#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jql s ARG 20 N 0.00 3.02 -0.33 1.64 3.52 -1.26 -5.10 118.95 120.44 2jql s ARG 20 Ca 0.00 -0.95 -0.12 0.00 -0.13 0.00 0.00 55.73 54.54 2jql s ARG 20 Cb 0.00 -2.65 -0.01 0.00 -1.56 0.00 0.00 34.95 30.73 2jql s ARG 20 CO 0.00 0.43 0.21 -1.14 -0.81 0.00 0.00 175.30 173.99 2jql s GLN 21 N -3.66 3.40 0.46 5.12 2.00 -1.26 -5.08 119.66 120.64 2jql s GLN 21 Ca 0.33 -0.70 0.07 0.00 -2.00 0.00 0.00 55.36 53.06 2jql s GLN 21 Cb -0.09 -3.72 -0.00 0.00 0.80 0.00 0.00 33.01 30.00 2jql s GLN 21 CO 0.25 -0.45 0.40 -0.65 -0.50 0.00 0.00 175.29 174.34 2jql s GLN 22 N 1.68 2.43 -0.55 1.67 -1.52 -1.26 -5.09 119.66 117.01 2jql s GLN 22 Ca 0.05 -1.68 -0.01 0.00 -1.95 0.00 0.00 55.36 51.77 2jql s GLN 22 Cb -0.17 -2.30 0.14 0.00 -0.22 0.00 0.00 33.01 30.46 2jql s GLN 22 CO 0.09 -0.34 0.35 1.03 -0.25 0.00 0.00 175.29 176.17 2jql s ARG 23 N -4.19 2.30 0.16 2.91 3.00 -1.26 -4.77 118.95 117.11 2jql s ARG 23 Ca 0.45 -2.40 0.00 0.00 0.00 0.00 0.00 55.73 53.79 2jql s ARG 23 Cb -0.03 -3.60 0.00 0.00 0.00 0.00 0.00 34.95 31.32 2jql s ARG 23 CO 0.27 -1.13 0.00 -1.13 0.00 0.00 0.00 175.30 173.30 2jql n SER 24 N 3.64 -0.95 -4.14 0.23 3.41 -1.26 -5.12 113.62 109.42 2jql n SER 24 Ca 0.05 0.30 -0.25 0.00 -0.26 0.00 0.00 58.87 58.72 2jql n SER 24 Cb 0.38 1.08 -0.15 0.00 -0.26 0.00 0.00 64.21 65.25 2jql n SER 24 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2jql s ASN 25 N -3.52 1.98 0.09 4.04 2.47 -1.26 -5.14 114.94 113.59 2jql s ASN 25 Ca 0.00 -0.31 -0.08 0.00 0.42 0.00 0.00 52.86 52.89 2jql s ASN 25 Cb 0.00 -0.33 -0.06 0.00 -1.45 0.00 0.00 41.25 39.42 2jql s ASN 25 CO 0.00 0.18 0.38 -1.59 -3.72 0.00 0.00 177.10 172.35 2jql s LYS 26 N -0.25 3.70 0.41 0.43 0.00 -1.26 -5.05 119.74 117.72 2jql s LYS 26 Ca 0.03 0.07 -0.25 0.00 0.00 0.00 0.00 55.97 55.82 2jql s LYS 26 Cb -0.08 -2.96 -0.08 0.00 0.00 0.00 0.00 37.83 34.71 2jql s LYS 26 CO 0.00 0.54 1.19 -1.25 0.00 0.00 0.00 175.35 175.83 2jql s PRO 27 N -2.11 4.02 0.00 1.78 0.04 -1.26 -4.83 135.00 132.63 2jql s PRO 27 Ca 0.35 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.26 2jql s PRO 27 Cb -0.13 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.74 2jql s PRO 27 CO 0.20 -0.36 0.00 0.43 0.04 0.00 0.00 177.00 177.30 2jql n SER 28 N 0.03 0.00 -3.33 6.66 7.64 -1.26 -5.08 113.62 118.28 2jql n SER 28 Ca 0.04 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.80 2jql n SER 28 Cb 0.46 0.13 -0.07 0.00 -1.01 0.00 0.00 64.21 63.73 2jql n SER 28 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2jql s SER 29 N -1.39 0.75 -0.44 6.43 1.04 -1.26 -5.09 113.70 113.74 2jql s SER 29 Ca 0.00 -0.86 0.02 0.00 0.48 0.00 0.00 55.95 55.59 2jql s SER 29 Cb 0.00 0.88 0.13 0.00 0.10 0.00 0.00 66.02 67.13 2jql s SER 29 CO 0.00 -0.32 0.23 -1.83 0.98 0.00 0.00 173.24 172.30 2jql s GLU 30 N 2.11 1.36 0.00 4.02 4.04 -1.26 -5.05 118.70 123.92 2jql s GLU 30 Ca 0.12 -2.05 0.00 0.00 0.04 0.00 0.00 54.97 53.08 2jql s GLU 30 Cb -0.13 -2.48 0.00 0.00 0.02 0.00 0.00 34.13 31.54 2jql s GLU 30 CO -0.21 -1.14 0.00 0.66 -1.84 0.00 0.00 175.26 172.73 2jql n TYR 31 N 3.55 0.00 -3.77 4.83 4.02 -1.26 -5.14 117.16 119.40 2jql n TYR 31 Ca 0.07 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.81 2jql n TYR 31 Cb 0.34 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.51 2jql n TYR 31 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jql s THR 32 N 3.33 -0.06 0.35 -0.72 2.01 -1.26 -4.99 115.64 114.29 2jql s THR 32 Ca 0.00 0.22 -0.27 0.00 0.31 0.00 0.00 61.69 61.95 2jql s THR 32 Cb 0.00 -0.10 -0.09 0.00 0.01 0.00 0.00 72.50 72.32 2jql s THR 32 CO 0.00 0.09 1.13 0.00 -0.69 0.00 0.00 174.62 175.15 2jql n LEU 34 N 0.50 0.00 -4.26 0.00 4.77 -1.17 -4.87 117.00 111.97 2jql n LEU 34 Ca 0.02 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.82 2jql n LEU 34 Cb 0.46 0.23 -0.11 0.00 -2.33 0.00 0.00 43.42 41.67 2jql n LEU 34 CO 0.51 -0.39 -0.45 -0.83 -1.33 0.00 0.00 177.39 174.90 2jql s GLY 35 N -2.93 1.15 0.30 -0.72 0.00 -1.11 -0.24 107.32 103.77 2jql s GLY 35 Ca 0.00 -1.36 0.11 0.00 0.00 0.00 0.00 44.72 43.47 2jql s GLY 35 CO 0.00 -1.42 -0.15 0.30 0.00 0.00 0.00 173.10 171.83 2jql s HIS 36 N -2.24 2.29 -0.11 1.90 3.76 -0.82 0.11 115.29 120.19 2jql s HIS 36 Ca 0.11 -0.42 0.01 0.00 -0.15 0.00 0.00 55.06 54.61 2jql s HIS 36 Cb -0.04 -1.13 0.02 0.00 1.11 0.00 0.00 32.58 32.54 2jql s HIS 36 CO 0.04 0.64 -0.12 -0.51 -0.85 0.00 0.00 174.74 173.93 2jql s LEU 37 N -3.53 1.55 -0.26 0.89 1.43 0.19 -3.01 118.68 115.94 2jql s LEU 37 Ca 0.31 -0.37 -0.10 0.00 -1.03 0.00 0.00 54.13 52.93 2jql s LEU 37 Cb -0.02 -0.98 -0.05 0.00 0.03 0.00 0.00 46.19 45.18 