#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 1.52 -1.90 1.97 5.12 -1.26 -4.74 116.66 117.37 2jql n ARG 20 Ca 0.00 -3.16 -0.16 0.00 -1.93 0.00 0.00 57.85 52.60 2jql n ARG 20 Cb 0.00 -1.37 0.05 0.00 -1.16 0.00 0.00 32.46 29.98 2jql n ARG 20 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2jql n GLN 21 N -0.73 3.01 -4.39 5.56 3.00 -1.26 -5.05 117.38 117.53 2jql n GLN 21 Ca 0.19 -3.91 -0.19 0.00 -0.01 0.00 0.00 57.00 53.07 2jql n GLN 21 Cb 0.82 -2.05 -0.10 0.00 0.00 0.00 0.00 30.24 28.91 2jql n GLN 21 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2jql s GLN 22 N -3.49 1.52 0.37 -1.09 2.00 -1.26 -5.10 119.66 112.62 2jql s GLN 22 Ca 0.46 -1.82 0.00 0.00 -2.00 0.00 0.00 55.36 52.00 2jql s GLN 22 Cb 0.39 -0.70 0.00 0.00 0.80 0.00 0.00 33.01 33.51 2jql s GLN 22 CO 0.01 -0.18 0.00 0.54 -0.50 0.00 0.00 175.29 175.16 2jql n ARG 23 N -0.57 -2.99 -2.62 1.67 1.74 -1.26 -4.90 116.66 107.73 2jql n ARG 23 Ca -0.03 2.04 -0.22 0.00 -0.77 0.00 0.00 57.85 58.87 2jql n ARG 23 Cb 0.66 -3.63 0.06 0.00 -1.02 0.00 0.00 32.46 28.53 2jql n ARG 23 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2jql s SER 24 N -7.21 5.02 -0.22 0.55 0.01 -1.26 -5.12 113.70 105.48 2jql s SER 24 Ca 0.00 -0.10 -0.11 0.00 1.31 0.00 0.00 55.95 57.05 2jql s SER 24 Cb 0.00 -0.64 0.07 0.00 0.21 0.00 0.00 66.02 65.66 2jql s SER 24 CO 0.00 -1.34 0.51 0.21 0.41 0.00 0.00 173.24 173.03 2jql s ASN 25 N -4.51 -0.66 0.13 2.44 3.84 -1.26 -5.17 114.94 109.76 2jql s ASN 25 Ca 0.60 1.14 0.03 0.00 0.21 0.00 0.00 52.86 54.84 2jql s ASN 25 Cb -0.09 1.13 -0.04 0.00 -0.55 0.00 0.00 41.25 41.70 2jql s ASN 25 CO 0.40 -0.21 0.17 -0.54 -2.79 0.00 0.00 177.10 174.13 2jql s LYS 26 N 1.72 3.10 0.65 0.43 1.02 -1.26 -5.10 119.74 120.31 2jql s LYS 26 Ca -0.08 -0.71 -0.15 0.00 0.02 0.00 0.00 55.97 55.04 2jql s LYS 26 Cb -0.08 -2.79 -0.00 0.00 -0.52 0.00 0.00 37.83 34.44 2jql s LYS 26 CO -0.15 0.52 1.11 -1.25 -0.92 0.00 0.00 175.35 174.66 2jql s PRO 27 N -2.93 2.81 -0.71 -1.68 0.04 -1.26 -4.90 135.00 126.37 2jql s PRO 27 Ca 0.32 1.41 -0.26 0.00 0.04 0.00 0.00 61.00 62.52 2jql s PRO 27 Cb -0.11 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 2jql s PRO 27 CO 0.25 -1.25 2.03 -1.12 0.04 0.00 0.00 177.00 176.95 2jql s SER 28 N -2.52 4.96 -0.20 6.66 0.01 -1.26 -4.89 113.70 116.46 2jql s SER 28 Ca 0.67 0.09 -0.19 0.00 1.31 0.00 0.00 55.95 57.83 2jql s SER 28 Cb -0.21 -2.54 0.05 0.00 0.21 0.00 0.00 66.02 63.54 2jql s SER 28 CO 0.41 -2.73 0.54 -0.44 0.41 0.00 0.00 173.24 171.43 2jql s SER 29 N 8.97 -0.56 0.78 2.44 0.01 -1.26 -5.17 113.70 118.90 2jql s SER 29 Ca 0.75 1.08 -0.12 0.00 1.31 0.00 0.00 55.95 58.97 2jql s SER 29 Cb -0.11 1.09 0.06 0.00 0.21 0.00 0.00 66.02 67.27 2jql s SER 29 CO 0.13 -0.20 1.13 -0.70 0.41 0.00 0.00 173.24 174.01 2jql s GLU 30 N 0.23 2.24 0.19 12.44 -6.30 -1.26 -4.84 118.70 121.41 2jql s GLU 30 Ca -0.00 0.38 0.00 0.00 -2.50 0.00 0.00 54.97 52.84 2jql s GLU 30 Cb -0.04 -1.96 0.00 0.00 0.00 0.00 0.00 34.13 32.13 2jql s GLU 30 CO 0.01 -1.46 0.00 0.66 0.02 0.00 0.00 175.26 174.49 2jql n TYR 31 N -3.27 -4.58 -3.56 5.30 4.01 -1.26 -4.96 117.16 108.84 2jql n TYR 31 Ca 0.07 2.75 -0.36 0.00 -0.16 0.00 0.00 57.90 60.20 2jql n TYR 31 Cb 0.58 -3.56 -0.07 0.00 -0.31 0.00 0.00 39.34 35.98 2jql n TYR 31 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2jql s THR 32 N -0.49 5.30 0.05 -0.72 -4.23 -1.26 -4.84 115.64 109.45 2jql s THR 32 Ca 0.00 0.54 -0.30 0.00 -1.18 0.00 0.00 61.69 60.75 2jql s THR 32 Cb 0.00 -3.62 -0.09 0.00 1.34 0.00 0.00 72.50 70.13 2jql s THR 32 CO 0.00 0.42 1.96 0.00 -0.54 0.00 0.00 174.62 176.46 2jql n LEU 34 N 7.34 2.93 -4.20 0.00 4.77 -1.09 -4.55 117.00 122.20 2jql n LEU 34 Ca 0.20 -0.02 -0.17 0.00 -0.03 0.00 0.00 56.01 55.99 2jql n LEU 34 Cb 0.41 -0.16 -0.11 0.00 -2.33 0.00 0.00 43.42 41.23 2jql n LEU 34 CO 0.68 0.57 -0.44 -0.83 -1.33 0.00 0.00 177.39 176.04 2jql s GLY 35 N -4.43 0.95 0.30 -0.72 0.00 -1.09 0.89 107.32 103.23 2jql s GLY 35 Ca -0.06 -1.20 0.11 0.00 0.00 0.00 0.00 44.72 43.57 2jql s GLY 35 CO 0.11 -1.26 -0.13 0.30 0.00 0.00 0.00 173.10 172.12 2jql s HIS 36 N -2.08 2.38 -0.14 1.90 3.76 -0.07 0.95 115.29 121.99 2jql s HIS 36 Ca 0.06 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.60 2jql s HIS 36 Cb -0.05 -1.15 0.03 0.00 1.11 0.00 0.00 32.58 32.51 2jql s HIS 36 CO 0.02 0.65 -0.11 -0.51 -0.85 0.00 0.00 174.74 173.94 2jql s LEU 37 N -3.57 1.55 -0.25 0.89 1.43 0.31 -2.51 118.68 116.53 2jql s LEU 37 Ca 0.31 -0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 52.80 2jql s LEU 37 Cb -0.03 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 2jql