 0.00 0.00 66.02 66.62 2jql s SER 140 CO 0.06 -0.58 0.70 -0.44 0.41 0.00 0.00 173.24 173.40 2jql s SER 141 N -1.49 5.32 0.43 2.44 0.01 -1.26 -5.09 113.70 114.06 2jql s SER 141 Ca -0.10 -0.58 -0.23 0.00 1.31 0.00 0.00 55.95 56.35 2jql s SER 141 Cb -0.02 -0.22 -0.09 0.00 0.21 0.00 0.00 66.02 65.91 2jql s SER 141 CO 0.04 -1.10 1.07 -0.44 0.41 0.00 0.00 173.24 173.22 2jql s SER 142 N -4.51 6.58 0.19 2.44 0.01 -1.26 -4.92 113.70 112.22 2jql s SER 142 Ca 0.59 2.06 0.00 0.00 1.31 0.00 0.00 55.95 59.91 2jql s SER 142 Cb -0.08 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2jql s SER 142 CO 0.37 -0.62 0.00 0.35 0.41 0.00 0.00 173.24 173.75 2jql n THR 143 N -0.31 0.00 -2.48 1.44 -2.24 -1.26 -5.00 114.28 104.42 2jql n THR 143 Ca 0.06 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.81 2jql n THR 143 Cb 0.50 -0.31 0.06 0.00 -2.10 0.00 0.00 70.33 68.47 2jql n THR 143 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jql n ASP 144 N -3.01 -0.95 -1.84 3.42 2.03 -1.26 -4.93 116.55 110.00 2jql n ASP 144 Ca 0.00 -2.13 -0.06 0.00 0.52 0.00 0.00 54.79 53.13 2jql n ASP 144 Cb 0.00 0.43 0.29 0.00 -0.72 0.00 0.00 41.12 41.11 2jql n ASP 144 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2jql n ILE 145 N -0.93 2.87 -3.43 5.18 2.08 -1.26 -4.82 119.36 119.05 2jql n ILE 145 Ca -0.18 -1.78 -0.44 0.00 0.56 0.00 0.00 62.75 60.91 2jql n ILE 145 Cb 0.83 -0.35 -0.04 0.00 -0.75 0.00 0.00 39.64 39.33 2jql n ILE 145 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2jql s GLU 146 N -3.03 3.32 0.30 0.38 2.02 -1.26 -5.06 118.70 115.37 2jql s GLU 146 Ca 0.53 -2.47 -0.28 0.00 0.02 0.00 0.00 54.97 52.77 2jql s GLU 146 Cb 0.43 -4.24 -0.09 0.00 0.10 0.00 0.00 34.13 30.33 2jql s GLU 146 CO 0.12 -1.26 1.01 0.54 0.02 0.00 0.00 175.26 175.68 2jql s ASN 147 N 1.79 7.32 -0.30 -0.19 4.22 -1.26 -5.03 114.94 121.49 2jql s ASN 147 Ca 0.17 2.03 0.03 0.00 -2.14 0.00 0.00 52.86 52.95 2jql s ASN 147 Cb -0.13 -2.60 0.20 0.00 1.28 0.00 0.00 41.25 39.99 2jql s ASN 147 CO -0.07 -0.09 0.68 -0.62 -2.04 0.00 0.00 177.10 174.96 2jql s ASP 148 N -1.26 -1.39 0.38 3.54 -1.08 -1.26 -5.15 116.67 110.46 2jql s ASP 148 Ca 0.47 0.10 -0.26 0.00 -0.52 0.00 0.00 52.55 52.34 2jql s ASP 148 Cb -0.25 1.87 -0.09 0.00 -1.46 0.00 0.00 42.92 42.99 2jql s ASP 148 CO 0.32 -0.25 1.19 1.51 0.52 0.00 0.00 175.17 178.46 2jql s ASP 149 N 2.78 6.59 -0.09 -0.34 -4.77 -1.26 -4.99 116.67 114.59 2jql s ASP 149 Ca 0.14 2.40 -0.08 0.00 -3.30 0.00 0.00 52.55 51.71 2jql s ASP 149 Cb -0.08 -2.62 -0.03 0.00 -1.09 0.00 0.00 42.92 39.10 2jql s ASP 149 