#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 1.85 -3.52 1.97 3.00 -1.26 -4.83 116.66 113.87 2jql n ARG 20 Ca 0.00 -3.20 -0.28 0.00 -0.01 0.00 0.00 57.85 54.36 2jql n ARG 20 Cb 0.00 -1.83 -0.11 0.00 0.00 0.00 0.00 32.46 30.51 2jql n ARG 20 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2jql s GLN 21 N -3.27 0.98 -0.18 5.56 -0.21 -1.26 -5.08 119.66 116.20 2jql s GLN 21 Ca 0.45 -1.91 -0.01 0.00 0.02 0.00 0.00 55.36 53.91 2jql s GLN 21 Cb 0.41 -1.73 0.05 0.00 1.00 0.00 0.00 33.01 32.74 2jql s GLN 21 CO -0.00 -1.27 -0.04 -1.14 -2.12 0.00 0.00 175.29 170.72 2jql s GLN 22 N 0.35 1.31 -0.04 2.91 0.74 -1.26 -5.12 119.66 118.56 2jql s GLN 22 Ca 0.24 -0.58 -0.27 0.00 0.05 0.00 0.00 55.36 54.80 2jql s GLN 22 Cb -0.12 -2.12 0.06 0.00 1.10 0.00 0.00 33.01 31.93 2jql s GLN 22 CO -0.08 -0.50 0.59 0.50 -0.55 0.00 0.00 175.29 175.25 2jql s ARG 23 N 1.63 0.97 -0.28 1.67 6.06 -1.26 -5.16 118.95 122.59 2jql s ARG 23 Ca -0.01 0.14 -0.04 0.00 -2.50 0.00 0.00 55.73 53.32 2jql s ARG 23 Cb -0.16 0.45 0.15 0.00 0.06 0.00 0.00 34.95 35.45 2jql s ARG 23 CO -0.07 -0.30 0.56 -1.54 -2.50 0.00 0.00 175.30 171.45 2jql s SER 24 N -1.24 -0.93 -0.38 -2.12 1.04 -1.26 -5.08 113.70 103.72 2jql s SER 24 Ca -0.11 0.96 -0.03 0.00 0.48 0.00 0.00 55.95 57.25 2jql s SER 24 Cb -0.01 1.94 0.22 0.00 0.10 0.00 0.00 66.02 68.27 2jql s SER 24 CO 0.08 -0.25 1.06 -3.20 0.98 0.00 0.00 173.24 171.91 2jql n ASN 25 N 5.42 -1.84 -3.70 7.02 5.15 -1.26 -5.11 115.26 120.95 2jql n ASN 25 Ca -0.05 -1.58 -0.30 0.00 -0.60 0.00 0.00 54.58 52.05 2jql n ASN 25 Cb 0.50 0.96 -0.13 0.00 -0.53 0.00 0.00 39.78 40.58 2jql n ASN 25 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2jql s LYS 26 N 0.77 1.17 0.42 1.20 1.02 -1.26 -5.12 119.74 117.94 2jql s LYS 26 Ca 0.26 -1.86 -0.26 0.00 0.02 0.00 0.00 55.97 54.13 2jql s LYS 26 Cb 0.13 -2.23 -0.10 0.00 -0.52 0.00 0.00 37.83 35.12 2jql s LYS 26 CO -0.10 -1.15 1.34 -2.30 -0.92 0.00 0.00 175.35 172.22 2jql n PRO 27 N 3.72 2.11 -2.73 -1.68 -0.02 -1.26 -4.96 135.00 130.18 2jql n PRO 27 Ca 0.08 0.75 -0.05 0.00 -2.02 0.00 0.00 63.50 62.26 2jql n PRO 27 Cb 0.35 -2.47 0.06 0.00 -0.02 0.00 0.00 33.50 31.41 2jql n PRO 27 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2jql n SER 28 N 0.18 0.88 -4.27 2.55 3.41 -1.26 -5.13 113.62 109.98 2jql n SER 28 Ca 0.05 -2.39 -0.28 0.00 -0.26 0.00 0.00 58.87 55.99 2jql n SER 28 Cb 0.40 -0.24 0.27 0.00 -0.26 0.00 0.00 64.21 64.38 2jql n SER 28 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2jql s SER 29 N -2.99 0.25 0.57 4.04 0.15 -1.26 -5.00 113.70 109.46 2jql s SER 29 Ca 0.25 1.40 -0.09 0.00 0.70 0.00 0.00 55.95 58.21 2jql s SER 29 Cb 0.40 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 62.53 2jql s SER 29 CO -0.02 -4.63 0.94 -1.83 1.20 0.00 0.00 173.24 168.90 2jql s GLU 30 N -4.50 3.54 0.00 5.44 -1.05 -1.26 -5.09 118.70 115.78 2jql s GLU 30 Ca 0.69 0.52 0.00 0.00 -0.15 0.00 0.00 54.97 56.02 2jql s GLU 30 Cb -0.24 -2.19 0.00 0.00 -0.44 0.00 0.00 34.13 31.26 2jql s GLU 30 CO 0.65 -0.45 0.00 0.66 0.95 0.00 0.00 175.26 177.06 2jql n TYR 31 N -2.57 0.00 -3.76 4.83 4.01 -1.26 -5.09 117.16 113.32 2jql n TYR 31 Ca 0.04 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.63 2jql n TYR 31 Cb 0.55 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.42 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 1.34 -0.06 -0.28 -0.72 2.01 -1.26 -5.03 115.64 111.63 2jql s THR 32 Ca 0.00 0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.94 2jql s THR 32 Cb 0.00 -0.10 -0.01 0.00 0.01 0.00 0.00 72.50 72.41 2jql s THR 32 CO 0.00 0.09 1.37 0.00 -0.69 0.00 0.00 174.62 175.40 2jql n LEU 34 N 7.82 0.82 -4.53 0.00 7.99 -1.10 -4.98 117.00 123.01 2jql n LEU 34 Ca 0.16 0.00 -0.25 0.00 -0.01 0.00 0.00 56.01 55.91 2jql n LEU 34 Cb 0.46 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.66 2jql n LEU 34 CO 0.63 0.06 -0.28 -0.83 -1.51 0.00 0.00 177.39 175.46 2jql s GLY 35 N -4.56 2.28 0.24 -0.72 0.00 -1.10 -1.81 107.32 101.65 2jql s GLY 35 Ca 0.00 -2.18 0.03 0.00 0.00 0.00 0.00 44.72 42.57 2jql s GLY 35 CO 0.00 -1.96 0.00 0.30 0.00 0.00 0.00 173.10 171.44 2jql s HIS 36 N -2.99 1.59 -0.17 1.90 3.76 -0.45 -0.08 115.29 118.85 2jql s HIS 36 Ca 0.36 -0.94 0.00 0.00 -0.15 0.00 0.00 55.06 54.33 2jql s HIS 36 Cb 0.09 -0.93 0.04 0.00 1.11 0.00 0.00 32.58 32.89 2jql s HIS 36 CO 0.17 -0.05 -0.09 -0.51 -0.85 0.00 0.00 174.74 173.41 2jql s LEU 37 N -3.32 1.81 -0.25 0.89 2.01 0.29 -3.06 118.68 117.05 2jql s LEU 37 Ca 0.29 -0.67 -0.15 0.00 0.01 0.00 0.00 54.13 53.62 2jql s LEU 37 Cb 0.06 -1.06 -0.04 0.00 0.01 0.00 0.00 46.19 45.16 2jql s LEU 37 CO 0.09 -0.14 