s LEU 37 CO 0.16 -0.10 0.35 -0.69 0.23 0.00 0.00 176.35 176.31 2jql s VAL 38 N 1.57 5.21 -0.04 -1.59 1.01 -0.62 0.66 120.40 126.60 2jql s VAL 38 Ca 0.04 0.55 -0.19 0.00 0.00 0.00 0.00 61.98 62.38 2jql s VAL 38 Cb -0.13 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 2jql s VAL 38 CO -0.09 0.21 0.54 0.20 0.00 0.00 0.00 175.10 175.96 2jql s ASN 39 N 1.42 6.88 -0.30 3.32 -0.87 0.29 -0.80 114.94 124.87 2jql s ASN 39 Ca 0.15 1.04 0.01 0.00 -1.57 0.00 0.00 52.86 52.49 2jql s ASN 39 Cb -0.15 -2.33 0.07 0.00 -0.02 0.00 0.00 41.25 38.82 2jql s ASN 39 CO 0.09 0.09 -0.01 -0.76 -2.57 0.00 0.00 177.10 173.94 2jql s LEU 40 N -0.03 4.04 -0.02 0.60 1.43 0.12 -2.98 118.68 121.84 2jql s LEU 40 Ca 0.29 -1.57 0.06 0.00 -1.03 0.00 0.00 54.13 51.89 2jql s LEU 40 Cb -0.17 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 2jql s LEU 40 CO 0.15 -0.29 -0.22 -0.63 0.23 0.00 0.00 176.35 175.59 2jql s ILE 41 N 1.12 1.73 -0.87 -0.59 1.09 -1.20 -3.62 121.20 118.85 2jql s ILE 41 Ca -0.02 -0.92 -0.19 0.00 -1.10 0.00 0.00 60.65 58.41 2jql s ILE 41 Cb -0.20 -1.44 -0.22 0.00 -1.06 0.00 0.00 42.46 39.54 2jql s ILE 41 CO -0.04 0.49 2.31 -2.65 -0.10 0.00 0.00 174.94 174.95 2jql n PRO 42 N 2.66 0.34 -0.68 2.79 -0.02 -1.26 -0.76 135.00 138.06 2jql n PRO 42 Ca -0.16 -0.52 0.00 0.00 -2.02 0.00 0.00 63.50 60.80 2jql n PRO 42 Cb 0.52 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 2jql n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jql n GLY 43 N 6.30 0.96 0.00 -1.23 0.00 -1.26 -5.09 105.19 104.87 2jql n GLY 43 Ca 0.55 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.39 2jql n GLY 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jql n LYS 44 N -0.15 -2.10 -3.61 1.61 4.81 0.06 -5.18 118.16 113.59 2jql n LYS 44 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 2jql n LYS 44 Cb 0.14 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.13 2jql n LYS 44 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2jql s GLU 45 N -2.00 0.50 -0.11 1.64 -1.05 -1.26 -3.21 118.70 113.20 2jql s GLU 45 Ca 0.00 0.34 -0.08 0.00 -0.15 0.00 0.00 54.97 55.08 2jql s GLU 45 Cb 0.00 0.24 0.03 0.00 -0.44 0.00 0.00 34.13 33.96 2jql s GLU 45 CO 0.00 -0.11 0.28 -1.14 0.95 0.00 0.00 175.26 175.24 2jql s GLN 46 N -0.41 0.30 -0.21 -4.83 0.74 -1.16 -4.98 119.66 109.11 2jql s GLN 46 Ca 0.01 0.46 -0.06 0.00 0.05 0.00 0.00 55.36 55.82 2jql s GLN 46 Cb -0.03 0.07 -0.03 0.00 1.10 0.00 0.00 33.01 34.12 2jql s GLN 46 CO -0.03 -0.08 0.03 -1.59 -0.55 0.00 0.00 175.29 173.06 2jql s LYS 47 N 0.54 3.71 -0.21 1.67 -2.85 -1.26 0.11 119.74 121.45 2jql s LYS 47 Ca -0.03 -0.47 -0.01 0.00 -1.00 0.00 0.00 55.97 54.46 2jql s LYS 47 Cb -0.05 -3.16 0.01 0.00 -2.06 0.00 0.00 37.83 32.58 2jql s LYS 47 CO -0.03 0.04 -0.13 0.08 0.10 0.00 0.00 175.35 175.41 2jql s VAL 48 N 0.97 2.56 0.25 1.79 1.01 0.21 -4.94 120.40 122.26 2jql s VAL 48 Ca 0.03 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 2jql s VAL 48 Cb -0.14 -2.16 -0.09 0.00 0.00 0.00 0.00 36.38 33.98 2jql s VAL 48 CO 0.02 0.43 1.12 -1.83 0.00 0.00 0.00 175.10 174.84 2jql s GLU 49 N 1.34 4.60 -0.17 2.72 -1.05 -1.26 0.11 118.70 125.00 2jql s GLU 49 Ca 0.04 1.82 -0.01 0.00 -0.15 0.00 0.00 54.97 56.66 2jql s GLU 49 Cb -0.14 -3.20 -0.01 0.00 -0.44 0.00 0.00 34.13 30.33 2jql s GLU 49 CO -0.09 0.14 -0.11 0.42 0.95 0.00 0.00 175.26 176.58 2jql s ILE 50 N -0.88 3.06 0.38 1.83 -1.09 0.27 -4.87 121.20 119.90 2jql s ILE 50 Ca 0.46 -0.63 0.08 0.00 -2.23 0.00 0.00 60.65 58.33 2jql s ILE 50 Cb -0.32 -2.33 -0.02 0.00 -1.58 0.00 0.00 42.46 38.22 2jql s ILE 50 CO 0.40 0.49 0.39 0.42 -1.23 0.00 0.00 174.94 175.41 2jql s THR 51 N 0.86 3.18 -1.28 2.92 -4.23 -1.26 -2.66 115.64 113.17 2jql s THR 51 Ca -0.03 -1.25 -0.11 0.00 -1.18 0.00 0.00 61.69 59.12 2jql s THR 51 Cb -0.15 -3.11 -0.06 0.00 1.34 0.00 0.00 72.50 70.52 2jql s THR 51 CO 0.00 -0.08 2.43 -0.46 -0.54 0.00 0.00 174.62 175.98 2jql n ASN 52 N -1.55 5.82 -0.20 3.99 0.23 -1.25 -4.53 115.26 117.76 2jql n ASN 52 Ca 0.02 -2.57 0.12 0.00 -0.53 0.00 0.00 54.58 51.62 2jql n ASN 52 Cb 0.60 -1.39 0.62 0.00 -2.08 0.00 0.00 39.78 37.53 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 4.76 1.27 0.00 -3.83 0.63 -1.26 -4.89 116.66 113.35 2jql n ARG 53 Ca 0.60 -0.41 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 2jql n ARG 53 Cb 0.26 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 31.76 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 -0.44 0.00 -3.91 6.15 5.15 -0.83 -4.79 115.26 116.59 2jql n ASN 54 Ca 0.18 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 54.01 2jql n ASN 54 Cb 0.19 