2jql s LEU 37 CO 0.15 -0.03 0.15 -0.69 0.23 0.00 0.00 176.35 176.16 2jql s VAL 38 N 1.19 5.08 -0.13 -1.59 1.01 0.75 -0.05 120.40 126.66 2jql s VAL 38 Ca -0.03 0.09 -0.20 0.00 0.00 0.00 0.00 61.98 61.84 2jql s VAL 38 Cb -0.14 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 2jql s VAL 38 CO -0.04 0.30 0.55 0.21 0.00 0.00 0.00 175.10 176.13 2jql s ASN 39 N 1.49 6.74 -0.39 3.32 2.47 0.75 -0.01 114.94 129.31 2jql s ASN 39 Ca 0.07 0.89 -0.08 0.00 0.42 0.00 0.00 52.86 54.15 2jql s ASN 39 Cb -0.15 -2.32 0.06 0.00 -1.45 0.00 0.00 41.25 37.39 2jql s ASN 39 CO 0.07 -0.08 0.20 -0.76 -3.72 0.00 0.00 177.10 172.81 2jql s LEU 40 N 0.93 4.85 0.01 3.21 1.43 0.21 -2.54 118.68 126.78 2jql s LEU 40 Ca 0.29 -1.38 0.07 0.00 -1.03 0.00 0.00 54.13 52.07 2jql s LEU 40 Cb -0.16 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 2jql s LEU 40 CO 0.12 -0.46 -0.20 -0.63 0.23 0.00 0.00 176.35 175.41 2jql s ILE 41 N 1.41 1.63 -1.19 -0.59 -1.09 -1.26 -3.66 121.20 116.45 2jql s ILE 41 Ca 0.02 -0.99 -0.18 0.00 -2.23 0.00 0.00 60.65 57.27 2jql s ILE 41 Cb -0.22 -1.38 -0.03 0.00 -1.58 0.00 0.00 42.46 39.26 2jql s ILE 41 CO 0.02 0.36 2.03 -0.81 -1.23 0.00 0.00 174.94 175.32 2jql n PRO 42 N 2.31 2.35 0.00 2.79 -0.04 -1.26 -2.86 135.00 138.29 2jql n PRO 42 Ca -0.16 -2.44 0.00 0.00 -0.04 0.00 0.00 63.50 60.86 2jql n PRO 42 Cb 0.53 -3.24 0.00 0.00 -0.04 0.00 0.00 33.50 30.75 2jql n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jql n GLY 43 N 4.58 0.31 3.29 0.55 0.00 -1.26 -5.12 105.19 107.54 2jql n GLY 43 Ca 0.50 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.56 2jql n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jql s LYS 44 N 0.00 0.04 0.41 1.61 2.20 -1.13 -5.18 119.74 117.68 2jql s LYS 44 Ca 0.00 0.09 -0.07 0.00 -0.36 0.00 0.00 55.97 55.63 2jql s LYS 44 Cb 0.00 0.05 0.09 0.00 -1.51 0.00 0.00 37.83 36.46 2jql s LYS 44 CO 0.00 -0.01 0.54 -0.85 -0.36 0.00 0.00 175.35 174.67 2jql n GLU 45 N 4.23 -0.59 -3.63 4.03 0.28 -1.26 -4.13 120.64 119.57 2jql n GLU 45 Ca -0.09 -0.84 -0.10 0.00 -0.16 0.00 0.00 57.16 55.97 2jql n GLU 45 Cb 0.56 -0.57 -0.07 0.00 1.43 0.00 0.00 31.44 32.79 2jql n GLU 45 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 2jql s GLN 46 N -4.19 0.55 -0.19 3.44 -0.21 -1.05 -4.96 119.66 113.05 2jql s GLN 46 Ca 0.31 0.59 -0.02 0.00 0.02 0.00 0.00 55.36 56.26 2jql s GLN 46 Cb -0.01 0.27 -0.01 0.00 1.00 0.00 0.00 33.01 34.26 2jql s GLN 46 CO 0.22 -0.08 -0.08 0.21 -2.12 0.00 0.00 175.29 173.44 2jql s LYS 47 N 0.11 3.36 0.14 2.91 2.36 -1.26 -0.18 119.74 127.17 2jql s LYS 47 Ca 0.02 -0.65 0.10 0.00 -2.55 0.00 0.00 55.97 52.89 2jql s LYS 47 Cb -0.05 -2.87 -0.04 0.00 -1.05 0.00 0.00 37.83 33.82 2jql s LYS 47 CO -0.05 -0.07 -0.21 0.08 1.55 0.00 0.00 175.35 176.65 2jql s VAL 48 N 1.13 2.60 -0.16 4.02 1.01 0.93 -4.98 120.40 124.94 2jql s VAL 48 Ca 0.01 -1.68 -0.06 0.00 0.00 0.00 0.00 61.98 60.25 2jql s VAL 48 Cb -0.14 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 2jql s VAL 48 CO -0.02 0.05 0.03 -1.61 0.00 0.00 0.00 175.10 173.56 2jql s GLU 49 N -2.25 3.74 -0.19 2.72 8.01 -1.26 0.53 118.70 130.00 2jql s GLU 49 Ca 0.18 -0.38 -0.06 0.00 0.01 0.00 0.00 54.97 54.71 2jql s GLU 49 Cb -0.10 -3.08 -0.03 0.00 -4.31 0.00 0.00 34.13 26.61 2jql s GLU 49 CO 0.09 0.36 0.03 0.42 0.01 0.00 0.00 175.26 176.17 2jql s ILE 50 N 0.10 4.32 0.39 -1.63 -1.09 0.30 -4.88 121.20 118.72 2jql s ILE 50 Ca 0.03 -0.19 0.06 0.00 -2.23 0.00 0.00 60.65 58.32 2jql s ILE 50 Cb -0.13 -2.95 0.00 0.00 -1.58 0.00 0.00 42.46 37.80 2jql s ILE 50 CO 0.01 0.44 0.55 0.42 -1.23 0.00 0.00 174.94 175.13 2jql s THR 51 N 0.72 3.58 -1.50 2.92 -4.23 -1.26 -2.77 115.64 113.10 2jql s THR 51 Ca 0.01 -0.92 -0.09 0.00 -1.18 0.00 0.00 61.69 59.51 2jql s THR 51 Cb -0.14 -3.24 0.01 0.00 1.34 0.00 0.00 72.50 70.47 2jql s THR 51 CO 0.02 -0.11 2.61 -0.46 -0.54 0.00 0.00 174.62 176.14 2jql n ASN 52 N -1.82 7.51 -0.31 3.99 2.04 -0.73 -4.59 115.26 121.35 2jql n ASN 52 Ca 0.03 -2.80 0.08 0.00 -0.44 0.00 0.00 54.58 51.45 2jql n ASN 52 Cb 0.58 -1.52 0.35 0.00 -2.53 0.00 0.00 39.78 36.67 2jql n ASN 52 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 2jql n ARG 53 N 3.53 1.41 0.00 -3.83 1.74 -1.26 -4.82 116.66 113.42 2jql n ARG 53 Ca 0.67 -0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2jql n ARG 53 Cb 0.27 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 2jql n ARG 53 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2jql n ASN 54 N -0.12 0.00 -3.88 0.55 2.85 -0.84 -4.78 115.26 109.04 2jql n ASN 54 Ca 0.13 0.00 -0.16 0.00 -0.11 0.00 0.00 54.58 54.44 2jql n ASN 54 Cb 0.19 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.06 