0.35 -0.69 1.01 0.00 0.00 176.35 176.97 2jql s VAL 38 N 1.53 5.20 -0.33 -1.59 1.01 0.15 0.40 120.40 126.77 2jql s VAL 38 Ca 0.01 0.55 -0.21 0.00 0.00 0.00 0.00 61.98 62.34 2jql s VAL 38 Cb -0.15 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 2jql s VAL 38 CO -0.08 0.20 0.65 0.20 0.00 0.00 0.00 175.10 176.07 2jql s ASN 39 N 1.44 6.48 -0.50 3.32 -0.87 0.21 0.82 114.94 125.84 2jql s ASN 39 Ca 0.15 0.32 -0.21 0.00 -1.57 0.00 0.00 52.86 51.55 2jql s ASN 39 Cb -0.15 -2.34 0.04 0.00 -0.02 0.00 0.00 41.25 38.78 2jql s ASN 39 CO 0.09 -0.55 0.70 -0.76 -2.57 0.00 0.00 177.10 174.01 2jql s LEU 40 N 2.70 4.64 -0.01 0.60 1.02 -0.27 -3.00 118.68 124.37 2jql s LEU 40 Ca 0.26 -0.62 0.07 0.00 0.02 0.00 0.00 54.13 53.85 2jql s LEU 40 Cb -0.15 -2.61 -0.02 0.00 0.02 0.00 0.00 46.19 43.43 2jql s LEU 40 CO 0.13 -0.94 -0.21 -0.63 0.02 0.00 0.00 176.35 174.73 2jql s ILE 41 N 2.98 1.64 -0.98 -0.59 1.01 -1.12 -4.37 121.20 119.77 2jql s ILE 41 Ca 0.21 -0.94 -0.23 0.00 0.00 0.00 0.00 60.65 59.68 2jql s ILE 41 Cb -0.16 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 40.93 2jql s ILE 41 CO 0.16 0.42 1.70 -2.16 0.00 0.00 0.00 174.94 175.05 2jql s PRO 42 N -0.61 3.11 0.00 2.79 0.04 -1.26 -2.61 135.00 136.46 2jql s PRO 42 Ca 0.08 -0.79 0.00 0.00 0.04 0.00 0.00 61.00 60.33 2jql s PRO 42 Cb -0.08 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.23 2jql s PRO 42 CO -0.00 -2.80 0.00 0.41 0.04 0.00 0.00 177.00 174.65 2jql n GLY 43 N 6.78 1.70 0.00 0.56 0.00 -1.26 -5.10 105.19 107.87 2jql n GLY 43 Ca 0.37 0.00 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 -0.63 0.00 -3.84 1.61 4.81 -1.07 -5.18 118.16 113.85 2jql n LYS 44 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 2jql n LYS 44 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 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 0.53 -0.05 1.64 -1.05 -1.26 -2.81 118.70 113.70 2jql s GLU 45 Ca 0.00 -0.35 -0.04 0.00 -0.15 0.00 0.00 54.97 54.43 2jql s GLU 45 Cb 0.00 0.23 0.02 0.00 -0.44 0.00 0.00 34.13 33.94 2jql s GLU 45 CO 0.00 -0.13 0.13 -0.65 0.95 0.00 0.00 175.26 175.55 2jql s GLN 46 N -1.38 0.12 -0.19 -4.83 -0.21 -1.16 -5.00 119.66 107.01 2jql s GLN 46 Ca -0.15 0.22 -0.02 0.00 0.02 0.00 0.00 55.36 55.43 2jql s GLN 46 Cb -0.07 -0.01 -0.01 0.00 1.00 0.00 0.00 33.01 33.93 2jql s GLN 46 CO 0.02 -0.06 -0.08 0.21 -2.12 0.00 0.00 175.29 173.26 2jql s LYS 47 N 0.39 3.36 -0.06 2.91 2.20 -1.26 0.66 119.74 127.94 2jql s LYS 47 Ca -0.03 -0.65 0.02 0.00 -0.36 0.00 0.00 55.97 54.95 2jql s LYS 47 Cb -0.04 -2.87 -0.03 0.00 -1.51 0.00 0.00 37.83 33.38 2jql s LYS 47 CO -0.02 -0.07 -0.09 0.08 -0.36 0.00 0.00 175.35 174.89 2jql s VAL 48 N 1.11 3.50 0.07 4.02 1.01 0.16 -4.95 120.40 125.33 2jql s VAL 48 Ca 0.01 -0.56 -0.28 0.00 0.00 0.00 0.00 61.98 61.16 2jql s VAL 48 Cb -0.15 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 2jql s VAL 48 CO -0.02 0.60 0.88 -1.61 0.00 0.00 0.00 175.10 174.95 2jql s GLU 49 N -0.77 4.61 -0.13 2.72 8.01 -1.26 0.10 118.70 131.97 2jql s GLU 49 Ca 0.12 1.29 -0.01 0.00 0.01 0.00 0.00 54.97 56.37 2jql s GLU 49 Cb -0.11 -3.38 -0.02 0.00 -4.31 0.00 0.00 34.13 26.31 2jql s GLU 49 CO 0.01 0.22 -0.09 0.42 0.01 0.00 0.00 175.26 175.83 2jql s ILE 50 N 0.06 3.40 0.38 -1.63 -1.09 0.89 -4.84 121.20 118.36 2jql s ILE 50 Ca 0.44 -0.54 0.08 0.00 -2.23 0.00 0.00 60.65 58.39 2jql s ILE 50 Cb -0.22 -2.45 -0.03 0.00 -1.58 0.00 0.00 42.46 38.18 2jql s ILE 50 CO 0.27 0.52 0.28 0.42 -1.23 0.00 0.00 174.94 175.19 2jql s THR 51 N 0.25 2.85 0.00 2.92 -4.23 -1.26 -2.71 115.64 113.46 2jql s THR 51 Ca -0.06 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 2jql s THR 51 Cb -0.15 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.66 2jql s THR 51 CO 0.04 -0.07 0.00 -0.46 -0.54 0.00 0.00 174.62 173.59 2jql n ASN 52 N -1.37 0.00 0.00 3.99 0.23 -1.22 -4.84 115.26 112.05 2jql n ASN 52 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2jql n ASN 52 Cb 0.62 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.32 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 0.00 0.00 0.00 -3.83 0.63 -1.26 -3.90 116.66 108.30 2jql n ARG 53 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2jql n ARG 53 Cb 0.00 -2.99 0.00 0.00 0.45 0.00 0.00 32.46 29.92 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 0.00 0.00 -4.01 6.15 4.13 -0.84 -4.80 115.26 115.89 2jql n ASN 54 Ca 0.00 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.12 2jql n ASN 54 Cb 0.00 0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.11 2jql n ASN 54 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2jql s VAL 55 N 0.00 0.48 -0.06 2.41 1.01 -1.25 -1.69 120.40 121.30 2jql s VAL 55 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.35 2jql s VAL 55 Cb 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.89 2jql s VAL 55 CO 0.00 -0.14 -0.17 -0.89 0.00 0.00 0.00 175.10 173.90 2jql s THR 56 N -0.77 1.49 -0.17 3.92 2.01 0.53 -4.82 115.64 117.83 2jql s THR 56 Ca -0.04 -0.72 -0.05 0.00 0.31 0.00 0.00 61.69 61.19 2jql s THR 56 Cb -0.06 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 2jql s THR 56 CO 0.00 0.43 -0.01 0.42 -0.69 0.00 0.00 174.62 174.78 2jql s THR 57 N 0.27 4.17 -0.06 -0.82 -4.23 -1.26 -1.16 115.64 112.55 2jql s THR 57 Ca -0.10 -0.26 0.05 0.00 -1.18 0.00 0.00 61.69 60.20 2jql s THR 57 Cb -0.14 -2.85 -0.00 0.00 1.34 0.00 0.00 72.50 70.85 2jql s THR 57 CO 0.04 0.48 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.77 2jql s ILE 58 N 0.38 1.66 0.00 2.99 1.01 -0.76 0.12 121.20 126.60 2jql s ILE 58 Ca -0.02 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.80 2jql s ILE 58 Cb -0.14 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.91 2jql s ILE 58 CO 0.02 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.04 2jql n GLY 59 N 3.22 -0.55 0.00 6.18 0.00 -0.93 -2.73 105.19 110.38 2jql n GLY 59 Ca -0.19 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 2.03 -1.59 1.61 0.63 -1.23 -0.35 116.66 117.76 2jql n ARG 60 Ca 0.00 0.00 -0.49 0.00 -0.92 0.00 0.00 57.85 56.44 2jql n ARG 60 Cb 0.00 -0.87 -0.04 0.00 0.45 0.00 0.00 32.46 32.00 2jql n ARG 60 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2jql n SER 61 N -1.79 1.50 0.17 6.15 7.64 -1.26 -4.85 113.62 121.18 2jql n SER 61 Ca 0.00 1.14 0.04 0.00 1.01 0.00 0.00 58.87 61.06 2jql n SER 61 Cb 0.37 -1.22 0.45 0.00 -1.01 0.00 0.00 64.21 62.80 2jql n SER 61 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2jql h ARG 62 N 3.70 0.12 0.00 1.43 3.08 -1.98 -1.73 114.38 119.01 2jql h ARG 62 Ca -0.44 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.54 2jql h ARG 62 Cb 1.34 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 2jql h ARG 62 CO 0.72 0.27 -0.20 0.66 -1.07 0.00 0.00 179.97 180.35 2jql h SER 63 N 0.12 0.00 -3.94 7.04 4.64 -1.99 -3.45 113.55 115.96 2jql h SER 63 Ca 0.02 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.80 2jql h SER 63 Cb 0.32 0.00 0.19 0.00 -0.31 0.00 0.00 62.40 62.60 2jql h SER 63 CO 0.02 0.20 0.12 0.00 -0.87 0.00 0.00 176.83 176.29 2jql h ASP 65 N -0.88 -0.08 -3.73 0.00 1.82 0.55 -3.42 116.42 110.68 2jql h ASP 65 Ca -0.46 -0.30 -0.66 0.00 -0.39 0.00 0.00 57.03 55.22 2jql h ASP 65 Cb 1.31 0.02 -0.37 0.00 0.68 0.00 0.00 39.33 40.97 2jql h ASP 65 CO 0.44 0.27 -0.81 -0.69 -1.61 0.00 0.00 179.24 176.84 2jql s VAL 66 N -4.79 2.08 -0.17 2.25 1.01 0.22 -4.91 120.40 116.08 2jql s VAL 66 Ca -0.15 -1.49 -0.16 0.00 0.00 0.00 0.00 61.98 60.19 2jql s VAL 66 Cb 0.03 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2jql s VAL 66 CO 0.64 0.05 0.38 -0.63 0.00 0.00 0.00 175.10 175.54 2jql s ILE 67 N 1.16 5.23 0.63 2.22 1.09 -1.26 -2.18 121.20 128.09 2jql s ILE 67 Ca -0.07 0.70 -0.09 0.00 -1.10 0.00 0.00 60.65 60.10 2jql s ILE 67 Cb -0.19 -3.72 0.14 0.00 -1.06 0.00 0.00 42.46 37.64 2jql s ILE 67 CO -0.06 0.31 0.86 0.18 -0.10 0.00 0.00 174.94 176.12 2jql n LEU 68 N 4.02 0.00 -0.66 2.97 4.32 0.53 -4.96 117.00 123.22 2jql n LEU 68 Ca -0.09 -1.12 0.06 0.00 -0.02 0.00 0.00 56.01 54.84 2jql n LEU 68 Cb 0.51 -0.63 0.17 0.00 -1.62 0.00 0.00 43.42 41.85 2jql n LEU 68 CO 0.41 -1.07 0.34 -1.20 -1.22 0.00 0.00 177.39 174.64 2jql n SER 69 N -3.42 1.65 -4.70 -1.43 7.64 -1.26 -4.88 113.62 107.21 2jql n SER 69 Ca 0.11 -3.50 -0.35 0.00 1.01 0.00 0.00 58.87 56.14 2jql n SER 69 Cb 0.40 -0.48 -0.09 0.00 -1.01 0.00 0.00 64.21 63.03 2jql n SER 69 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2jql s GLU 70 N -2.67 3.83 0.22 1.43 2.56 -1.26 -4.98 118.70 117.83 2jql s GLU 70 Ca 0.36 -0.29 0.20 0.00 0.00 0.00 0.00 54.97 55.24 2jql s GLU 70 Cb 0.35 -3.21 0.91 0.00 2.00 0.00 0.00 34.13 34.18 2jql s GLU 70 CO -0.07 0.41 1.60 -0.35 -0.56 0.00 0.00 175.26 176.29 2jql n PRO 71 N 3.12 0.14 -1.97 4.30 -0.04 -1.26 -2.60 135.00 136.68 2jql n PRO 71 Ca -0.17 0.47 -0.16 0.00 -0.04 0.00 0.00 63.50 63.60 2jql n PRO 71 Cb 0.53 -1.82 0.05 0.00 -0.04 0.00 0.00 33.50 32.21 2jql n PRO 71 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2jql n ASP 72 N -2.09 3.94 -4.76 3.54 9.92 -1.26 -5.05 116.55 120.79 2jql n ASP 72 Ca 0.01 -3.45 -0.38 0.00 -0.53 0.00 0.00 54.79 50.43 2jql n ASP 72 Cb 0.14 -0.38 -0.06 0.00 -0.64 0.00 0.00 41.12 40.18 2jql n ASP 72 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 2jql s ILE 73 N -4.21 5.05 0.17 0.53 