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.29 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 -0.13 3.44 1.01 -1.26 -1.82 120.40 121.91 2jql s VAL 55 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2jql s VAL 55 Cb 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 36.15 2jql s VAL 55 CO 0.00 0.09 -0.14 -0.89 0.00 0.00 0.00 175.10 174.16 2jql s THR 56 N 0.10 1.48 -0.23 3.92 2.01 0.50 -4.88 115.64 118.54 2jql s THR 56 Ca -0.01 -0.59 -0.08 0.00 0.31 0.00 0.00 61.69 61.32 2jql s THR 56 Cb -0.03 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 2jql s THR 56 CO -0.00 0.44 0.10 0.42 -0.69 0.00 0.00 174.62 174.88 2jql s THR 57 N 1.36 4.73 -0.25 -0.82 -4.23 -1.26 -0.03 115.64 115.13 2jql s THR 57 Ca 0.01 -0.04 -0.04 0.00 -1.18 0.00 0.00 61.69 60.45 2jql s THR 57 Cb -0.13 -3.19 0.01 0.00 1.34 0.00 0.00 72.50 70.52 2jql s THR 57 CO -0.08 0.36 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.73 2jql s ILE 58 N 1.19 3.40 -1.41 2.99 1.01 -0.62 0.11 121.20 127.86 2jql s ILE 58 Ca 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2jql s ILE 58 Cb -0.14 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.65 2jql s ILE 58 CO 0.04 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.83 2jql n GLY 59 N 4.78 -0.73 0.08 6.18 0.00 -1.00 -3.07 105.19 111.43 2jql n GLY 59 Ca -0.16 -0.40 -0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 0.65 -1.41 1.61 0.63 -1.24 -3.00 116.66 113.90 2jql n ARG 60 Ca 0.00 0.07 -0.38 0.00 -0.92 0.00 0.00 57.85 56.62 2jql n ARG 60 Cb 0.00 -1.67 0.03 0.00 0.45 0.00 0.00 32.46 31.27 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 -2.72 -1.64 0.03 6.15 2.88 -1.26 -4.90 113.62 112.15 2jql n SER 61 Ca -0.15 0.71 -0.18 0.00 -1.33 0.00 0.00 58.87 57.92 2jql n SER 61 Cb 0.87 -1.10 -0.08 0.00 -0.75 0.00 0.00 64.21 63.15 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 0.16 0.68 0.00 -1.46 -0.00 -1.97 -3.09 114.38 108.69 2jql h ARG 62 Ca -0.45 -0.66 0.00 0.00 -0.50 0.00 0.00 59.98 58.37 2jql h ARG 62 Cb 1.41 0.17 0.00 0.00 0.00 0.00 0.00 29.97 31.55 2jql h ARG 62 CO 0.46 1.26 0.00 0.45 0.00 0.00 0.00 179.97 182.14 2jql n SER 63 N -3.86 0.69 -4.65 7.04 2.88 -1.26 -4.82 113.62 109.64 2jql n SER 63 Ca -0.09 0.66 -0.45 0.00 -1.33 0.00 0.00 58.87 57.66 2jql n SER 63 Cb 0.83 -0.81 -0.02 0.00 -0.75 0.00 0.00 64.21 63.46 2jql n SER 63 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jql h ASP 65 N 3.22 0.80 -3.27 0.00 1.82 0.46 -3.41 116.42 116.03 2jql h ASP 65 Ca -0.44 -0.08 -0.60 0.00 -0.39 0.00 0.00 57.03 55.52 2jql h ASP 65 Cb 1.30 -0.20 -0.34 0.00 0.68 0.00 0.00 39.33 40.77 2jql h ASP 65 CO 0.68 0.64 -0.84 -0.69 -1.61 0.00 0.00 179.24 177.43 2jql s VAL 66 N -5.92 1.61 -0.22 2.25 1.01 0.69 -4.89 120.40 114.93 2jql s VAL 66 Ca -0.13 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.03 2jql s VAL 66 Cb 0.14 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 2jql s VAL 66 CO 0.78 0.46 0.13 0.27 0.00 0.00 0.00 175.10 176.75 2jql s ILE 67 N 0.90 5.27 0.00 2.22 -4.36 -1.26 -2.36 121.20 121.61 2jql s ILE 67 Ca -0.08 0.15 0.00 0.00 -0.26 0.00 0.00 60.65 60.46 2jql s ILE 67 Cb -0.15 -3.43 0.00 0.00 1.25 0.00 0.00 42.46 40.13 2jql s ILE 67 CO -0.01 0.39 0.00 0.18 0.24 0.00 0.00 174.94 175.75 2jql n LEU 68 N 3.95 0.00 -0.74 0.37 7.99 -1.16 -4.99 117.00 122.43 2jql n LEU 68 Ca -0.16 0.00 0.03 0.00 -0.01 0.00 0.00 56.01 55.87 2jql n LEU 68 Cb 0.52 0.00 0.04 0.00 -0.11 0.00 0.00 43.42 43.87 2jql n LEU 68 CO 0.36 -0.29 0.24 -1.54 -1.51 0.00 0.00 177.39 174.65 2jql n SER 69 N -1.74 0.67 -4.34 -1.43 3.41 -1.26 -5.02 113.62 103.92 2jql n SER 69 Ca 0.00 -2.25 -0.32 0.00 -0.26 0.00 0.00 58.87 56.03 2jql n SER 69 Cb 0.00 -0.28 -0.15 0.00 -0.26 0.00 0.00 64.21 63.52 2jql n SER 69 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2jql s GLU 70 N -0.55 3.02 0.22 4.33 -1.05 -1.26 -5.00 118.70 118.41 2jql s GLU 70 Ca 0.16 -0.77 0.18 0.00 -0.15 0.00 0.00 54.97 54.39 2jql s GLU 70 Cb 0.17 -2.43 0.87 0.00 -0.44 0.00 0.00 34.13 32.30 2jql s GLU 70 CO -0.05 0.30 1.54 -2.30 0.95 0.00 0.00 175.26 175.71 2jql n PRO 71 N 3.22 0.12 -1.01 -4.83 -0.02 -1.26 -2.02 135.00 129.21 2jql n PRO 71 Ca -0.18 0.53 -0.13 0.00 -2.02 0.00 0.00 63.50 61.69 2jql n PRO 71 Cb 0.53 -1.82 0.20 0.00 -0.02 0.00 0.00 33.50 32.38 2jql n PRO 71 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2jql n ASP 72 N -2.06 3.17 -4.69 2.55 8.00 -1.26 -4.97 116.55 117.29 2jql n ASP 72 Ca 0.00 -3.67 -0.39 0.00 0.71 0.00 0.00 54.79 51.43 2jql n ASP 72 Cb 0.09 -0.73 -0.06 0.00 -0.02 0.00 0.00 41.12 40.40 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 -3.26 5.07 