2jql n ASN 54 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2jql s VAL 55 N 0.00 0.24 -0.08 3.44 1.01 -1.26 -1.65 120.40 122.09 2jql s VAL 55 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 61.96 2jql s VAL 55 Cb 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 36.13 2jql s VAL 55 CO 0.00 0.11 -0.17 -0.89 0.00 0.00 0.00 175.10 174.15 2jql s THR 56 N 0.38 1.51 -0.12 3.92 2.01 0.51 -4.89 115.64 118.96 2jql s THR 56 Ca -0.04 -0.70 -0.05 0.00 0.31 0.00 0.00 61.69 61.22 2jql s THR 56 Cb -0.07 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 2jql s THR 56 CO -0.01 0.44 0.06 0.42 -0.69 0.00 0.00 174.62 174.84 2jql s THR 57 N 0.51 4.82 -0.10 -0.82 -4.23 -1.26 0.20 115.64 114.76 2jql s THR 57 Ca -0.16 -0.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.32 2jql s THR 57 Cb -0.17 -3.08 0.02 0.00 1.34 0.00 0.00 72.50 70.61 2jql s THR 57 CO 0.06 0.58 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.94 2jql s ILE 58 N -0.65 1.43 0.00 2.99 1.09 -0.61 0.15 121.20 125.60 2jql s ILE 58 Ca 0.11 -0.60 0.00 0.00 -1.10 0.00 0.00 60.65 59.06 2jql s ILE 58 Cb -0.12 -1.32 0.00 0.00 -1.06 0.00 0.00 42.46 39.97 2jql s ILE 58 CO 0.02 0.43 0.00 0.61 -0.10 0.00 0.00 174.94 175.90 2jql n GLY 59 N 4.20 -0.58 0.01 6.18 0.00 -0.38 -2.94 105.19 111.68 2jql n GLY 59 Ca -0.19 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 2.32 -1.47 1.61 0.63 -1.24 0.03 116.66 118.53 2jql n ARG 60 Ca 0.00 -0.01 -0.42 0.00 -0.92 0.00 0.00 57.85 56.50 2jql n ARG 60 Cb 0.00 -1.06 0.01 0.00 0.45 0.00 0.00 32.46 31.86 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 -1.90 -0.63 0.19 6.15 2.88 -1.26 -4.87 113.62 114.19 2jql n SER 61 Ca -0.02 0.93 0.05 0.00 -1.33 0.00 0.00 58.87 58.50 2jql n SER 61 Cb 0.38 -1.14 0.33 0.00 -0.75 0.00 0.00 64.21 63.04 2jql n SER 61 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2jql h ARG 62 N 0.90 0.00 0.00 -1.46 2.43 -1.97 -3.01 114.38 111.28 2jql h ARG 62 Ca -0.40 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.62 2jql h ARG 62 Cb 1.39 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.92 2jql h ARG 62 CO 0.52 0.38 -0.79 0.66 -1.51 0.00 0.00 179.97 179.24 2jql h SER 63 N 0.00 0.00 -3.44 -3.80 4.64 -2.00 -3.47 113.55 105.49 2jql h SER 63 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2jql h SER 63 Cb 0.89 0.00 0.21 0.00 -0.31 0.00 0.00 62.40 63.20 2jql h SER 63 CO 0.05 0.69 -0.51 0.00 -0.87 0.00 0.00 176.83 176.19 2jql h ASP 65 N -1.64 -0.36 -3.24 0.00 5.19 0.11 -3.45 116.42 113.04 2jql h ASP 65 Ca -0.44 -0.09 -0.64 0.00 -0.62 0.00 0.00 57.03 55.24 2jql h ASP 65 Cb 1.29 0.09 -0.16 0.00 0.18 0.00 0.00 39.33 40.73 2jql h ASP 65 CO 0.35 0.11 -0.58 -0.69 -3.12 0.00 0.00 179.24 175.31 2jql s VAL 66 N -3.27 4.61 -0.39 -1.35 1.01 0.29 -4.93 120.40 116.37 2jql s VAL 66 Ca -0.09 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 2jql s VAL 66 Cb 0.01 -3.03 0.07 0.00 0.00 0.00 0.00 36.38 33.42 2jql s VAL 66 CO 0.30 0.51 0.19 0.27 0.00 0.00 0.00 175.10 176.37 2jql s ILE 67 N -0.03 3.92 0.99 2.22 -4.36 -1.26 -1.25 121.20 121.44 2jql s ILE 67 Ca 0.05 -1.39 -0.17 0.00 -0.26 0.00 0.00 60.65 58.89 2jql s ILE 67 Cb -0.12 -3.37 0.25 0.00 1.25 0.00 0.00 42.46 40.47 2jql s ILE 67 CO 0.01 -0.40 0.73 0.18 0.24 0.00 0.00 174.94 175.70 2jql n LEU 68 N 4.83 0.00 -2.16 0.37 4.32 0.10 -4.98 117.00 119.48 2jql n LEU 68 Ca -0.10 -0.76 -0.15 0.00 -0.02 0.00 0.00 56.01 54.98 2jql n LEU 68 Cb 0.43 -0.74 0.04 0.00 -1.62 0.00 0.00 43.42 41.53 2jql n LEU 68 CO 0.35 -2.15 0.13 -0.24 -1.22 0.00 0.00 177.39 174.27 2jql n SER 69 N -4.71 3.70 -4.45 -1.43 2.88 -1.26 -4.90 113.62 103.46 2jql n SER 69 Ca 0.11 -3.23 -0.33 0.00 -1.33 0.00 0.00 58.87 54.09 2jql n SER 69 Cb 0.44 -0.39 -0.13 0.00 -0.75 0.00 0.00 64.21 63.38 2jql n SER 69 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2jql s GLU 70 N -3.55 3.34 0.25 -1.46 2.02 -1.26 -5.00 118.70 113.04 2jql s GLU 70 Ca 0.43 -0.61 0.22 0.00 0.02 0.00 0.00 54.97 55.03 2jql s GLU 70 Cb 0.38 -2.70 0.98 0.00 0.10 0.00 0.00 34.13 32.89 2jql s GLU 70 CO 0.01 0.31 1.66 -0.35 0.02 0.00 0.00 175.26 176.91 2jql n PRO 71 N 3.26 0.16 -1.40 0.39 -0.04 -1.26 -2.54 135.00 133.57 2jql n PRO 71 Ca -0.18 0.47 -0.02 0.00 -0.04 0.00 0.00 63.50 63.74 2jql n PRO 71 Cb 0.53 -1.86 0.10 0.00 -0.04 0.00 0.00 33.50 32.23 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 -2.18 2.23 -4.77 3.54 9.92 -1.26 -5.07 116.55 118.96 2jql n ASP 72 Ca 0.01 -3.19 -0.40 0.00 -0.53 0.00 0.00 54.79 50.69 2jql n ASP 72 Cb 0.17 -0.43 -0.06 0.00 -0.64 0.00 0.00 41.12 40.16 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 -2.84 4.25 0.16 0.53 1.10 -1.05 -5.00 