1.10 -1.07 -5.04 121.20 117.73 2jql s ILE 73 Ca 0.45 1.03 -0.31 0.00 -0.51 0.00 0.00 60.65 61.31 2jql s ILE 73 Cb 0.39 -3.83 -0.09 0.00 0.15 0.00 0.00 42.46 39.08 2jql s ILE 73 CO 0.01 0.42 1.42 -0.55 -2.11 0.00 0.00 174.94 174.13 2jql s SER 74 N -0.09 6.76 0.23 4.50 0.15 -1.26 -4.44 113.70 119.54 2jql s SER 74 Ca 0.27 2.46 -0.08 0.00 0.70 0.00 0.00 55.95 59.31 2jql s SER 74 Cb -0.17 -2.60 0.23 0.00 -1.71 0.00 0.00 66.02 61.77 2jql s SER 74 CO 0.13 -0.67 1.90 0.74 1.20 0.00 0.00 173.24 176.54 2jql h THR 75 N 3.97 1.19 -0.55 6.45 2.02 -1.91 -2.12 112.91 121.97 2jql h THR 75 Ca -0.43 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.35 2jql h THR 75 Cb 1.21 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2jql h THR 75 CO 0.84 0.21 0.00 0.49 0.37 0.00 0.00 175.52 177.43 2jql n PHE 76 N -4.50 1.13 0.00 3.16 3.72 -1.26 -4.12 117.46 115.59 2jql n PHE 76 Ca 0.10 -0.61 0.00 0.00 -0.05 0.00 0.00 57.45 56.89 2jql n PHE 76 Cb 0.04 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 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 0.86 0.00 -3.76 1.38 -0.00 -0.80 -4.57 115.22 108.33 2jql n HIS 77 Ca 0.22 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.84 2jql n HIS 77 Cb 0.76 -0.08 -0.04 0.00 -0.00 0.00 0.00 29.99 30.62 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 -2.61 -0.76 -0.03 1.57 0.00 -1.16 -4.09 121.76 114.67 2jql s ALA 78 Ca 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 51.67 2jql s ALA 78 Cb 0.00 0.83 0.01 0.00 0.00 0.00 0.00 23.12 23.95 2jql s ALA 78 CO 0.00 -0.75 -0.08 -1.83 0.00 0.00 0.00 175.76 173.10 2jql s GLU 79 N -3.88 0.92 -0.09 0.00 1.03 -1.10 -1.83 118.70 113.75 2jql s GLU 79 Ca 0.10 -0.25 0.04 0.00 0.03 0.00 0.00 54.97 54.89 2jql s GLU 79 Cb 0.00 -0.87 -0.00 0.00 -0.80 0.00 0.00 34.13 32.46 2jql s GLU 79 CO -0.04 0.06 -0.23 -0.06 -1.33 0.00 0.00 175.26 173.66 2jql s PHE 80 N 0.37 2.56 -0.33 4.83 0.40 -0.31 -2.15 117.98 123.36 2jql s PHE 80 Ca -0.06 -0.93 -0.17 0.00 -0.60 0.00 0.00 56.93 55.18 2jql s PHE 80 Cb -0.10 -1.70 -0.01 0.00 0.51 0.00 0.00 43.02 41.72 2jql s PHE 80 CO 0.01 -0.35 0.46 -1.01 0.70 0.00 0.00 175.22 175.02 2jql s HIS 81 N 0.23 3.20 -0.36 0.36 3.76 -0.94 0.20 115.29 121.73 2jql s HIS 81 Ca -0.15 0.20 -0.09 0.00 -0.15 0.00 0.00 55.06 54.87 2jql s HIS 81 Cb -0.17 -2.80 0.03 0.00 1.11 0.00 0.00 32.58 30.76 2jql s HIS 81 CO 0.07 -0.45 0.16 -1.17 -0.85 0.00 0.00 174.74 172.51 2jql s LEU 82 N 2.25 4.55 -0.02 0.89 2.96 -0.68 -1.81 118.68 126.83 2jql s LEU 82 Ca 0.17 -1.08 0.07 0.00 -0.22 0.00 0.00 54.13 53.07 2jql s LEU 82 Cb -0.16 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 2jql s LEU 82 CO 0.12 -0.36 -0.24 -0.76 -1.32 0.00 0.00 176.35 173.79 2jql s LEU 83 N 1.48 2.05 -0.17 -0.68 1.43 -1.17 -1.98 118.68 119.64 2jql s LEU 83 Ca 0.00 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.63 2jql s LEU 83 Cb -0.19 -1.24 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 2jql s LEU 83 CO 0.05 0.30 -0.03 -1.10 0.23 0.00 0.00 176.35 175.79 2jql s GLN 84 N -0.58 3.63 0.03 1.70 -0.21 -1.26 -3.06 119.66 119.91 2jql s GLN 84 Ca 0.09 -0.53 0.09 0.00 0.02 0.00 0.00 55.36 55.03 2jql s GLN 84 Cb -0.09 -2.95 -0.03 0.00 1.00 0.00 0.00 33.01 30.94 2jql s GLN 84 CO -0.01 0.15 -0.25 1.41 -2.12 0.00 0.00 175.29 174.47 2jql s MET 85 N 0.61 1.82 -0.30 2.91 1.75 -0.55 -4.96 119.30 120.58 2jql s MET 85 Ca -0.02 -1.03 -0.11 0.00 -1.25 0.00 0.00 55.69 53.28 2jql s MET 85 Cb -0.14 -1.92 -0.03 0.00 2.84 0.00 0.00 34.83 35.58 2jql s MET 85 CO 0.02 0.51 0.19 0.16 -0.65 0.00 0.00 175.02 175.25 2jql s ASP 86 N -1.03 5.88 -0.02 1.11 -4.77 -1.26 0.50 116.67 117.08 2jql s ASP 86 Ca 0.11 -0.25 -0.00 0.00 -3.30 0.00 0.00 52.55 49.11 2jql s ASP 86 Cb -0.10 -2.09 0.03 0.00 -1.09 0.00 0.00 42.92 39.67 2jql s ASP 86 CO 0.01 -0.13 0.03 -0.69 0.70 0.00 0.00 175.17 175.09 2jql s VAL 87 N 1.71 -0.05 -1.25 2.11 1.01 -0.58 -4.88 120.40 118.47 2jql s VAL 87 Ca 0.06 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 2jql s VAL 87 Cb -0.17 -0.08 0.00 0.00 0.00 0.00 0.00 36.38 36.14 2jql s VAL 87 CO 0.09 0.08 0.93 -0.67 0.00 0.00 0.00 175.10 175.53 2jql n ASP 88 N 4.07 -2.12 -2.09 3.32 2.03 -1.26 -1.48 116.55 119.01 2jql n ASP 88 Ca -0.26 -0.67 -0.16 0.00 0.52 0.00 0.00 54.79 54.21 2jql n ASP 88 Cb 0.51 -4.80 -0.03 0.00 -0.72 0.00 0.00 41.12 36.08 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 -3.10 -4.67 -2.81 1.67 2.85 -1.26 -4.93 115.26 103.01 2jql n ASN 89 Ca -0.27 0.20 -0.15 0.00 -0.11 0.00 0.00 54.58 54.26 2jql n ASN 89 Cb 0.66 -4.03 -0.04 0.00 1.24 0.00 0.00 39.78 37.61 2jql n ASN 89 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2jql