0.19 0.53 1.10 -0.85 -5.03 121.20 118.94 2jql s ILE 73 Ca 0.51 1.19 -0.30 0.00 -0.51 0.00 0.00 60.65 61.53 2jql s ILE 73 Cb 0.44 -3.93 -0.09 0.00 0.15 0.00 0.00 42.46 39.03 2jql s ILE 73 CO 0.06 0.19 1.30 -0.44 -2.11 0.00 0.00 174.94 173.94 2jql s SER 74 N 0.98 6.91 0.48 4.50 0.01 -1.26 -4.19 113.70 121.13 2jql s SER 74 Ca 0.30 2.37 0.13 0.00 1.31 0.00 0.00 55.95 60.06 2jql s SER 74 Cb -0.16 -2.61 1.12 0.00 0.21 0.00 0.00 66.02 64.58 2jql s SER 74 CO 0.12 -0.52 2.12 0.74 0.41 0.00 0.00 173.24 176.10 2jql h THR 75 N 3.79 1.04 -0.27 1.44 2.02 -1.92 -1.65 112.91 117.37 2jql h THR 75 Ca -0.44 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.66 2jql h THR 75 Cb 1.21 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 2jql h THR 75 CO 0.78 0.04 0.00 0.49 0.37 0.00 0.00 175.52 177.19 2jql n PHE 76 N -4.52 0.58 -0.01 3.16 3.72 -1.26 -4.43 117.46 114.69 2jql n PHE 76 Ca -0.01 -0.66 -0.00 0.00 -0.05 0.00 0.00 57.45 56.73 2jql n PHE 76 Cb 0.08 -0.14 -0.00 0.00 -0.94 0.00 0.00 39.48 38.48 2jql n PHE 76 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2jql n HIS 77 N -0.03 -0.01 -3.74 1.38 -0.00 -0.62 -4.59 115.22 107.61 2jql n HIS 77 Ca 0.14 0.03 -0.10 0.00 -0.00 0.00 0.00 57.72 57.79 2jql n HIS 77 Cb 0.59 -0.16 -0.06 0.00 -0.00 0.00 0.00 29.99 30.36 2jql n HIS 77 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jql s ALA 78 N -3.43 -0.63 -0.04 1.57 0.00 -1.18 -2.95 121.76 115.10 2jql s ALA 78 Ca -0.00 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 51.78 2jql s ALA 78 Cb 0.00 0.50 0.01 0.00 0.00 0.00 0.00 23.12 23.63 2jql s ALA 78 CO 0.02 -0.52 -0.11 -1.21 0.00 0.00 0.00 175.76 173.93 2jql s GLU 79 N -3.40 1.32 -0.09 0.00 2.02 -0.89 -1.60 118.70 116.06 2jql s GLU 79 Ca 0.01 -0.37 0.04 0.00 0.02 0.00 0.00 54.97 54.67 2jql s GLU 79 Cb 0.02 -1.16 -0.00 0.00 0.10 0.00 0.00 34.13 33.08 2jql s GLU 79 CO -0.09 0.09 -0.23 -0.06 0.02 0.00 0.00 175.26 175.00 2jql s PHE 80 N 0.38 2.57 -0.33 1.61 0.40 0.95 -1.26 117.98 122.30 2jql s PHE 80 Ca -0.08 -0.94 -0.16 0.00 -0.60 0.00 0.00 56.93 55.15 2jql s PHE 80 Cb -0.12 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.69 2jql s PHE 80 CO 0.02 -0.36 0.42 -1.01 0.70 0.00 0.00 175.22 174.99 2jql s HIS 81 N 0.24 3.21 -0.36 0.36 3.76 -0.85 0.19 115.29 121.83 2jql s HIS 81 Ca -0.15 0.16 -0.09 0.00 -0.15 0.00 0.00 55.06 54.82 2jql s HIS 81 Cb -0.17 -2.73 0.04 0.00 1.11 0.00 0.00 32.58 30.82 2jql s HIS 81 CO 0.08 -0.42 0.17 -1.17 -0.85 0.00 0.00 174.74 172.55 2jql s LEU 82 N 2.16 4.60 -0.02 0.89 2.96 -0.75 -2.05 118.68 126.46 2jql s LEU 82 Ca 0.15 -1.08 0.07 0.00 -0.22 0.00 0.00 54.13 53.05 2jql s LEU 82 Cb -0.16 -1.96 -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 -0.12 -0.68 1.43 -1.16 -1.97 118.68 119.71 2jql s LEU 83 Ca 0.01 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 2jql s LEU 83 Cb -0.20 -1.20 0.01 0.00 0.03 0.00 0.00 46.19 44.83 2jql s LEU 83 CO 0.05 0.29 -0.23 -1.58 0.23 0.00 0.00 176.35 175.11 2jql s GLN 84 N -0.55 3.04 -0.01 1.70 -0.44 -1.26 -2.94 119.66 119.20 2jql s GLN 84 Ca 0.09 -0.86 -0.10 0.00 -2.50 0.00 0.00 55.36 51.99 2jql s GLN 84 Cb -0.09 -2.38 0.01 0.00 -1.64 0.00 0.00 33.01 28.91 2jql s GLN 84 CO -0.01 0.07 0.19 1.41 0.50 0.00 0.00 175.29 177.45 2jql s MET 85 N 0.61 0.53 -0.30 1.67 1.75 -1.07 -5.04 119.30 117.46 2jql s MET 85 Ca -0.12 -0.31 -0.09 0.00 -1.25 0.00 0.00 55.69 53.92 2jql s MET 85 Cb -0.17 0.23 -0.01 0.00 2.84 0.00 0.00 34.83 37.72 2jql s MET 85 CO 0.03 -0.13 0.13 0.16 -0.65 0.00 0.00 175.02 174.56 2jql s ASP 86 N -1.30 5.43 -0.11 1.11 -4.77 -1.26 -0.42 116.67 115.34 2jql s ASP 86 Ca -0.14 -0.52 0.01 0.00 -3.30 0.00 0.00 52.55 48.60 2jql s ASP 86 Cb -0.07 -1.97 -0.02 0.00 -1.09 0.00 0.00 42.92 39.77 2jql s ASP 86 CO 0.02 -0.18 -0.13 0.68 0.70 0.00 0.00 175.17 176.26 2jql s VAL 87 N 1.59 3.05 0.00 2.11 -7.23 -0.91 -4.77 120.40 114.25 2jql s VAL 87 Ca 0.04 -0.68 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 2jql s VAL 87 Cb -0.17 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 34.51 2jql s VAL 87 CO 0.05 0.54 0.00 -0.67 -0.31 0.00 0.00 175.10 174.71 2jql n ASP 88 N 3.22 0.00 0.00 4.85 2.03 -1.26 -3.16 116.55 122.23 2jql n ASP 88 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 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 0.59 -1.92 0.00 0.00 177.20 175.87 2jql n ASN 89 N 2.87 0.00 -4.89 1.67 3.02 -1.26 -5.15 115.26 111.52 2jql n ASN 89 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.26 2jql n ASN 89 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 2jql n ASN 89 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2jql