121.20 118.34 2jql s ILE 73 Ca 0.39 1.86 -0.31 0.00 -0.51 0.00 0.00 60.65 62.07 2jql s ILE 73 Cb 0.38 -4.21 -0.09 0.00 0.15 0.00 0.00 42.46 38.69 2jql s ILE 73 CO -0.07 0.50 1.41 -0.44 -2.11 0.00 0.00 174.94 174.24 2jql s SER 74 N -1.18 6.77 0.15 4.50 0.01 -1.26 -4.60 113.70 118.09 2jql s SER 74 Ca 0.38 2.44 -0.14 0.00 1.31 0.00 0.00 55.95 59.94 2jql s SER 74 Cb -0.24 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.42 2jql s SER 74 CO 0.28 -0.67 1.71 0.74 0.41 0.00 0.00 173.24 175.71 2jql h THR 75 N 4.02 1.21 -0.63 1.44 2.02 -1.93 -2.71 112.91 116.33 2jql h THR 75 Ca -0.43 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.11 2jql h THR 75 Cb 1.21 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 2jql h THR 75 CO 0.84 0.24 0.00 0.49 0.37 0.00 0.00 175.52 177.46 2jql n PHE 76 N -4.58 1.33 0.00 3.16 3.01 -1.26 -4.06 117.46 115.06 2jql n PHE 76 Ca 0.01 -0.60 0.00 0.00 1.01 0.00 0.00 57.45 57.88 2jql n PHE 76 Cb 0.15 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.42 2jql n PHE 76 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2jql n HIS 77 N 1.12 0.00 -3.79 1.38 -0.00 -1.02 -4.44 115.22 108.47 2jql n HIS 77 Ca 0.25 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.33 2jql n HIS 77 Cb 0.82 -0.08 -0.05 0.00 -0.12 0.00 0.00 29.99 30.57 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 -2.69 -0.65 -0.02 1.57 0.00 -1.15 -2.90 121.76 115.91 2jql s ALA 78 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.59 2jql s ALA 78 Cb 0.00 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.94 2jql s ALA 78 CO 0.00 -0.73 -0.09 -2.00 0.00 0.00 0.00 175.76 172.94 2jql s GLU 79 N -3.89 0.87 -0.10 0.00 2.12 -1.02 -1.58 118.70 115.11 2jql s GLU 79 Ca 0.10 -0.30 0.04 0.00 0.36 0.00 0.00 54.97 55.18 2jql s GLU 79 Cb 0.01 -0.82 -0.00 0.00 0.26 0.00 0.00 34.13 33.57 2jql s GLU 79 CO -0.04 0.13 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.52 2jql s PHE 80 N 0.10 2.57 -0.33 5.30 0.40 0.13 -1.91 117.98 124.24 2jql s PHE 80 Ca -0.01 -0.94 -0.16 0.00 -0.60 0.00 0.00 56.93 55.22 2jql s PHE 80 Cb -0.07 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.74 2jql s PHE 80 CO 0.00 -0.36 0.39 -1.01 0.70 0.00 0.00 175.22 174.94 2jql s HIS 81 N 0.25 3.21 -0.37 0.36 3.76 -1.10 0.19 115.29 121.59 2jql s HIS 81 Ca -0.15 0.11 -0.09 0.00 -0.15 0.00 0.00 55.06 54.78 2jql s HIS 81 Cb -0.17 -2.69 0.04 0.00 1.11 0.00 0.00 32.58 30.87 2jql s HIS 81 CO 0.08 -0.40 0.18 -1.17 -0.85 0.00 0.00 174.74 172.57 2jql s LEU 82 N 2.10 4.64 -0.02 0.89 2.96 -0.66 -2.31 118.68 126.28 2jql s LEU 82 Ca 0.14 -1.11 0.07 0.00 -0.22 0.00 0.00 54.13 53.01 2jql s LEU 82 Cb -0.16 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 2jql s LEU 82 CO 0.12 -0.39 -0.23 -0.22 -1.32 0.00 0.00 176.35 174.31 2jql s LEU 83 N 1.49 2.05 -0.15 -0.68 2.96 -1.17 -1.98 118.68 121.19 2jql s LEU 83 Ca 0.01 -0.42 -0.07 0.00 -0.22 0.00 0.00 54.13 53.43 2jql s LEU 83 Cb -0.20 -1.19 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 2jql s LEU 83 CO 0.05 0.28 0.10 0.00 -1.32 0.00 0.00 176.35 175.46 2jql s GLN 84 N -0.56 3.70 -0.02 1.98 -2.07 -1.26 -2.44 119.66 118.99 2jql s GLN 84 Ca 0.09 -0.25 0.04 0.00 -1.82 0.00 0.00 55.36 53.42 2jql s GLN 84 Cb -0.09 -3.19 -0.01 0.00 -1.09 0.00 0.00 33.01 28.63 2jql s GLN 84 CO -0.01 0.52 -0.14 1.41 -1.32 0.00 0.00 175.29 175.74 2jql s MET 85 N -0.30 1.27 -0.18 9.60 1.75 0.70 -4.98 119.30 127.16 2jql s MET 85 Ca 0.10 -0.51 -0.05 0.00 -1.25 0.00 0.00 55.69 53.97 2jql s MET 85 Cb -0.12 -1.19 -0.03 0.00 2.84 0.00 0.00 34.83 36.33 2jql s MET 85 CO 0.01 0.28 0.01 0.16 -0.65 0.00 0.00 175.02 174.83 2jql s ASP 86 N -0.21 5.09 -0.03 1.11 -4.77 -1.26 0.10 116.67 116.70 2jql s ASP 86 Ca 0.03 -0.08 -0.01 0.00 -3.30 0.00 0.00 52.55 49.19 2jql s ASP 86 Cb -0.07 -1.86 0.03 0.00 -1.09 0.00 0.00 42.92 39.93 2jql s ASP 86 CO 0.00 0.14 0.04 -0.69 0.70 0.00 0.00 175.17 175.36 2jql s VAL 87 N 0.55 -0.08 0.00 2.11 1.01 -0.73 -4.92 120.40 118.33 2jql s VAL 87 Ca -0.00 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.26 2jql s VAL 87 Cb -0.14 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.14 2jql s VAL 87 CO 0.02 0.12 0.00 -0.67 0.00 0.00 0.00 175.10 174.57 2jql n ASP 88 N 4.55 0.00 0.00 3.32 -0.08 -1.26 -3.07 116.55 120.01 2jql n ASP 88 Ca -0.20 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 2jql n ASP 88 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 2jql n ASP 88 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2jql n ASN 89 N 2.64 0.00 -3.92 1.67 2.85 -1.26 -5.15 115.26 112.09 2jql n ASN 89 Ca 0.00 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.17 2jql n ASN 89 Cb 