n PHE 90 N -3.12 -0.02 -4.32 1.20 3.72 -0.55 -5.16 117.46 109.21 2jql n PHE 90 Ca -0.18 -1.59 -0.24 0.00 -0.05 0.00 0.00 57.45 55.39 2jql n PHE 90 Cb 0.61 0.03 -0.17 0.00 -0.94 0.00 0.00 39.48 39.01 2jql n PHE 90 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 2jql s GLN 91 N -2.91 1.38 -0.17 -1.08 -2.07 -1.26 -1.53 119.66 112.02 2jql s GLN 91 Ca 0.14 -0.28 -0.03 0.00 -1.82 0.00 0.00 55.36 53.37 2jql s GLN 91 Cb 0.01 -1.26 -0.02 0.00 -1.09 0.00 0.00 33.01 30.65 2jql s GLN 91 CO 0.10 -0.06 -0.05 1.03 -1.32 0.00 0.00 175.29 174.99 2jql s ARG 92 N 0.95 3.58 -0.23 9.60 3.00 0.18 -4.95 118.95 131.09 2jql s ARG 92 Ca -0.10 -0.56 -0.05 0.00 0.00 0.00 0.00 55.73 55.02 2jql s ARG 92 Cb -0.15 -2.90 -0.02 0.00 0.00 0.00 0.00 34.95 31.89 2jql s ARG 92 CO 0.00 0.15 -0.00 -0.80 0.00 0.00 0.00 175.30 174.65 2jql s ASN 93 N 0.58 4.59 -0.05 0.23 -0.87 -1.26 -1.48 114.94 116.68 2jql s ASN 93 Ca -0.03 -0.33 0.05 0.00 -1.57 0.00 0.00 52.86 50.98 2jql s ASN 93 Cb -0.15 -1.80 -0.01 0.00 -0.02 0.00 0.00 41.25 39.28 2jql s ASN 93 CO 0.03 -0.03 -0.20 -0.22 -2.57 0.00 0.00 177.10 174.11 2jql s LEU 94 N 1.53 1.97 -0.03 0.60 2.96 -1.17 -5.01 118.68 119.52 2jql s LEU 94 Ca 0.06 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.59 2jql s LEU 94 Cb -0.15 -1.13 -0.03 0.00 0.50 0.00 0.00 46.19 45.39 2jql s LEU 94 CO -0.01 0.19 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.44 2jql s ILE 95 N -0.04 3.13 0.02 6.68 1.09 -1.14 -3.04 121.20 127.91 2jql s ILE 95 Ca -0.04 -0.77 0.06 0.00 -1.10 0.00 0.00 60.65 58.80 2jql s ILE 95 Cb -0.12 -2.25 -0.03 0.00 -1.06 0.00 0.00 42.46 38.99 2jql s ILE 95 CO 0.03 0.54 -0.14 0.21 -0.10 0.00 0.00 174.94 175.47 2jql s ASN 96 N -0.89 4.05 -0.18 3.58 2.47 -0.75 0.12 114.94 123.34 2jql s ASN 96 Ca 0.12 -0.32 -0.01 0.00 0.42 0.00 0.00 52.86 53.08 2jql s ASN 96 Cb -0.11 -0.77 -0.00 0.00 -1.45 0.00 0.00 41.25 38.92 2jql s ASN 96 CO 0.02 0.28 -0.12 -0.69 -3.72 0.00 0.00 177.10 172.86 2jql s VAL 97 N -0.92 2.82 0.02 -5.21 1.01 0.21 -2.23 120.40 116.11 2jql s VAL 97 Ca 0.15 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.47 2jql s VAL 97 Cb -0.11 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2jql s VAL 97 CO 0.05 0.49 -0.14 -0.63 0.00 0.00 0.00 175.10 174.88 2jql s ILE 98 N 1.09 1.07 -0.04 2.22 1.09 -0.91 -2.83 121.20 122.88 2jql s ILE 98 Ca 0.00 -0.81 0.05 0.00 -1.10 0.00 0.00 60.65 58.79 2jql s ILE 98 Cb -0.14 -0.94 -0.02 0.00 -1.06 0.00 0.00 42.46 40.29 2jql s ILE 98 CO -0.03 0.12 -0.20 1.51 -0.10 0.00 0.00 174.94 176.24 2jql s ASP 99 N -0.79 3.54 -0.25 3.58 -4.77 -1.26 -2.70 116.67 114.02 2jql s ASP 99 Ca 0.03 -0.34 0.14 0.00 -3.30 0.00 0.00 52.55 49.07 2jql s ASP 99 Cb -0.07 -0.69 0.72 0.00 -1.09 0.00 0.00 42.92 41.80 2jql s ASP 99 CO 0.01 0.32 1.67 0.29 0.70 0.00 0.00 175.17 178.15 2jql n LYS 100 N 2.49 4.02 -3.08 2.11 4.76 -1.26 -4.98 118.16 122.23 2jql n LYS 100 Ca -0.17 -3.07 -0.07 0.00 -2.87 0.00 0.00 58.31 52.13 2jql n LYS 100 Cb 0.52 -2.14 0.01 0.00 -1.84 0.00 0.00 35.03 31.58 2jql n LYS 100 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2jql n SER 101 N 0.08 -7.49 -3.61 4.39 7.64 -1.26 -5.04 113.62 108.33 2jql n SER 101 Ca 0.29 0.05 -0.02 0.00 1.01 0.00 0.00 58.87 60.21 2jql n SER 101 Cb 1.16 -4.84 -0.05 0.00 -1.01 0.00 0.00 64.21 59.47 2jql n SER 101 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2jql s ARG 102 N -3.00 0.55 -0.09 1.43 1.81 -1.26 -4.91 118.95 113.47 2jql s ARG 102 Ca 0.10 1.26 0.00 0.00 -1.72 0.00 0.00 55.73 55.37 2jql s ARG 102 Cb -0.03 0.63 0.00 0.00 -0.45 0.00 0.00 34.95 35.10 2jql s ARG 102 CO 0.78 -0.17 0.00 0.09 -0.68 0.00 0.00 175.30 175.32 2jql n ASN 103 N 5.07 -4.80 -2.77 0.23 4.13 -1.26 -4.33 115.26 111.53 2jql n ASN 103 Ca -0.13 0.02 -0.04 0.00 1.68 0.00 0.00 54.58 56.11 2jql n ASN 103 Cb 0.52 -2.38 -0.03 0.00 -1.54 0.00 0.00 39.78 36.35 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 -0.63 -3.48 3.54 7.41 0.00 -1.26 -3.57 105.19 107.19 2jql n GLY 104 Ca -0.01 1.22 -0.36 0.00 0.00 0.00 0.00 46.02 46.86 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 -0.44 4.69 -0.09 2.61 2.01 -1.26 -2.52 115.64 120.63 2jql s THR 105 Ca -0.19 -0.05 -0.00 0.00 0.31 0.00 0.00 61.69 61.75 2jql s THR 105 Cb 0.01 -3.