s PHE 90 N -0.98 3.52 -0.08 3.10 0.08 -1.19 -5.02 117.98 117.41 2jql s PHE 90 Ca 0.00 0.95 -0.23 0.00 0.12 0.00 0.00 56.93 57.77 2jql s PHE 90 Cb 0.00 -2.39 -0.04 0.00 -0.57 0.00 0.00 43.02 40.03 2jql s PHE 90 CO 0.00 -0.20 0.69 -0.65 -0.10 0.00 0.00 175.22 174.96 2jql s GLN 91 N -4.28 4.42 -0.15 0.44 -0.21 -1.26 -2.14 119.66 116.48 2jql s GLN 91 Ca 0.50 0.85 0.00 0.00 0.02 0.00 0.00 55.36 56.73 2jql s GLN 91 Cb -0.10 -3.46 -0.00 0.00 1.00 0.00 0.00 33.01 30.45 2jql s GLN 91 CO 0.38 0.05 -0.16 0.50 -2.12 0.00 0.00 175.29 173.94 2jql s ARG 92 N 0.88 3.22 -0.19 2.91 3.00 0.43 -4.96 118.95 124.24 2jql s ARG 92 Ca 0.37 -0.75 -0.03 0.00 -1.00 0.00 0.00 55.73 54.31 2jql s ARG 92 Cb -0.17 -2.61 -0.02 0.00 0.00 0.00 0.00 34.95 32.15 2jql s ARG 92 CO 0.17 0.05 -0.05 -0.80 0.00 0.00 0.00 175.30 174.67 2jql s ASN 93 N 0.74 4.47 0.05 -2.12 -0.87 -1.26 -2.58 114.94 113.36 2jql s ASN 93 Ca -0.07 -0.29 0.08 0.00 -1.57 0.00 0.00 52.86 51.02 2jql s ASN 93 Cb -0.16 -1.75 -0.03 0.00 -0.02 0.00 0.00 41.25 39.30 2jql s ASN 93 CO 0.01 0.06 -0.23 -0.76 -2.57 0.00 0.00 177.10 173.62 2jql s LEU 94 N 0.98 2.37 -0.00 0.60 1.02 -1.15 -4.95 118.68 117.55 2jql s LEU 94 Ca 0.00 -0.53 0.05 0.00 0.02 0.00 0.00 54.13 53.67 2jql s LEU 94 Cb -0.15 -1.38 -0.01 0.00 0.02 0.00 0.00 46.19 44.67 2jql s LEU 94 CO 0.01 0.25 -0.17 -0.63 0.02 0.00 0.00 176.35 175.83 2jql s ILE 95 N -0.88 1.32 0.02 -0.59 1.09 -1.12 -2.99 121.20 118.05 2jql s ILE 95 Ca 0.13 -0.78 0.06 0.00 -1.10 0.00 0.00 60.65 58.96 2jql s ILE 95 Cb -0.10 -1.12 -0.03 0.00 -1.06 0.00 0.00 42.46 40.15 2jql s ILE 95 CO 0.04 0.32 -0.15 0.21 -0.10 0.00 0.00 174.94 175.25 2jql s ASN 96 N -0.54 3.97 -0.15 3.58 2.47 -0.87 0.11 114.94 123.52 2jql s ASN 96 Ca 0.06 -0.34 -0.01 0.00 0.42 0.00 0.00 52.86 53.00 2jql s ASN 96 Cb -0.07 -0.73 -0.01 0.00 -1.45 0.00 0.00 41.25 38.99 2jql s ASN 96 CO -0.00 0.28 -0.12 -0.69 -3.72 0.00 0.00 177.10 172.84 2jql s VAL 97 N -0.90 3.01 -0.14 -5.21 1.01 0.74 -2.01 120.40 116.90 2jql s VAL 97 Ca 0.15 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2jql s VAL 97 Cb -0.11 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 34.01 2jql s VAL 97 CO 0.05 0.51 -0.18 -0.63 0.00 0.00 0.00 175.10 174.85 2jql s ILE 98 N 0.59 1.78 -0.18 2.22 1.01 -0.39 -2.87 121.20 123.37 2jql s ILE 98 Ca -0.07 -0.79 -0.05 0.00 0.00 0.00 0.00 60.65 59.74 2jql s ILE 98 Cb -0.16 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 2jql s ILE 98 CO 0.03 0.50 -0.00 -1.81 0.00 0.00 0.00 174.94 173.65 2jql s ASP 99 N 1.16 5.00 -0.15 3.58 1.01 -1.26 -2.09 116.67 123.92 2jql s ASP 99 Ca -0.01 -0.10 0.12 0.00 0.71 0.00 0.00 52.55 53.27 2jql s ASP 99 Cb -0.14 -1.84 0.28 0.00 1.01 0.00 0.00 42.92 42.23 2jql s ASP 99 CO -0.07 0.14 1.23 2.29 0.21 0.00 0.00 175.17 178.97 2jql n LYS 100 N 3.76 0.71 -0.10 8.23 0.00 -1.19 -4.99 118.16 124.59 2jql n LYS 100 Ca -0.17 -1.58 0.00 0.00 -0.00 0.00 0.00 58.31 56.56 2jql n LYS 100 Cb 0.52 0.10 0.00 0.00 -0.00 0.00 0.00 35.03 35.65 2jql n LYS 100 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2jql n SER 101 N -0.54 0.00 -0.06 -5.58 7.64 -1.15 -4.78 113.62 109.14 2jql n SER 101 Ca -0.14 -0.88 -0.07 0.00 1.01 0.00 0.00 58.87 58.78 2jql n SER 101 Cb 0.84 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.97 2jql n SER 101 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jql n ARG 102 N -0.88 1.22 -0.07 1.43 1.74 -1.26 -4.75 116.66 114.09 2jql n ARG 102 Ca 0.00 0.04 -0.09 0.00 -0.77 0.00 0.00 57.85 57.03 2jql n ARG 102 Cb 0.00 -1.26 -0.07 0.00 -1.02 0.00 0.00 32.46 30.10 2jql n ARG 102 CO 0.00 0.00 0.00 -2.95 -1.52 0.00 0.00 177.63 173.16 2jql h ASN 103 N 0.00 0.00 -4.13 0.55 7.08 -1.96 -3.51 115.58 113.61 2jql h ASN 103 Ca -0.28 -0.52 0.00 0.00 -3.08 0.00 0.00 56.30 52.41 2jql h ASN 103 Cb 1.53 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.77 2jql h ASN 103 CO -0.02 0.86 0.00 0.61 -2.08 0.00 0.00 177.43 176.80 2jql n GLY 104 N 1.65 4.54 3.03 9.14 0.00 -1.26 -5.06 105.19 117.23 2jql n GLY 104 Ca -0.09 -1.29 -0.20 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.00 0.81 -0.03 2.61 2.01 -1.26 -2.84 115.64 114.93 2jql s THR 105 Ca 0.00 -0.42 0.07 0.00 0.31 0.00 0.00 61.69 61.65 2jql s THR 105 Cb 0.00 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 2jql s THR 105 CO 0.00 0.23 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.56 2jql s PHE 106 N -0.14 2.40 -0.04 4.92 0.40 0.66 -4.23 117.98 121.95 2jql s PHE 106 Ca 0.02 -0.49 0.06 0.00 -0.60 0.00 0.00 56.93 55.93 2jql s PHE 106 Cb -0.05 -1.54 -0.01 0.00 0.51 0.00 0.00 43.02 41.93 2jql s PHE 106 CO -0.00 -0.06 -0.22 -1.50 0.70 0.00 0.00 175.22 174.14 2jql s ILE 107 N -0.50 1.75 -1.70 0.64 1.10 0.00 0.93 121.20 123.42 2jql s ILE 107 Ca 0.07 -0.92 -0.01 0.00 -0.51 0.00 0.00 60.65 59.28 2jql s ILE 107 Cb -0.11 -1.47 0.00 0.00 0.15 0.00 0.00 42.46 41.03 2jql s ILE 107 CO 0.00 0.49 0.07 0.59 -2.11 0.00 0.00 174.94 173.99 2jql n ASN 108 N 2.82 -5.78 -0.14 4.50 5.03 0.51 -1.09 115.26 121.11 2jql n ASN 108 Ca -0.17 -0.05 -0.02 0.00 0.87 0.00 0.00 54.58 55.21 2jql n ASN 108 Cb 0.52 -4.77 -0.01 0.00 -1.02 0.00 0.00 39.78 34.50 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 -1.08 0.45 3.07 7.41 0.00 -1.26 -4.99 105.19 108.78 2jql n GLY 109 Ca -0.22 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.19 1.07 0.08 1.61 0.01 -0.25 -5.13 114.94 110.13 2jql s ASN 110 Ca 0.00 -0.42 -0.30 0.00 -0.71 0.00 0.00 52.86 51.43 2jql s ASN 110 Cb 0.00 -0.03 -0.06 0.00 0.41 0.00 0.00 41.25 41.57 2jql s ASN 110 CO 0.00 -0.06 1.16 0.00 -1.51 0.00 0.00 177.10 176.68 2jql s ARG 111 N -1.11 4.47 -0.05 -0.60 1.70 -1.26 -0.82 118.95 121.28 2jql s ARG 111 Ca -0.03 1.73 -0.04 0.00 -0.47 0.00 0.00 55.73 56.91 2jql s ARG 111 Cb -0.07 -3.34 -0.04 0.00 -0.57 0.00 0.00 34.95 30.92 2jql s ARG 111 CO 0.01 -0.18 0.16 -0.48 -1.08 0.00 0.00 175.30 173.73 2jql s LEU 112 N 0.78 4.36 -0.08 -1.89 2.34 -1.26 -4.93 118.68 117.99 2jql s LEU 112 Ca 0.56 0.39 0.06 0.00 0.06 0.00 0.00 54.13 55.20 2jql s LEU 112 Cb -0.29 -2.40 -0.09 0.00 -0.56 0.00 0.00 46.19 42.86 2jql s LEU 112 CO 0.30 0.32 0.00 1.33 -1.06 0.00 0.00 176.35 177.24 2jql n VAL 113 N 1.35 0.55 -1.03 1.48 0.24 -1.26 -5.00 118.33 114.65 2jql n VAL 113 Ca -0.14 -0.31 -0.28 0.00 -2.04 0.00 0.00 64.34 61.56 2jql n VAL 113 Cb 0.53 -0.81 0.19 0.00 -1.47 0.00 0.00 33.84 32.29 2jql n VAL 113 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2jql s LYS 114 N -2.19 0.08 -0.09 7.34 1.02 -1.26 -5.00 119.74 119.63 2jql s LYS 114 Ca -0.06 0.57 0.08 0.00 0.02 0.00 0.00 55.97 56.58 2jql s LYS 114 Cb 0.03 -1.69 -0.11 0.00 -0.52 0.00 0.00 37.83 35.53 2jql s LYS 114 CO 0.30 -2.98 0.03 1.63 -0.92 0.00 0.00 175.35 173.41 2jql n LYS 115 N -4.36 2.47 -2.87 1.68 4.01 -1.26 -4.74 118.16 113.10 2jql n LYS 115 Ca 0.05 -0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.42 2jql n LYS 115 Cb 0.57 -1.24 0.01 0.00 -0.51 0.00 0.00 35.03 33.86 2jql n LYS 115 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2jql n ASP 116 N -2.35 6.77 -4.77 4.39 5.75 -1.26 -4.18 116.55 120.90 2jql n ASP 116 Ca -0.15 -3.51 -0.39 0.00 -0.01 0.00 0.00 54.79 50.72 2jql n ASP 116 Cb 0.80 -1.24 -0.06 0.00 -1.03 0.00 0.00 41.12 39.59 2jql n ASP 116 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2jql s TYR 117 N -3.35 3.89 -0.28 2.11 6.14 -1.14 -4.92 117.35 119.80 2jql s TYR 117 Ca 0.34 1.62 -0.12 0.00 0.64 0.00 0.00 57.07 59.54 2jql s TYR 117 Cb 0.10 -2.78 -0.04 0.00 0.42 0.00 0.00 41.96 39.66 2jql s TYR 117 CO 0.02 0.48 0.25 -1.50 0.64 0.00 0.00 175.55 175.45 2jql s ILE 118 N -1.00 5.27 -0.06 3.14 -1.16 -1.26 -0.19 121.20 125.94 2jql s ILE 118 Ca 0.36 0.28 -0.03 0.00 -0.51 0.00 0.00 60.65 60.75 2jql s ILE 118 Cb -0.23 -3.59 -0.04 0.00 0.61 0.00 0.00 42.46 39.21 2jql s ILE 118 CO 0.26 0.21 0.09 -0.22 -2.81 0.00 0.00 174.94 172.47 2jql s LEU 119 N 1.86 4.04 0.39 8.50 0.20 0.31 -4.94 118.68 129.03 2jql s LEU 119 Ca 0.09 0.28 0.04 0.00 0.69 0.00 0.00 54.13 55.23 2jql s LEU 119 Cb -0.16 -2.14 -0.03 0.00 -0.43 0.00 0.00 46.19 43.43 2jql s LEU 119 CO 0.11 0.34 0.16 -0.54 -0.29 0.00 0.00 176.35 176.13 2jql s LYS 120 N -1.34 1.87 0.46 1.98 -0.14 -1.26 -2.79 119.74 118.53 2jql s LYS 120 Ca 0.19 -2.13 -0.24 0.00 -1.36 0.00 0.00 55.97 52.43 2jql s LYS 120 Cb -0.12 -0.37 -0.08 0.00 -1.68 0.00 0.00 37.83 35.58 2jql s LYS 120 CO 0.09 -0.52 1.32 0.27 -0.76 0.00 0.00 175.35 175.74 2jql n ASN 121 N -1.34 2.69 -2.42 2.83 0.23 -1.26 -3.30 115.26 112.69 2jql n ASN 121 Ca -0.03 1.07 -0.10 0.00 -0.53 0.00 0.00 54.58 54.99 2jql n ASN 121 Cb 0.64 -1.54 0.05 0.00 -2.08 0.00 0.00 39.78 36.86 2jql n ASN 121 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jql n GLY 122 N 0.76 -0.02 3.10 4.83 0.00 -0.27 -4.99 105.19 108.60 2jql n GLY 122 Ca 0.07 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.75 2.95 -0.25 1.61 1.11 -1.16 -4.99 116.67 112.20 2jql s ASP 123 Ca 0.03 -0.58 -0.14 0.00 0.18 0.00 0.00 52.55 52.04 2jql s ASP 123 Cb -0.01 -1.36 -0.04 0.00 1.07 0.00 0.00 42.92 42.57 2jql s ASP 123 CO 0.43 0.00 0.33 -0.13 1.18 0.00 0.00 175.17 176.99 2jql s ARG 124 N 1.22 4.07 -0.04 8.23 0.52 -1.26 -2.16 118.95 129.53 2jql s ARG 124 Ca 0.02 0.01 0.07 0.00 -0.52 0.00 0.00 55.73 55.31 2jql s ARG 124 Cb -0.14 -3.60 -0.01 0.00 0.52 0.00 0.00 34.95 31.72 2jql s ARG 124 CO -0.09 -0.15 -0.24 -1.50 0.02 0.00 0.00 175.30 173.34 2jql s ILE 125 N 1.66 1.96 -0.17 1.52 2.07 -0.10 -0.36 121.20 127.79 2jql s ILE 125 Ca 0.14 -1.04 -0.01 0.00 -1.41 0.00 0.00 60.65 58.33 2jql s ILE 125 Cb -0.15 -1.64 -0.01 0.00 0.13 0.00 0.00 42.46 40.79 2jql s ILE 125 CO 0.09 0.55 -0.12 -0.69 -1.91 0.00 0.00 174.94 172.86 2jql s VAL 126 N -0.38 2.92 0.10 4.00 1.01 0.26 -0.84 120.40 127.46 2jql s VAL 126 Ca 0.04 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.40 2jql s VAL 126 Cb -0.11 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 2jql s VAL 126 CO 0.01 0.50 -0.07 -0.36 0.00 0.00 0.00 175.10 175.18 2jql s PHE 127 N 0.88 2.83 0.00 5.22 0.08 0.32 -0.24 117.98 127.07 2jql s PHE 127 Ca -0.03 -0.11 0.00 0.00 0.12 0.00 0.00 56.93 56.91 2jql s PHE 127 Cb -0.15 -1.47 0.00 0.00 -0.57 0.00 0.00 43.02 40.83 2jql s PHE 127 CO -0.00 0.44 0.00 0.41 -0.10 0.00 0.00 175.22 175.97 2jql n GLY 128 N 0.67 0.86 0.00 4.36 0.00 -1.13 -2.57 105.19 107.38 2jql n GLY 128 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.04 1.61 2.85 -1.26 -4.67 118.16 116.65 2jql n LYS 129 Ca 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.21 2jql n LYS 129 Cb 0.00 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.34 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 3.35 -4.52 -5.58 3.41 -1.23 -4.97 113.62 104.09 2jql n SER 130 Ca 0.00 -0.03 -0.45 0.00 -0.26 0.00 0.00 58.87 58.13 2jql n SER 130 Cb 0.00 0.16 -0.05 0.00 -0.26 0.00 0.00 64.21 64.05 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 8.67 2.46 0.11 0.00 0.15 -1.24 0.12 113.70 123.97 2jql s SER 132 Ca 1.06 -0.42 0.04 0.00 0.70 0.00 0.00 55.95 57.33 2jql s SER 132 Cb -0.59 -0.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.72 2jql s SER 132 CO 0.40 0.13 -0.10 -0.36 1.20 0.00 0.00 173.24 174.51 2jql s PHE 133 N 0.30 1.12 -0.15 3.44 0.08 -0.02 0.12 117.98 122.86 2jql s PHE 133 Ca -0.12 -0.67 0.00 0.00 0.12 0.00 0.00 56.93 56.27 2jql s PHE 133 Cb -0.15 -0.60 0.03 0.00 -0.57 0.00 0.00 43.02 41.72 2jql s PHE 133 CO 0.05 0.02 -0.12 -1.17 -0.10 0.00 0.00 175.22 173.91 2jql s LEU 134 N -2.56 1.70 0.01 -0.37 0.20 0.02 -0.92 118.68 116.76 2jql s LEU 134 Ca 0.08 -0.54 -0.12 0.00 0.69 0.00 0.00 54.13 54.23 2jql s LEU 134 Cb -0.02 -1.11 -0.05 0.00 -0.43 0.00 0.00 46.19 44.58 2jql s LEU 134 CO 0.00 -0.09 0.37 0.12 -0.29 0.00 0.00 176.35 176.46 2jql s PHE 135 N 1.52 3.67 -0.04 5.38 5.36 -0.92 -1.59 117.98 131.36 2jql s PHE 135 Ca 0.03 0.87 -0.22 0.00 -0.96 0.00 0.00 56.93 56.65 2jql s PHE 135 Cb -0.14 -2.20 0.04 0.00 -0.34 0.00 0.00 43.02 40.39 2jql s PHE 135 CO -0.10 0.62 0.48 0.21 -1.46 0.00 0.00 175.22 174.97 2jql s LYS 136 N -1.34 0.83 0.16 10.12 2.20 -1.04 -1.11 119.74 129.55 2jql s LYS 136 Ca 0.26 0.05 -0.26 0.00 -0.36 0.00 0.00 55.97 55.66 2jql s LYS 136 Cb -0.15 0.38 -0.08 0.00 -1.51 0.00 0.00 37.83 36.47 2jql s LYS 136 CO 0.14 -0.24 0.79 0.71 -0.36 0.00 0.00 175.35 176.39 2jql s TYR 137 N -1.19 3.90 -0.16 4.03 2.02 -1.26 -0.89 117.35 123.78 2jql s TYR 137 Ca -0.12 1.64 0.03 0.00 -0.37 0.00 0.00 57.07 58.26 2jql s TYR 137 Cb -0.03 -2.79 -0.12 0.00 -0.40 0.00 0.00 41.96 38.62 2jql s TYR 137 CO 0.07 0.48 -0.11 0.00 -1.57 0.00 0.00 175.55 174.42 2jql n ALA 138 N 1.72 1.64 -3.09 3.71 0.00 0.26 -4.87 120.51 119.88 2jql n ALA 138 Ca -0.05 -0.76 -0.45 0.00 0.00 0.00 0.00 53.44 52.18 2jql n ALA 138 Cb 0.49 0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.96 2jql n ALA 138 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2jql s SER 139 N -5.46 6.19 0.01 0.00 0.01 0.19 -4.48 113.70 110.15 2jql s SER 139 Ca -0.20 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 55.62 2jql s SER 139 Cb 0.06 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 64.02 2jql s SER 139 CO 0.43 -0.97 0.00 -1.54 0.41 0.00 0.00 173.24 171.57 2jql n SER 140 N 5.91 -0.07 -3.73 2.44 3.41 -1.26 -4.95 113.62 115.37 2jql n SER 140 Ca -0.11 0.05 -0.26 0.00 -0.26 0.00 0.00 58.87 58.30 2jql n SER 140 Cb 0.42 0.18 -0.17 0.00 -0.26 0.00 0.00 64.21 64.39 2jql n SER 140 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2jql s SER 141 N -2.00 2.43 -0.40 4.04 0.01 -1.26 -5.08 113.70 111.44 2jql s SER 141 Ca 0.00 -0.57 -0.03 0.00 1.31 0.00 0.00 55.95 56.66 2jql s SER 141 Cb 0.00 -0.50 0.10 0.00 0.21 0.00 0.00 66.02 65.83 2jql s SER 141 CO 0.00 -0.28 0.19 -0.55 0.41 0.00 0.00 173.24 173.01 2jql s SER 142 N 1.93 5.24 0.34 2.44 0.15 -1.26 -5.08 113.70 117.46 2jql s SER 142 Ca 0.01 -1.94 -0.26 0.00 0.70 0.00 0.00 55.95 54.47 2jql s SER 142 Cb -0.15 -1.83 -0.10 