0.00 0.07 0.21 0.00 1.24 0.00 0.00 39.78 41.30 2jql n ASN 89 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2jql s PHE 90 N -1.26 1.19 -0.07 1.20 0.08 -1.17 -5.05 117.98 112.90 2jql s PHE 90 Ca 0.00 0.23 0.01 0.00 0.12 0.00 0.00 56.93 57.29 2jql s PHE 90 Cb 0.00 -4.21 0.02 0.00 -0.57 0.00 0.00 43.02 38.26 2jql s PHE 90 CO 0.00 -2.95 -0.09 1.14 -0.10 0.00 0.00 175.22 173.22 2jql s GLN 91 N -5.93 1.40 -0.08 0.44 -2.07 -1.26 -1.78 119.66 110.38 2jql s GLN 91 Ca 0.76 -0.29 -0.00 0.00 -1.82 0.00 0.00 55.36 54.01 2jql s GLN 91 Cb -0.03 -1.27 -0.03 0.00 -1.09 0.00 0.00 33.01 30.60 2jql s GLN 91 CO 0.54 -0.06 -0.06 0.50 -1.32 0.00 0.00 175.29 174.90 2jql s ARG 92 N 0.94 2.92 -0.15 9.60 3.52 0.28 -4.89 118.95 131.16 2jql s ARG 92 Ca -0.10 -0.52 -0.01 0.00 -0.13 0.00 0.00 55.73 54.97 2jql s ARG 92 Cb -0.15 -2.66 -0.01 0.00 -1.56 0.00 0.00 34.95 30.57 2jql s ARG 92 CO 0.01 0.61 -0.12 -0.80 -0.81 0.00 0.00 175.30 174.19 2jql s ASN 93 N -0.65 4.01 -0.04 -2.12 0.02 -1.26 -0.22 114.94 114.68 2jql s ASN 93 Ca 0.10 -0.36 0.01 0.00 -1.02 0.00 0.00 52.86 51.59 2jql s ASN 93 Cb -0.12 -1.63 -0.03 0.00 0.02 0.00 0.00 41.25 39.49 2jql s ASN 93 CO 0.02 0.12 -0.05 -0.76 0.02 0.00 0.00 177.10 176.45 2jql s LEU 94 N 0.64 3.29 -0.04 0.60 2.01 -1.02 -4.99 118.68 119.17 2jql s LEU 94 Ca -0.06 -0.02 0.03 0.00 0.01 0.00 0.00 54.13 54.09 2jql s LEU 94 Cb -0.15 -1.79 -0.03 0.00 0.01 0.00 0.00 46.19 44.23 2jql s LEU 94 CO 0.03 0.34 -0.12 -0.63 1.01 0.00 0.00 176.35 176.97 2jql s ILE 95 N -0.91 3.24 0.02 -0.59 1.09 -1.14 -3.06 121.20 119.86 2jql s ILE 95 Ca 0.15 -0.73 0.06 0.00 -1.10 0.00 0.00 60.65 59.04 2jql s ILE 95 Cb -0.11 -2.31 -0.03 0.00 -1.06 0.00 0.00 42.46 38.95 2jql s ILE 95 CO 0.04 0.54 -0.17 0.21 -0.10 0.00 0.00 174.94 175.46 2jql s ASN 96 N -0.90 3.83 -0.18 3.58 2.47 -0.98 0.11 114.94 122.86 2jql s ASN 96 Ca 0.13 -0.38 -0.04 0.00 0.42 0.00 0.00 52.86 52.98 2jql s ASN 96 Cb -0.11 -0.65 -0.02 0.00 -1.45 0.00 0.00 41.25 39.02 2jql s ASN 96 CO 0.02 0.27 -0.03 -0.69 -3.72 0.00 0.00 177.10 172.95 2jql s VAL 97 N -0.88 3.76 0.03 -5.21 1.01 0.16 -2.70 120.40 116.57 2jql s VAL 97 Ca 0.14 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.78 2jql s VAL 97 Cb -0.10 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 2jql s VAL 97 CO 0.04 0.45 -0.14 -0.63 0.00 0.00 0.00 175.10 174.83 2jql s ILE 98 N 0.84 1.08 -0.04 2.22 1.01 -0.80 -2.46 121.20 123.05 2jql s ILE 98 Ca -0.01 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.81 2jql s ILE 98 Cb -0.14 -0.97 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 2jql s ILE 98 CO 0.02 0.07 -0.21 1.51 0.00 0.00 0.00 174.94 176.33 2jql s ASP 99 N -0.94 3.50 -0.41 3.58 -4.77 -1.26 -2.43 116.67 113.94 2jql s ASP 99 Ca 0.02 -0.36 0.08 0.00 -3.30 0.00 0.00 52.55 48.99 2jql s ASP 99 Cb -0.07 -0.66 0.35 0.00 -1.09 0.00 0.00 42.92 41.45 2jql s ASP 99 CO 0.01 0.31 1.27 2.29 0.70 0.00 0.00 175.17 179.76 2jql n LYS 100 N 2.49 1.07 -3.05 2.11 2.85 -1.14 -4.99 118.16 117.50 2jql n LYS 100 Ca -0.17 -1.77 -0.08 0.00 -1.05 0.00 0.00 58.31 55.23 2jql n LYS 100 Cb 0.52 -0.34 -0.01 0.00 -0.65 0.00 0.00 35.03 34.55 2jql n LYS 100 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2jql n SER 101 N -0.28 -1.13 -0.07 -5.58 7.64 -1.24 -4.53 113.62 108.42 2jql n SER 101 Ca -0.02 -2.19 -0.10 0.00 1.01 0.00 0.00 58.87 57.58 2jql n SER 101 Cb 0.79 1.99 -0.15 0.00 -1.01 0.00 0.00 64.21 65.84 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 -0.37 0.67 -0.19 1.43 1.74 -1.26 -4.28 116.66 114.39 2jql n ARG 102 Ca -0.02 0.11 0.05 0.00 -0.77 0.00 0.00 57.85 57.22 2jql n ARG 102 Cb 0.39 -1.62 0.32 0.00 -1.02 0.00 0.00 32.46 30.53 2jql n ARG 102 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2jql h ASN 103 N 0.00 0.73 -4.35 0.55 2.35 -1.94 -3.49 115.58 109.43 2jql h ASN 103 Ca -0.45 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 2jql h ASN 103 Cb 2.16 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 40.37 2jql h ASN 103 CO 0.05 0.49 0.00 0.61 -1.65 0.00 0.00 177.43 176.92 2jql n GLY 104 N -1.44 -1.02 2.91 2.83 0.00 -1.26 -4.35 105.19 102.86 2jql n GLY 104 Ca 0.10 -1.47 -0.23 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.27 0.78 -0.25 2.61 2.01 -1.26 -1.14 115.64 115.12 2jql s THR 105 Ca 0.00 -0.22 -0.05 0.00 0.31 0.00 0.00 61.69 61.74 2jql s THR 105 Cb 0.00 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.72 2jql s THR 105 CO 0.00 0.30 0.00 -0.36 -0.69 0.00 0.00 174.62 173.87 2jql s PHE 106 N 1.21 3.06 -0.08 4.92 0.08 0.48 -3.29 117.98 124.35 2jql s PHE 106 Ca -0.06 -1.04 0.01 0.00 0.12 0.00 0.00 56.93 55.96 2jql s PHE 106 Cb -0.14 -2.16 -0.03 0.00 -0.57 0.00 0.00 43.02 40.13 2jql s PHE 106 CO -0.02 -0.58 -0.09 -1.50 -0.10 0.00 0.00 175.22 172.93 2jql s ILE 107 N 1.46 3.50 -1.62 0.64 1.10 0.04 0.28 121.20 126.59 2jql s ILE 107 Ca 0.04 -0.54 -0.02 0.00 -0.51 0.00 0.00 60.65 59.62 2jql s ILE 107 Cb -0.16 -2.44 0.00 0.00 0.15 0.00 0.00 42.46 40.02 2jql s ILE 107 CO -0.01 0.57 0.19 0.59 -2.11 0.00 0.00 174.94 174.18 2jql n ASN 108 N 2.61 -5.68 -0.21 4.50 5.03 -0.91 -0.83 115.26 119.77 2jql n ASN 108 Ca -0.18 -0.08 -0.03 0.00 0.87 0.00 0.00 54.58 55.16 2jql n ASN 108 Cb 0.53 -4.69 -0.01 0.00 -1.02 0.00 0.00 39.78 34.59 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 -1.14 0.52 3.20 7.41 0.00 -1.26 -5.00 105.19 108.92 2jql n GLY 109 Ca -0.19 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.28 1.98 0.34 1.61 0.01 -0.01 -5.12 114.94 111.48 2jql s ASN 110 Ca 0.00 -0.56 -0.27 0.00 -0.71 0.00 0.00 52.86 51.32 2jql s ASN 110 Cb 0.00 -0.11 -0.09 0.00 0.41 0.00 0.00 41.25 41.46 2jql s ASN 110 CO 0.00 0.03 1.07 -0.60 -1.51 0.00 0.00 177.10 176.09 2jql s ARG 111 N -1.48 4.40 0.18 -0.60 3.52 -1.26 -0.78 118.95 122.92 2jql s ARG 111 Ca 0.03 1.65 -0.30 0.00 -0.13 0.00 0.00 55.73 56.97 2jql s ARG 111 Cb -0.09 -2.86 -0.08 0.00 -1.56 0.00 0.00 34.95 30.36 2jql s ARG 111 CO 0.02 0.04 1.13 -0.51 -0.81 0.00 0.00 175.30 175.17 2jql s LEU 112 N -2.04 4.47 0.00 -0.88 1.43 -1.21 -4.80 118.68 115.65 2jql s LEU 112 Ca 0.51 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.74 2jql s LEU 112 Cb -0.27 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.35 2jql s LEU 112 CO 0.34 -0.28 0.00 1.33 0.23 0.00 0.00 176.35 177.97 2jql n VAL 113 N 2.45 0.00 0.34 -1.59 0.24 -1.26 -4.90 118.33 113.60 2jql n VAL 113 Ca 0.03 0.00 0.23 0.00 -2.04 0.00 0.00 64.34 62.56 2jql n VAL 113 Cb 0.46 -0.03 1.19 0.00 -1.47 0.00 0.00 33.84 33.99 2jql n VAL 113 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2jql h LYS 114 N 0.00 0.00 -2.62 7.34 1.79 -2.02 -3.48 116.57 117.58 2jql h LYS 114 Ca 0.00 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 2jql h LYS 114 Cb 0.00 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 2jql h LYS 114 CO 0.00 0.00 -0.74 1.63 -1.08 0.00 0.00 179.45 179.26 2jql n LYS 115 N -3.09 -2.80 -3.35 3.15 4.01 -1.26 -4.90 118.16 109.92 2jql n LYS 115 Ca -0.03 2.20 -0.16 0.00 -0.51 0.00 0.00 58.31 59.81 2jql n LYS 115 Cb 0.08 -2.83 0.08 0.00 -0.51 0.00 0.00 35.03 31.86 2jql n LYS 115 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2jql n ASP 116 N -2.63 -2.77 -4.76 4.39 2.03 -1.26 -4.95 116.55 106.61 2jql n ASP 116 Ca -0.02 -0.61 -0.40 0.00 0.52 0.00 0.00 54.79 54.27 2jql n ASP 116 Cb 0.38 -4.99 -0.04 0.00 -0.72 0.00 0.00 41.12 35.75 2jql n ASP 116 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2jql s TYR 117 N -3.35 3.52 -0.27 -0.67 5.04 -1.03 -4.85 117.35 115.74 2jql s TYR 117 Ca 0.07 1.64 -0.12 0.00 -2.44 0.00 0.00 57.07 56.22 2jql s TYR 117 Cb -0.01 -3.33 -0.05 0.00 0.35 0.00 0.00 41.96 38.92 2jql s TYR 117 CO 0.71 -0.73 0.25 -1.50 -1.34 0.00 0.00 175.55 172.94 2jql s ILE 118 N -0.98 5.27 -0.18 3.14 1.10 -1.26 0.39 121.20 128.67 2jql s ILE 118 Ca 0.46 0.31 -0.08 0.00 -0.51 0.00 0.00 60.65 60.83 2jql s ILE 118 Cb -0.32 -3.59 -0.04 0.00 0.15 0.00 0.00 42.46 38.66 2jql s ILE 118 CO 0.41 0.23 0.07 -0.22 -2.11 0.00 0.00 174.94 173.32 2jql s LEU 119 N 1.80 3.89 0.51 8.50 0.20 0.29 -4.94 118.68 128.93 2jql s LEU 119 Ca 0.10 0.12 0.01 0.00 0.69 0.00 0.00 54.13 55.05 2jql s LEU 119 Cb -0.16 -1.99 -0.01 0.00 -0.43 0.00 0.00 46.19 43.60 2jql s LEU 119 CO 0.10 0.18 0.01 -0.75 -0.29 0.00 0.00 176.35 175.61 2jql s LYS 120 N 0.33 2.19 0.49 1.98 2.47 -1.26 -2.89 119.74 123.05 2jql s LYS 120 Ca 0.04 -2.38 -0.23 0.00 -1.56 0.00 0.00 55.97 51.84 2jql s LYS 120 Cb -0.12 -1.55 -0.07 0.00 -1.46 0.00 0.00 37.83 34.63 2jql s LYS 120 CO -0.00 -0.36 1.22 0.27 0.16 0.00 0.00 175.35 176.64 2jql n ASN 121 N -1.27 2.16 -2.01 1.43 6.94 -1.26 -2.75 115.26 118.50 2jql n ASN 121 Ca -0.18 1.01 -0.14 0.00 -0.02 0.00 0.00 54.58 55.25 2jql n ASN 121 Cb 0.67 -1.49 0.03 0.00 -2.36 0.00 0.00 39.78 36.63 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 0.91 -0.01 3.58 4.83 0.00 -0.27 -5.00 105.19 109.23 2jql n GLY 122 Ca 0.09 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 2jql n GLY 122 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jql s ASP 123 N -2.93 4.92 -0.18 1.61 1.11 -1.11 -4.95 116.67 115.15 2jql s ASP 123 Ca 0.23 -0.01 -0.05 0.00 0.18 0.00 0.00 52.55 52.89 2jql s ASP 123 Cb -0.10 -1.55 -0.03 0.00 1.07 0.00 0.00 42.92 42.31 2jql s ASP 123 CO 0.28 0.28 0.01 -0.13 1.18 0.00 0.00 175.17 176.79 2jql s ARG 124 N -0.29 3.75 -0.07 8.23 