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.31 2jql s THR 105 CO 0.53 0.35 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.39 2jql s PHE 106 N 1.28 2.97 -0.04 4.92 0.08 0.54 -3.89 117.98 123.84 2jql s PHE 106 Ca 0.05 -0.07 0.06 0.00 0.12 0.00 0.00 56.93 57.09 2jql s PHE 106 Cb -0.15 -1.78 -0.01 0.00 -0.57 0.00 0.00 43.02 40.52 2jql s PHE 106 CO 0.04 0.24 -0.21 -1.50 -0.10 0.00 0.00 175.22 173.69 2jql s ILE 107 N -0.50 1.73 -1.52 0.64 1.10 -0.24 0.50 121.20 122.91 2jql s ILE 107 Ca 0.08 -0.91 0.00 0.00 -0.51 0.00 0.00 60.65 59.31 2jql s ILE 107 Cb -0.12 -1.46 0.00 0.00 0.15 0.00 0.00 42.46 41.03 2jql s ILE 107 CO 0.02 0.49 0.00 0.59 -2.11 0.00 0.00 174.94 173.93 2jql n ASN 108 N 2.83 -5.16 -0.05 4.50 5.03 0.18 -1.50 115.26 121.09 2jql n ASN 108 Ca -0.17 -0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.27 2jql n ASN 108 Cb 0.52 -4.24 -0.00 0.00 -1.02 0.00 0.00 39.78 35.04 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 -1.01 0.35 3.12 7.41 0.00 -1.26 -4.99 105.19 108.81 2jql n GLY 109 Ca -0.21 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.07 1.21 0.36 1.61 0.01 -0.56 -5.13 114.94 110.37 2jql s ASN 110 Ca 0.00 -0.66 -0.28 0.00 -0.71 0.00 0.00 52.86 51.20 2jql s ASN 110 Cb 0.00 0.01 -0.11 0.00 0.41 0.00 0.00 41.25 41.56 2jql s ASN 110 CO 0.00 -0.21 1.49 -0.13 -1.51 0.00 0.00 177.10 176.74 2jql s ARG 111 N -2.08 4.13 -0.23 -0.60 0.52 -1.26 -1.08 118.95 118.35 2jql s ARG 111 Ca -0.03 2.55 -0.20 0.00 -0.52 0.00 0.00 55.73 57.53 2jql s ARG 111 Cb -0.07 -2.98 -0.02 0.00 0.52 0.00 0.00 34.95 32.39 2jql s ARG 111 CO 0.00 -0.52 0.61 -1.17 0.02 0.00 0.00 175.30 174.24 2jql s LEU 112 N -1.83 4.10 -0.04 2.53 0.20 -1.25 -4.81 118.68 117.58 2jql s LEU 112 Ca 0.54 0.74 0.01 0.00 0.69 0.00 0.00 54.13 56.10 2jql s LEU 112 Cb -0.46 -2.84 -0.03 0.00 -0.43 0.00 0.00 46.19 42.43 2jql s LEU 112 CO 0.60 -0.31 -0.03 0.55 -0.29 0.00 0.00 176.35 176.87 2jql n VAL 113 N 4.96 0.22 -0.44 1.68 3.14 -1.26 -5.03 118.33 121.60 2jql n VAL 113 Ca -0.01 -0.09 -0.28 0.00 -2.96 0.00 0.00 64.34 60.99 2jql n VAL 113 Cb 0.49 -0.68 0.27 0.00 -1.06 0.00 0.00 33.84 32.86 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 -2.54 -2.86 -0.08 1.45 4.76 -1.26 -4.99 118.16 112.64 2jql n LYS 114 Ca -0.07 -0.81 -0.08 0.00 -2.87 0.00 0.00 58.31 54.48 2jql n LYS 114 Cb 0.58 -2.10 -0.11 0.00 -1.84 0.00 0.00 35.03 31.56 2jql n LYS 114 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2jql n LYS 115 N -4.98 1.41 -3.85 1.97 4.76 -1.26 -4.78 118.16 111.42 2jql n LYS 115 Ca 0.03 0.02 -0.28 0.00 -2.87 0.00 0.00 58.31 55.21 2jql n LYS 115 Cb 0.55 -1.37 -0.12 0.00 -1.84 0.00 0.00 35.03 32.25 2jql n LYS 115 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 2jql s ASP 116 N -4.98 4.49 0.15 4.39 -4.77 -1.26 -4.65 116.67 110.05 2jql s ASP 116 Ca -0.11 -3.79 -0.25 0.00 -3.30 0.00 0.00 52.55 45.10 2jql s ASP 116 Cb 0.05 -1.52 -0.08 0.00 -1.09 0.00 0.00 42.92 40.28 2jql s ASP 116 CO 0.56 -0.09 0.78 -0.47 0.70 0.00 0.00 175.17 176.64 2jql s TYR 117 N -1.32 3.89 -0.28 2.11 6.14 -1.13 -4.93 117.35 121.82 2jql s TYR 117 Ca 0.26 1.62 -0.13 0.00 0.64 0.00 0.00 57.07 59.46 2jql s TYR 117 Cb -0.03 -2.78 -0.04 0.00 0.42 0.00 0.00 41.96 39.52 2jql s TYR 117 CO -0.17 0.48 0.26 -1.50 0.64 0.00 0.00 175.55 175.26 2jql s ILE 118 N -1.01 5.26 -0.14 3.14 1.10 -1.26 -0.62 121.20 127.66 2jql s ILE 118 Ca 0.36 0.26 -0.06 0.00 -0.51 0.00 0.00 60.65 60.70 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 0.08 -0.22 -2.11 0.00 0.00 174.94 173.13 2jql s LEU 119 N 1.87 3.96 0.38 8.50 2.96 0.33 -4.93 118.68 131.75 2jql s LEU 119 Ca 0.10 0.22 0.05 0.00 -0.22 0.00 0.00 54.13 54.27 2jql s LEU 119 Cb -0.16 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 2jql s LEU 119 CO 0.11 0.29 0.17 -0.54 -1.32 0.00 0.00 176.35 175.06 2jql s LYS 120 N -0.33 1.86 0.30 1.98 1.02 -1.26 -2.88 119.74 120.43 2jql s LYS 120 Ca 0.09 -2.12 -0.30 0.00 0.02 0.00 0.00 55.97 53.67 2jql s LYS 120 Cb -0.12 -0.33 -0.12 0.00 -0.52 0.00 0.00 37.83 36.74 2jql s LYS 120 CO 0.02 -0.53 1.41 -1.71 -0.92 0.00 0.00 175.35 173.62 2jql n ASN 121 N -1.35 3.09 -1.49 2.83 5.15 -1.26 -3.03 115.26 119.20 2jql n ASN 121 Ca -0.02 1.17 -0.05 0.00 -0.60 0.00 0.00 54.58 55.08 2jql n ASN 121 Cb 0.64 -1.50 0.02 0.00 -0.53 0.00 0.00 39.78 38.41 2jql n ASN 121 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jql n GLY 122 N 1.52 0.38 3.28 8.20 0.00 0.59 -4.98 105.19 114.19 2jql n GLY 122 Ca 0.08 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.23 3.66 -0.20 1.61 1.11 -1.17 -4.96 116.67 113.48 2jql s ASP 123 Ca 0.07 -0.45 -0.22 0.00 0.18 0.00 0.00 52.55 52.13 2jql s ASP 123 Cb -0.03 -1.55 -0.02 0.00 1.07 0.00 0.00 42.92 42.39 2jql s ASP 123 CO 0.19 0.11 0.70 -0.13 1.18 0.00 0.00 175.17 177.22 2jql s ARG 124 N 0.65 4.21 -0.17 8.23 0.52 -1.26 -1.72 118.95 129.41 2jql s ARG 124 Ca -0.08 0.73 0.01 0.00 -0.52 0.00 0.00 55.73 55.87 2jql s ARG 124 Cb -0.16 -3.59 0.01 0.00 0.52 0.00 0.00 34.95 31.73 2jql