CO -0.24 -0.64 -0.15 -0.62 0.70 0.00 0.00 175.17 174.22 2jql n GLU 150 N 0.24 0.26 -2.25 2.11 1.02 -1.26 -4.98 120.64 115.78 2jql n GLU 150 Ca 0.03 0.18 -0.36 0.00 -0.02 0.00 0.00 57.16 56.99 2jql n GLU 150 Cb 0.46 -1.04 -0.00 0.00 -0.02 0.00 0.00 31.44 30.84 2jql n GLU 150 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2jql s LYS 151 N -1.88 3.55 0.00 3.49 -0.14 -1.26 -4.96 119.74 118.54 2jql s LYS 151 Ca -0.13 1.70 0.00 0.00 -1.36 0.00 0.00 55.97 56.18 2jql s LYS 151 Cb 0.02 -2.20 0.00 0.00 -1.68 0.00 0.00 37.83 33.97 2jql s LYS 151 CO 0.19 -0.71 0.00 1.33 -0.76 0.00 0.00 175.35 175.40 2jql n VAL 152 N -0.90 0.00 -1.44 3.17 0.24 -1.26 -5.15 118.33 112.98 2jql n VAL 152 Ca 0.10 0.00 0.19 0.00 -2.04 0.00 0.00 64.34 62.58 2jql n VAL 152 Cb 0.49 -0.68 -0.06 0.00 -1.47 0.00 0.00 33.84 32.13 2jql n VAL 152 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2jql n SER 153 N -2.43 -8.59 -0.06 -1.34 3.41 -1.26 -4.82 113.62 98.53 2jql n SER 153 Ca 0.00 0.86 -0.08 0.00 -0.26 0.00 0.00 58.87 59.40 2jql n SER 153 Cb 0.31 -4.57 -0.07 0.00 -0.26 0.00 0.00 64.21 59.62 2jql n SER 153 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2jql n SER 154 N -4.33 2.71 -3.97 4.04 2.88 -1.26 -5.03 113.62 108.65 2jql n SER 154 Ca -0.02 -0.05 -0.13 0.00 -1.33 0.00 0.00 58.87 57.35 2jql n SER 154 Cb 0.68 0.16 -0.13 0.00 -0.75 0.00 0.00 64.21 64.17 2jql n SER 154 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2jql s GLU 155 N -2.27 0.32 0.07 -1.46 2.56 -1.26 -5.06 118.70 111.60 2jql s GLU 155 Ca -0.13 -0.39 -0.25 0.00 0.00 0.00 0.00 54.97 54.19 2jql s GLU 155 Cb 0.04 -0.15 -0.16 0.00 2.00 0.00 0.00 34.13 35.85 2jql s GLU 155 CO 0.36 0.03 1.62 1.03 -0.56 0.00 0.00 175.26 177.75 2jql h SER 156 N 5.32 -0.18 -4.35 -1.70 0.87 -1.96 -3.44 113.55 108.12 2jql h SER 156 Ca -0.30 -0.06 -0.47 0.00 -1.23 0.00 0.00 61.79 59.73 2jql h SER 156 Cb 1.20 0.05 -0.23 0.00 -0.44 0.00 0.00 62.40 62.98 2jql h SER 156 CO 0.46 -0.05 -0.80 -0.13 -0.53 0.00 0.00 176.83 175.77 2jql s ARG 157 N -5.82 0.97 -0.35 2.24 0.52 -1.26 -5.12 118.95 110.14 2jql s ARG 157 Ca -0.14 -0.94 -0.01 0.00 -0.52 0.00 0.00 55.73 54.12 2jql s ARG 157 Cb 0.05 -1.05 0.12 0.00 0.52 0.00 0.00 34.95 34.59 2jql s ARG 157 CO 0.64 0.25 0.17 0.45 0.02 0.00 0.00 175.30 176.83 2jql s SER 158 N -1.54 3.51 0.00 0.23 0.15 -1.26 -5.18 113.70 109.61 2jql s SER 158 Ca 0.02 -1.95 0.00 0.00 0.70 0.00 0.00 55.95 54.72 2jql s SER 158 Cb -0.09 -0.65 0.00 0.00 -1.71 0.00 0.00 66.02 63.57 2jql s SER 158 CO 0.02 -0.36 0.22 -1.22 1.20 0.00 0.00 173.24 173.10