0.52 -1.26 -0.83 118.95 129.00 2jql s ARG 124 Ca 0.05 -0.46 0.05 0.00 -0.52 0.00 0.00 55.73 54.85 2jql s ARG 124 Cb -0.12 -3.07 -0.01 0.00 0.52 0.00 0.00 34.95 32.26 2jql s ARG 124 CO 0.02 0.17 -0.23 0.42 0.02 0.00 0.00 175.30 175.71 2jql s ILE 125 N 0.58 2.25 -0.19 1.52 1.09 0.25 -2.15 121.20 124.55 2jql s ILE 125 Ca -0.00 -0.99 -0.04 0.00 -1.10 0.00 0.00 60.65 58.52 2jql s ILE 125 Cb -0.14 -1.84 -0.02 0.00 -1.06 0.00 0.00 42.46 39.40 2jql s ILE 125 CO 0.02 0.57 -0.04 -0.69 -0.10 0.00 0.00 174.94 174.70 2jql s VAL 126 N -0.09 3.63 -0.29 2.92 1.01 0.14 0.49 120.40 128.20 2jql s VAL 126 Ca -0.05 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 2jql s VAL 126 Cb -0.14 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.63 2jql s VAL 126 CO 0.04 0.45 0.07 -0.36 0.00 0.00 0.00 175.10 175.29 2jql s PHE 127 N 1.00 3.15 0.00 5.22 0.40 0.33 -0.38 117.98 127.70 2jql s PHE 127 Ca 0.01 -1.09 0.00 0.00 -0.60 0.00 0.00 56.93 55.24 2jql s PHE 127 Cb -0.15 -2.23 0.00 0.00 0.51 0.00 0.00 43.02 41.15 2jql s PHE 127 CO 0.01 -0.61 0.00 0.41 0.70 0.00 0.00 175.22 175.73 2jql n GLY 128 N 4.84 1.91 0.00 4.36 0.00 -0.29 -3.45 105.19 112.56 2jql n GLY 128 Ca -0.15 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -4.70 118.16 118.78 2jql n LYS 129 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 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 0.43 -0.52 0.00 0.00 177.40 177.31 2jql n SER 130 N 0.00 2.98 -4.59 4.39 7.64 -1.26 -4.95 113.62 117.82 2jql n SER 130 Ca 0.00 -0.04 -0.42 0.00 1.01 0.00 0.00 58.87 59.42 2jql n SER 130 Cb 0.00 0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.29 2jql n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jql s SER 132 N 8.04 2.82 0.08 0.00 0.15 -1.24 0.12 113.70 123.67 2jql s SER 132 Ca 0.94 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 57.16 2jql s SER 132 Cb -0.28 -0.54 -0.04 0.00 -1.71 0.00 0.00 66.02 63.46 2jql s SER 132 CO 0.33 0.26 -0.07 -0.36 1.20 0.00 0.00 173.24 174.60 2jql s PHE 133 N -0.35 0.83 -0.02 3.44 0.40 0.18 0.66 117.98 123.12 2jql s PHE 133 Ca 0.03 -0.74 0.07 0.00 -0.60 0.00 0.00 56.93 55.69 2jql s PHE 133 Cb -0.11 -0.48 -0.02 0.00 0.51 0.00 0.00 43.02 42.92 2jql s PHE 133 CO 0.01 -0.11 -0.24 -1.17 0.70 0.00 0.00 175.22 174.40 2jql s LEU 134 N -2.47 2.05 -0.01 -0.37 0.20 0.99 0.86 118.68 119.93 2jql s LEU 134 Ca 0.03 -0.44 0.06 0.00 0.69 0.00 0.00 54.13 54.47 2jql s LEU 134 Cb -0.01 -1.25 -0.03 0.00 -0.43 0.00 0.00 46.19 44.47 2jql s LEU 134 CO -0.03 0.30 -0.19 0.12 -0.29 0.00 0.00 176.35 176.26 2jql s PHE 135 N -0.57 2.55 -0.06 5.38 2.19 -0.01 -0.18 117.98 127.28 2jql s PHE 135 Ca 0.09 -0.27 -0.22 0.00 0.33 0.00 0.00 56.93 56.87 2jql s PHE 135 Cb -0.09 -1.54 0.05 0.00 -1.31 0.00 0.00 43.02 40.12 2jql s PHE 135 CO -0.01 0.14 0.49 0.21 1.83 0.00 0.00 175.22 177.88 2jql s LYS 136 N -0.90 0.82 0.26 10.12 2.36 -1.16 -1.12 119.74 130.11 2jql s LYS 136 Ca 0.12 0.14 -0.30 0.00 -2.55 0.00 0.00 55.97 53.38 2jql s LYS 136 Cb -0.10 0.38 -0.09 0.00 -1.05 0.00 0.00 37.83 36.96 2jql s LYS 136 CO 0.01 -0.23 1.04 0.71 1.55 0.00 0.00 175.35 178.44 2jql s TYR 137 N -1.02 3.73 -0.07 4.03 2.02 -1.26 -1.95 117.35 122.84 2jql s TYR 137 Ca -0.10 1.78 0.21 0.00 -0.37 0.00 0.00 57.07 58.59 2jql s TYR 137 Cb -0.03 -3.17 0.43 0.00 -0.40 0.00 0.00 41.96 38.79 2jql s TYR 137 CO 0.06 -0.18 1.18 0.00 -1.57 0.00 0.00 175.55 175.04 2jql n ALA 138 N 1.36 2.76 -2.73 3.71 0.00 0.67 -4.88 120.51 121.40 2jql n ALA 138 Ca -0.01 -2.65 -0.28 0.00 0.00 0.00 0.00 53.44 50.50 2jql n ALA 138 Cb 0.46 -0.63 -0.03 0.00 0.00 0.00 0.00 19.45 19.24 2jql n ALA 138 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jql s SER 139 N -2.41 6.40 0.58 0.00 1.04 -0.60 -4.80 113.70 113.91 2jql s SER 139 Ca 0.35 0.46 0.00 0.00 0.48 0.00 0.00 55.95 57.24 2jql s SER 139 Cb 0.38 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 64.47 2jql s SER 139 CO -0.14 -0.06 0.00 -1.20 0.98 0.00 0.00 173.24 172.83 2jql n SER 140 N -0.65 -8.03 -2.50 7.02 7.64 -1.26 -4.77 113.62 111.07 2jql n SER 140 Ca -0.04 1.73 -0.20 0.00 1.01 0.00 0.00 58.87 61.36 2jql n SER 140 Cb 0.54 -4.85 -0.00 0.00 -1.01 0.00 0.00 64.21 58.88 2jql n SER 140 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jql n SER 141 N -2.95 -5.76 -3.30 6.43 7.64 -1.26 -4.94 113.62 109.47 2jql n SER 141 Ca -0.02 -0.04 -0.09 0.00 1.01 0.00 0.00 58.87 59.73 2jql n SER 141 Cb 0.51 -4.78 -0.06 0.00 -1.01 0.00 0.00 64.21 58.87 2jql n SER 141 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jql s SER 142 N -2.14 0.29 -0.19 6.43 0.01 -1.26 -5.00 113.70 111.83 2jql s SER 142 Ca 0.05 -0.69 0.15 0.00 1.31 0.00 0.00 