s ARG 124 CO 0.02 -0.31 -0.20 0.42 0.02 0.00 0.00 175.30 175.25 2jql s ILE 125 N 2.14 2.14 -0.21 1.52 1.09 0.21 0.49 121.20 128.59 2jql s ILE 125 Ca 0.31 -0.93 -0.05 0.00 -1.10 0.00 0.00 60.65 58.88 2jql s ILE 125 Cb -0.16 -1.89 -0.02 0.00 -1.06 0.00 0.00 42.46 39.33 2jql s ILE 125 CO 0.10 0.54 0.01 -0.69 -0.10 0.00 0.00 174.94 174.80 2jql s VAL 126 N 1.12 4.02 -0.19 2.92 1.01 0.18 0.51 120.40 129.97 2jql s VAL 126 Ca 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 2jql s VAL 126 Cb -0.14 -2.83 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 2jql s VAL 126 CO -0.08 0.42 -0.10 -0.36 0.00 0.00 0.00 175.10 174.97 2jql s PHE 127 N 1.09 2.88 0.00 5.22 0.08 0.31 -0.34 117.98 127.22 2jql s PHE 127 Ca 0.03 -0.99 0.00 0.00 0.12 0.00 0.00 56.93 56.08 2jql s PHE 127 Cb -0.14 -2.00 0.00 0.00 -0.57 0.00 0.00 43.02 40.31 2jql s PHE 127 CO 0.02 -0.50 0.00 0.41 -0.10 0.00 0.00 175.22 175.04 2jql n GLY 128 N 4.41 1.99 0.00 4.36 0.00 -1.05 -3.21 105.19 111.69 2jql n GLY 128 Ca -0.19 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2jql n GLY 128 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jql n LYS 129 N 0.00 0.00 -0.05 1.61 5.02 -1.26 -4.59 118.16 118.88 2jql n LYS 129 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 2jql n LYS 129 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 2jql n LYS 129 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2jql n SER 130 N 0.00 3.07 -4.59 4.39 3.41 -1.26 -4.95 113.62 113.69 2jql n SER 130 Ca 0.00 -0.04 -0.42 0.00 -0.26 0.00 0.00 58.87 58.15 2jql n SER 130 Cb 0.00 0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 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 7.71 2.70 0.19 0.00 0.15 -1.26 0.11 113.70 123.30 2jql s SER 132 Ca 0.88 -0.49 0.10 0.00 0.70 0.00 0.00 55.95 57.13 2jql s SER 132 Cb -0.25 -1.20 -0.04 0.00 -1.71 0.00 0.00 66.02 62.82 2jql s SER 132 CO 0.32 -0.04 -0.19 -0.36 1.20 0.00 0.00 173.24 174.17 2jql s PHE 133 N 1.37 1.98 -0.03 3.44 0.08 0.18 -1.11 117.98 123.89 2jql s PHE 133 Ca 0.03 -0.44 0.06 0.00 0.12 0.00 0.00 56.93 56.70 2jql s PHE 133 Cb -0.13 -0.96 -0.02 0.00 -0.57 0.00 0.00 43.02 41.34 2jql s PHE 133 CO -0.09 0.42 -0.21 -1.17 -0.10 0.00 0.00 175.22 174.07 2jql s LEU 134 N -2.84 2.37 -0.06 -0.37 2.96 0.24 0.67 118.68 121.65 2jql s LEU 134 Ca 0.19 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 2jql s LEU 134 Cb -0.06 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 2jql s LEU 134 CO 0.08 0.33 0.02 0.12 -1.32 0.00 0.00 176.35 175.59 2jql s PHE 135 N -0.67 3.19 0.09 5.38 2.19 -0.70 0.29 117.98 127.75 2jql s PHE 135 Ca 0.11 0.20 -0.18 0.00 0.33 0.00 0.00 56.93 57.38 2jql s PHE 135 Cb -0.10 -1.77 0.04 0.00 -1.31 0.00 0.00 43.02 39.88 2jql s PHE 135 CO -0.00 0.50 0.44 0.15 1.83 0.00 0.00 175.22 178.13 2jql s LYS 136 N -1.13 1.03 0.13 10.12 1.02 -1.17 -0.30 119.74 129.44 2jql s LYS 136 Ca 0.16 -0.49 -0.23 0.00 0.02 0.00 0.00 55.97 55.43 2jql s LYS 136 Cb -0.11 0.46 -0.07 0.00 -0.52 0.00 0.00 37.83 37.58 2jql s LYS 136 CO 0.05 -0.39 0.70 0.71 -0.92 0.00 0.00 175.35 175.50 2jql s TYR 137 N -3.12 3.87 -0.66 3.18 2.02 -1.26 -1.34 117.35 120.04 2jql s TYR 137 Ca -0.01 1.50 0.06 0.00 -0.37 0.00 0.00 57.07 58.24 2jql s TYR 137 Cb 0.00 -2.66 0.23 0.00 -0.40 0.00 0.00 41.96 39.13 2jql s TYR 137 CO -0.07 0.54 0.67 0.00 -1.57 0.00 0.00 175.55 175.13 2jql n ALA 138 N 1.64 3.88 -0.84 3.71 0.00 -0.75 -4.86 120.51 123.28 2jql n ALA 138 Ca -0.07 -4.70 -0.32 0.00 0.00 0.00 0.00 53.44 48.34 2jql n ALA 138 Cb 0.49 -0.94 0.15 0.00 0.00 0.00 0.00 19.45 19.16 2jql n ALA 138 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jql n SER 139 N 1.17 0.53 -3.34 0.00 3.41 -1.26 -4.74 113.62 109.39 2jql n SER 139 Ca 0.27 0.48 -0.17 0.00 -0.26 0.00 0.00 58.87 59.20 2jql n SER 139 Cb 0.39 -1.48 -0.07 0.00 -0.26 0.00 0.00 64.21 62.79 2jql n SER 139 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2jql s SER 140 N -2.41 1.02 -0.06 4.04 1.04 -1.26 -5.02 113.70 111.05 2jql s SER 140 Ca 0.69 -1.69 -0.06 0.00 0.48 0.00 0.00 55.95 55.37 2jql s SER 140 Cb -0.25 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 2jql s SER 140 CO 0.55 -0.24 -0.12 -0.24 0.98 0.00 0.00 173.24 174.18 2jql n SER 141 N 4.08 0.66 -3.15 7.02 2.88 -1.26 -5.04 113.62 118.82 2jql n SER 141 Ca 0.13 0.11 0.04 0.00 -1.33 0.00 0.00 58.87 57.82 2jql n SER 141 Cb 0.46 -0.56 -0.01 0.00 -0.75 0.00 0.00 64.21 63.35 2jql n SER 141 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2jql s SER 142 N -4.71 -1.26 -0.18 -3.46 0.01 -1.26 -5.12 113.70 97.72 2jql s SER 142 Ca -0.10 0.54 -0.06 0.00 1.31 0.00 0.00 55.95 57.64 2jql s SER 