0.00 -1.71 0.00 0.00 66.02 62.23 2jql s SER 142 CO -0.07 -0.52 0.97 0.28 1.20 0.00 0.00 173.24 175.10 2jql s THR 143 N 1.16 4.12 -0.16 6.45 -1.32 -1.26 -5.06 115.64 119.57 2jql s THR 143 Ca 0.07 1.71 -0.04 0.00 -1.21 0.00 0.00 61.69 62.22 2jql s THR 143 Cb -0.22 -3.93 0.07 0.00 -1.51 0.00 0.00 72.50 66.90 2jql s THR 143 CO -0.04 0.10 0.16 -0.62 -2.21 0.00 0.00 174.62 172.01 2jql s ASP 144 N -1.61 1.53 -0.21 8.08 2.15 -1.26 -5.00 116.67 120.34 2jql s ASP 144 Ca 0.52 -0.20 0.14 0.00 0.43 0.00 0.00 52.55 53.43 2jql s ASP 144 Cb -0.19 0.14 0.45 0.00 -0.30 0.00 0.00 42.92 43.02 2jql s ASP 144 CO 0.24 -0.31 1.35 -0.38 -0.17 0.00 0.00 175.17 175.90 2jql n ILE 145 N 5.31 2.29 -3.48 4.11 -0.00 -1.26 -4.88 119.36 121.44 2jql n ILE 145 Ca -0.06 -2.48 -0.42 0.00 -0.00 0.00 0.00 62.75 59.79 2jql n ILE 145 Cb 0.49 -0.27 -0.04 0.00 -0.00 0.00 0.00 39.64 39.82 2jql n ILE 145 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 2jql s GLU 146 N -3.05 3.36 0.13 0.38 2.12 -1.26 -5.05 118.70 115.32 2jql s GLU 146 Ca 0.40 -2.69 -0.31 0.00 0.36 0.00 0.00 54.97 52.73 2jql s GLU 146 Cb 0.36 -4.19 -0.09 0.00 0.26 0.00 0.00 34.13 30.46 2jql s GLU 146 CO 0.02 -1.25 1.47 -0.80 -0.54 0.00 0.00 175.26 174.16 2jql s ASN 147 N 1.35 6.72 -0.24 -1.70 -0.87 -1.26 -4.99 114.94 113.95 2jql s ASN 147 Ca 0.21 2.45 -0.16 0.00 -1.57 0.00 0.00 52.86 53.78 2jql s ASN 147 Cb -0.13 -2.59 -0.04 0.00 -0.02 0.00 0.00 41.25 38.48 2jql s ASN 147 CO -0.08 -0.73 0.41 -1.81 -2.57 0.00 0.00 177.10 172.32 2jql s ASP 148 N 1.19 6.36 -0.92 -1.22 1.11 -1.26 -5.02 116.67 116.91 2jql s ASP 148 Ca 0.67 0.43 -0.16 0.00 0.18 0.00 0.00 52.55 53.67 2jql s ASP 148 Cb -0.40 -2.23 0.18 0.00 1.07 0.00 0.00 42.92 41.54 2jql s ASP 148 CO 0.31 -0.17 1.01 -0.62 1.18 0.00 0.00 175.17 176.88 2jql s ASP 149 N 1.39 6.76 -0.16 0.27 -1.08 -1.26 -4.73 116.67 117.85 2jql s ASP 149 Ca 0.18 -2.46 0.04 0.00 -0.52 0.00 0.00 52.55 49.79 2jql s ASP 149 Cb -0.15 -2.31 -0.13 0.00 -1.46 0.00 0.00 42.92 38.87 2jql s ASP 149 CO 0.09 -0.80 -0.11 -0.62 0.52 0.00 0.00 175.17 174.25 2jql n GLU 150 N 5.25 0.75 -3.55 4.34 -0.58 -1.26 -4.97 120.64 120.62 2jql n GLU 150 Ca 0.21 0.07 -0.17 0.00 -0.42 0.00 0.00 57.16 56.85 2jql n GLU 150 Cb 0.47 -1.34 -0.13 0.00 -0.57 0.00 0.00 31.44 29.86 2jql n GLU 150 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2jql s LYS 151 N -2.34 0.16 -0.08 3.49 1.02 -1.26 -5.14 119.74 115.59 2jql s LYS 151 Ca -0.19 0.36 -0.16 0.00 0.02 0.00 0.00 55.97 55.99 2jql s LYS 151 Cb 0.05 -0.85 -0.05 0.00 -0.52 0.00 0.00 37.83 36.46 2jql s LYS 151 CO 0.43 -0.53 0.42 0.14 -0.92 0.00 0.00 175.35 174.89 2jql s VAL 152 N 2.34 5.14 1.03 3.17 -7.23 -1.26 -5.08 120.40 118.51 2jql s VAL 152 Ca 0.05 0.83 -0.13 0.00 -1.81 0.00 0.00 61.98 60.92 2jql s VAL 152 Cb -0.14 -3.74 0.20 0.00 0.56 0.00 0.00 36.38 33.26 2jql s VAL 152 CO -0.10 0.44 1.10 -0.55 -0.31 0.00 0.00 175.10 175.68 2jql s SER 153 N -0.12 2.37 -0.04 4.85 0.15 -1.26 -5.01 113.70 114.64 2jql s SER 153 Ca 0.23 1.05 0.23 0.00 0.70 0.00 0.00 55.95 58.16 2jql s SER 153 Cb -0.15 -1.64 0.40 0.00 -1.71 0.00 0.00 66.02 62.92 2jql s SER 153 CO 0.10 -3.27 1.15 -0.24 1.20 0.00 0.00 173.24 172.18 2jql n SER 154 N -4.25 0.85 0.06 5.45 2.88 -1.26 -4.95 113.62 112.40 2jql n SER 154 Ca 0.06 -2.01 0.00 0.00 -1.33 0.00 0.00 58.87 55.60 2jql n SER 154 Cb 0.58 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 2jql n SER 154 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2jql n GLU 155 N 0.26 0.00 -3.21 -1.46 2.13 -1.26 -5.13 120.64 111.96 2jql n GLU 155 Ca 0.02 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.89 2jql n GLU 155 Cb 1.05 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.73 2jql n GLU 155 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2jql s SER 156 N -3.56 -0.32 -0.26 4.31 0.15 -1.26 -5.14 113.70 107.63 2jql s SER 156 Ca 0.00 0.31 0.01 0.00 0.70 0.00 0.00 55.95 56.97 2jql s SER 156 Cb 0.00 1.31 0.07 0.00 -1.71 0.00 0.00 66.02 65.69 2jql s SER 156 CO 0.00 -0.06 -0.01 -0.13 1.20 0.00 0.00 173.24 174.24 2jql s ARG 157 N 2.58 1.39 0.29 5.44 1.81 -1.26 -5.11 118.95 124.10 2jql s ARG 157 Ca -0.02 -1.06 -0.09 0.00 -1.72 0.00 0.00 55.73 52.84 2jql s ARG 157 Cb -0.06 -2.53 -0.07 0.00 -0.45 0.00 0.00 34.95 31.84 2jql s ARG 157 CO -0.13 -0.70 0.62 -1.12 -0.68 0.00 0.00 175.30 173.28 2jql s SER 158 N 1.41 6.57 0.00 0.23 0.01 -1.26 -5.14 113.70 115.51 2jql s SER 158 Ca -0.01 0.94 0.00 0.00 1.31 0.00 0.00 55.95 58.19 2jql s SER 158 Cb -0.18 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2jql s SER 158 CO -0.09 -0.19 0.00 0.00 0.41 0.00 0.00 173.24 173.36