55.95 56.76 2jql s SER 142 Cb -0.02 1.10 0.44 0.00 0.21 0.00 0.00 66.02 67.76 2jql s SER 142 CO 0.06 -0.31 1.19 0.35 0.41 0.00 0.00 173.24 174.93 2jql n THR 143 N 5.00 1.71 -3.72 1.44 -2.24 -1.26 -4.98 114.28 110.23 2jql n THR 143 Ca 0.04 -2.98 -0.29 0.00 -2.27 0.00 0.00 64.05 58.55 2jql n THR 143 Cb 0.49 -0.02 -0.16 0.00 -2.10 0.00 0.00 70.33 68.55 2jql n THR 143 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jql s ASP 144 N -3.14 3.49 -0.32 3.42 2.15 -1.26 -4.98 116.67 116.03 2jql s ASP 144 Ca 0.39 -1.23 0.10 0.00 0.43 0.00 0.00 52.55 52.24 2jql s ASP 144 Cb 0.38 -0.71 0.70 0.00 -0.30 0.00 0.00 42.92 42.99 2jql s ASP 144 CO -0.06 -0.36 1.76 -0.38 -0.17 0.00 0.00 175.17 175.96 2jql n ILE 145 N 4.97 2.88 -3.72 4.11 -0.00 -1.26 -4.93 119.36 121.41 2jql n ILE 145 Ca -0.06 -1.81 -0.10 0.00 -0.00 0.00 0.00 62.75 60.78 2jql n ILE 145 Cb 0.44 -0.36 -0.06 0.00 -0.00 0.00 0.00 39.64 39.67 2jql n ILE 145 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 2jql s GLU 146 N -3.05 0.96 -0.46 0.38 1.03 -1.26 -5.05 118.70 111.26 2jql s GLU 146 Ca 0.53 -0.75 0.04 0.00 0.03 0.00 0.00 54.97 54.82 2jql s GLU 146 Cb 0.43 0.41 0.63 0.00 -0.80 0.00 0.00 34.13 34.81 2jql s GLU 146 CO 0.11 -0.35 1.88 0.09 -1.33 0.00 0.00 175.26 175.67 2jql n ASN 147 N -0.06 4.04 -4.37 0.83 4.13 -1.26 -4.91 115.26 113.66 2jql n ASN 147 Ca -0.16 -3.65 -0.37 0.00 1.68 0.00 0.00 54.58 52.08 2jql n ASN 147 Cb 0.63 -0.83 -0.13 0.00 -1.54 0.00 0.00 39.78 37.91 2jql n ASN 147 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2jql s ASP 148 N -1.49 5.05 0.11 6.41 2.15 -1.26 -5.10 116.67 122.54 2jql s ASP 148 Ca 0.57 -0.51 0.04 0.00 0.43 0.00 0.00 52.55 53.07 2jql s ASP 148 Cb 0.48 -1.88 -0.04 0.00 -0.30 0.00 0.00 42.92 41.17 2jql s ASP 148 CO 0.09 -0.12 0.10 -1.81 -0.17 0.00 0.00 175.17 173.25 2jql s ASP 149 N 1.54 5.51 -0.27 -0.34 1.11 -1.26 -5.12 116.67 117.83 2jql s ASP 149 Ca 0.04 -0.06 -0.25 0.00 0.18 0.00 0.00 52.55 52.46 2jql s ASP 149 Cb -0.16 -1.46 0.08 0.00 1.07 0.00 0.00 42.92 42.45 2jql s ASP 149 CO 0.02 0.13 0.79 -0.70 1.18 0.00 0.00 175.17 176.59 2jql s GLU 150 N -2.65 0.76 -0.33 8.23 2.12 -1.26 -5.13 118.70 120.43 2jql s GLU 150 Ca 0.30 0.92 -0.00 0.00 0.36 0.00 0.00 54.97 56.54 2jql s GLU 150 Cb -0.11 0.36 0.13 0.00 0.26 0.00 0.00 34.13 34.77 2jql s GLU 150 CO 0.22 -0.09 0.23 0.15 -0.54 0.00 0.00 175.26 175.23 2jql s LYS 151 N 0.40 0.44 -0.37 4.30 1.02 -1.26 -5.06 119.74 119.21 2jql s LYS 151 Ca 0.00 -0.89 0.03 0.00 0.02 0.00 0.00 55.97 55.13 2jql s LYS 151 Cb -0.05 -1.07 0.16 0.00 -0.52 0.00 0.00 37.83 36.34 2jql s LYS 151 CO -0.01 -1.14 0.37 0.14 -0.92 0.00 0.00 175.35 173.79 2jql s VAL 152 N 1.56 -0.31 -0.10 3.17 -7.23 -1.26 -4.97 120.40 111.26 2jql s VAL 152 Ca 0.14 -1.03 0.04 0.00 -1.81 0.00 0.00 61.98 59.33 2jql s VAL 152 Cb -0.19 -0.68 -0.09 0.00 0.56 0.00 0.00 36.38 35.98 2jql s VAL 152 CO -0.14 -0.60 -0.04 -1.54 -0.31 0.00 0.00 175.10 172.47 2jql n SER 153 N 4.21 2.96 -3.86 4.85 3.41 -1.26 -4.87 113.62 119.06 2jql n SER 153 Ca 0.11 -0.03 -0.30 0.00 -0.26 0.00 0.00 58.87 58.39 2jql n SER 153 Cb 0.45 0.25 -0.14 0.00 -0.26 0.00 0.00 64.21 64.51 2jql n SER 153 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2jql s SER 154 N -4.63 4.07 0.06 4.04 0.15 -1.26 -5.10 113.70 111.03 2jql s SER 154 Ca -0.10 -2.90 -0.15 0.00 0.70 0.00 0.00 55.95 53.50 2jql s SER 154 Cb 0.03 -1.41 -0.06 0.00 -1.71 0.00 0.00 66.02 62.87 2jql s SER 154 CO 0.31 -0.24 0.47 -0.70 1.20 0.00 0.00 173.24 174.29 2jql s GLU 155 N -0.09 3.98 0.37 5.44 2.56 -1.26 -4.95 118.70 124.74 2jql s GLU 155 Ca 0.18 0.47 0.00 0.00 0.00 0.00 0.00 54.97 55.62 2jql s GLU 155 Cb -0.25 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 32.75 2jql s GLU 155 CO -0.00 0.62 0.00 0.43 -0.56 0.00 0.00 175.26 175.74 2jql n SER 156 N 1.46 -8.65 -4.73 -1.70 7.64 -1.26 -4.92 113.62 101.47 2jql n SER 156 Ca -0.11 0.66 -0.23 0.00 1.01 0.00 0.00 58.87 60.21 2jql n SER 156 Cb 0.52 -4.45 -0.06 0.00 -1.01 0.00 0.00 64.21 59.21 2jql n SER 156 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2jql s ARG 157 N -2.42 2.48 -0.34 1.43 1.81 -1.26 -5.04 118.95 115.61 2jql s ARG 157 Ca 0.00 -1.38 0.07 0.00 -1.72 0.00 0.00 55.73 52.70 2jql s ARG 157 Cb 0.00 -2.27 0.48 0.00 -0.45 0.00 0.00 34.95 32.71 2jql s ARG 157 CO 0.00 0.26 1.45 -1.13 -0.68 0.00 0.00 175.30 175.20 2jql n SER 158 N -1.08 3.78 0.00 0.23 3.41 -1.26 -5.28 113.62 113.41 2jql n SER 158 Ca -0.05 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 54.77 2jql n SER 158 Cb 0.60 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2jql n SER 158 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66