142 Cb 0.01 1.96 0.08 0.00 0.21 0.00 0.00 66.02 68.28 2jql s SER 142 CO 0.14 -0.23 0.39 0.42 0.41 0.00 0.00 173.24 174.36 2jql s THR 143 N 2.87 -0.59 -1.29 1.44 -4.23 -1.26 -4.88 115.64 107.71 2jql s THR 143 Ca 0.15 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 2jql s THR 143 Cb -0.12 -0.62 0.00 0.00 1.34 0.00 0.00 72.50 73.10 2jql s THR 143 CO -0.21 0.08 0.00 0.47 -0.54 0.00 0.00 174.62 174.42 2jql n ASP 144 N 5.35 -4.42 -0.47 3.99 8.00 -1.26 -4.87 116.55 122.88 2jql n ASP 144 Ca -0.08 0.12 0.07 0.00 0.71 0.00 0.00 54.79 55.60 2jql n ASP 144 Cb 0.50 -3.42 0.14 0.00 -0.02 0.00 0.00 41.12 38.32 2jql n ASP 144 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2jql n ILE 145 N -3.49 1.65 -4.44 0.53 5.41 -1.26 -5.03 119.36 112.72 2jql n ILE 145 Ca -0.16 -2.31 -0.31 0.00 1.00 0.00 0.00 62.75 60.97 2jql n ILE 145 Cb 0.56 -0.04 -0.11 0.00 -0.71 0.00 0.00 39.64 39.34 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 -2.46 2.37 -0.11 0.38 2.12 -1.26 -5.12 118.70 114.62 2jql s GLU 146 Ca 0.31 -0.84 -0.05 0.00 0.36 0.00 0.00 54.97 54.75 2jql s GLU 146 Cb 0.30 -2.40 -0.04 0.00 0.26 0.00 0.00 34.13 32.25 2jql s GLU 146 CO -0.03 0.57 0.10 1.21 -0.54 0.00 0.00 175.26 176.56 2jql s ASN 147 N -1.63 6.02 -0.76 -1.70 2.47 -1.26 -5.06 114.94 113.03 2jql s ASN 147 Ca 0.18 0.36 -0.19 0.00 0.42 0.00 0.00 52.86 53.63 2jql s ASN 147 Cb -0.11 -1.88 0.12 0.00 -1.45 0.00 0.00 41.25 37.93 2jql s ASN 147 CO 0.09 0.39 0.93 -0.62 -3.72 0.00 0.00 177.10 174.17 2jql s ASP 148 N -0.94 6.41 -0.16 -4.21 -1.08 -1.26 -5.02 116.67 110.41 2jql s ASP 148 Ca 0.14 -1.70 -0.23 0.00 -0.52 0.00 0.00 52.55 50.25 2jql s ASP 148 Cb -0.12 -2.35 -0.02 0.00 -1.46 0.00 0.00 42.92 38.96 2jql s ASP 148 CO 0.03 -1.11 0.72 -0.62 0.52 0.00 0.00 175.17 174.71 2jql s ASP 149 N 3.49 6.85 0.40 -0.34 2.15 -1.26 -4.91 116.67 123.05 2jql s ASP 149 Ca 0.22 1.04 0.00 0.00 0.43 0.00 0.00 52.55 54.24 2jql s ASP 149 Cb -0.14 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 2jql s ASP 149 CO -0.00 -0.29 0.00 1.21 -0.17 0.00 0.00 175.17 175.92 2jql n GLU 150 N 4.84 -3.00 -0.00 4.34 0.00 -1.26 -4.75 120.64 120.81 2jql n GLU 150 Ca 0.01 2.09 -0.00 0.00 0.00 0.00 0.00 57.16 59.26 2jql n GLU 150 Cb 0.50 -3.63 -0.00 0.00 0.00 0.00 0.00 31.44 28.31 2jql n GLU 150 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2jql h LYS 151 N -1.36 -0.01 -0.65 5.31 1.63 -2.05 -3.49 116.57 115.95 2jql h LYS 151 Ca -0.02 0.00 0.23 0.00 -0.85 0.00 0.00 60.65 60.01 2jql h LYS 151 Cb 1.33 0.00 -0.31 0.00 -0.60 0.00 0.00 32.23 32.66 2jql h LYS 151 CO 0.03 -0.00 0.67 0.54 -3.45 0.00 0.00 179.45 177.23 2jql s VAL 152 N -1.16 -0.02 -0.37 2.00 0.11 -1.26 -5.13 120.40 114.57 2jql s VAL 152 Ca -0.00 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 2jql s VAL 152 Cb 0.00 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.96 2jql s VAL 152 CO 0.00 0.00 0.10 -0.44 -3.33 0.00 0.00 175.10 171.44 2jql s SER 153 N 1.46 4.87 -0.35 3.54 0.01 -1.26 -5.04 113.70 116.92 2jql s SER 153 Ca -0.04 -2.19 0.01 0.00 1.31 0.00 0.00 55.95 55.03 2jql s SER 153 Cb -0.01 -1.68 0.11 0.00 0.21 0.00 0.00 66.02 64.64 2jql s SER 153 CO -0.12 -0.41 0.13 -0.44 0.41 0.00 0.00 173.24 172.81 2jql s SER 154 N 1.05 4.02 -0.16 2.44 0.01 -1.26 -5.07 113.70 114.72 2jql s SER 154 Ca 0.11 -1.99 -0.05 0.00 1.31 0.00 0.00 55.95 55.33 2jql s SER 154 Cb -0.20 -1.01 0.06 0.00 0.21 0.00 0.00 66.02 65.07 2jql s SER 154 CO -0.07 -0.37 0.09 -0.70 0.41 0.00 0.00 173.24 172.61 2jql s GLU 155 N 1.16 0.05 -0.09 12.44 2.12 -1.26 -5.02 118.70 128.11 2jql s GLU 155 Ca 0.12 -0.05 -0.16 0.00 0.36 0.00 0.00 54.97 55.25 2jql s GLU 155 Cb -0.20 -1.74 -0.28 0.00 0.26 0.00 0.00 34.13 32.17 2jql s GLU 155 CO -0.16 -0.65 0.61 1.03 -0.54 0.00 0.00 175.26 175.56 2jql h SER 156 N 8.42 0.43 -4.19 -1.70 0.87 -2.08 -3.46 113.55 111.85 2jql h SER 156 Ca -0.15 -0.88 -0.69 0.00 -1.23 0.00 0.00 61.79 58.84 2jql h SER 156 Cb 1.15 -0.14 -0.25 0.00 -0.44 0.00 0.00 62.40 62.72 2jql h SER 156 CO 0.28 1.63 -0.85 -0.13 -0.53 0.00 0.00 176.83 177.23 2jql s ARG 157 N -2.49 1.97 0.74 2.24 0.52 -1.26 -5.14 118.95 115.53 2jql s ARG 157 Ca -0.19 -1.02 -0.12 0.00 -0.52 0.00 0.00 55.73 53.88 2jql s ARG 157 Cb 0.04 -2.09 0.17 0.00 0.52 0.00 0.00 34.95 33.60 2jql s ARG 157 CO 0.79 0.53 0.89 -1.13 0.02 0.00 0.00 175.30 176.40 2jql n SER 158 N 1.78 -0.44 0.00 0.23 3.41 -1.26 -5.23 113.62 112.11 2jql n SER 158 Ca -0.17 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.21 2jql n SER 158 Cb 0.52 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 2jql n SER 158 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88