#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jql n ARG 20 N 0.00 0.74 0.02 1.64 1.74 -1.26 -5.09 116.66 114.45 2jql n ARG 20 Ca 0.00 -2.59 0.00 0.00 -0.77 0.00 0.00 57.85 54.49 2jql n ARG 20 Cb 0.00 2.60 0.00 0.00 -1.02 0.00 0.00 32.46 34.04 2jql n ARG 20 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2jql n GLN 21 N -0.55 0.00 -3.60 5.56 1.13 -1.26 -5.13 117.38 113.53 2jql n GLN 21 Ca -0.01 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.85 2jql n GLN 21 Cb 0.56 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.89 2jql n GLN 21 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2jql s GLN 22 N -2.00 2.76 0.31 -1.09 -1.52 -1.26 -5.14 119.66 111.73 2jql s GLN 22 Ca 0.00 -1.29 0.06 0.00 -1.95 0.00 0.00 55.36 52.18 2jql s GLN 22 Cb 0.00 -2.55 -0.03 0.00 -0.22 0.00 0.00 33.01 30.21 2jql s GLN 22 CO 0.00 -0.02 0.25 1.03 -0.25 0.00 0.00 175.29 176.30 2jql s ARG 23 N -4.10 1.67 0.03 2.91 0.52 -1.26 -5.07 118.95 113.66 2jql s ARG 23 Ca 0.45 -1.96 0.00 0.00 -0.52 0.00 0.00 55.73 53.69 2jql s ARG 23 Cb -0.06 0.27 0.00 0.00 0.52 0.00 0.00 34.95 35.67 2jql s ARG 23 CO 0.28 -0.60 0.00 0.45 0.02 0.00 0.00 175.30 175.46 2jql n SER 24 N -1.33 -9.56 -4.20 0.23 2.88 -1.26 -4.93 113.62 95.46 2jql n SER 24 Ca 0.06 1.83 -0.40 0.00 -1.33 0.00 0.00 58.87 59.03 2jql n SER 24 Cb 0.63 -5.21 -0.08 0.00 -0.75 0.00 0.00 64.21 58.80 2jql n SER 24 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2jql s ASN 25 N -0.59 5.70 -0.26 -3.46 0.01 -1.26 -4.83 114.94 110.24 2jql s ASN 25 Ca 0.00 -2.17 -0.05 0.00 -0.71 0.00 0.00 52.86 49.93 2jql s ASN 25 Cb 0.00 -1.99 0.02 0.00 0.41 0.00 0.00 41.25 39.69 2jql s ASN 25 CO 0.00 -0.61 0.10 0.29 -1.51 0.00 0.00 177.10 175.37 2jql n LYS 26 N 4.54 -3.95 -2.13 -0.60 4.01 -1.26 -4.95 118.16 113.81 2jql n LYS 26 Ca -0.02 3.07 -0.35 0.00 -0.51 0.00 0.00 58.31 60.49 2jql n LYS 26 Cb 0.41 -5.26 0.02 0.00 -0.51 0.00 0.00 35.03 29.69 2jql n LYS 26 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2jql s PRO 27 N -1.25 3.19 0.00 1.97 0.04 -1.26 -5.03 135.00 132.66 2jql s PRO 27 Ca -0.12 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2jql s PRO 27 Cb 0.01 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2jql s PRO 27 CO 0.79 -0.98 0.00 -1.13 0.04 0.00 0.00 177.00 175.72 2jql n SER 28 N -1.53 0.00 -2.32 6.66 3.41 -1.26 -5.12 113.62 113.46 2jql n SER 28 Ca 0.12 -0.72 -0.03 0.00 -0.26 0.00 0.00 58.87 57.98 2jql n SER 28 Cb 0.51 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 2jql n SER 28 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jql n SER 29 N -0.54 -3.32 -4.09 4.04 7.64 -1.26 -5.00 113.62 111.10 2jql n SER 29 Ca 0.00 1.30 -0.30 0.00 1.01 0.00 0.00 58.87 60.88 2jql n SER 29 Cb 0.00 -4.60 0.22 0.00 -1.01 0.00 0.00 64.21 58.82 2jql n SER 29 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2jql s GLU 30 N -0.76 -0.73 0.00 1.43 0.41 -1.26 -5.08 118.70 112.70 2jql s GLU 30 Ca -0.16 0.11 0.00 0.00 -0.41 0.00 0.00 54.97 54.51 2jql s GLU 30 Cb 0.01 -1.64 0.00 0.00 -1.78 0.00 0.00 34.13 30.72 2jql s GLU 30 CO 0.44 -3.42 0.00 0.66 -0.49 0.00 0.00 175.26 172.45 2jql n TYR 31 N -4.59 0.00 -3.76 1.61 4.02 -1.26 -5.12 117.16 108.07 2jql n TYR 31 Ca 0.10 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.84 2jql n TYR 31 Cb 0.59 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.75 2jql n TYR 31 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2jql s THR 32 N 2.26 -0.07 0.51 -0.72 -4.23 -1.26 -5.03 115.64 107.11 2jql s THR 32 Ca 0.00 0.24 -0.23 0.00 -1.18 0.00 0.00 61.69 60.52 2jql s THR 32 Cb 0.00 -0.10 -0.06 0.00 1.34 0.00 0.00 72.50 73.68 2jql s THR 32 CO 0.00 0.10 1.39 0.00 -0.54 0.00 0.00 174.62 175.57 2jql n LEU 34 N -0.73 0.00 -4.18 0.00 -0.00 -1.13 -4.90 117.00 106.06 2jql n LEU 34 Ca 0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.98 2jql n LEU 34 Cb 0.44 0.27 -0.10 0.00 -0.00 0.00 0.00 43.42 44.03 2jql n LEU 34 CO 0.55 -0.32 -0.28 -0.83 -0.00 0.00 0.00 177.39 176.51 2jql s GLY 35 N -2.01 1.18 0.12 -3.96 0.00 -1.05 -0.50 107.32 101.10 2jql s GLY 35 Ca 0.00 -1.57 0.03 0.00 0.00 0.00 0.00 44.72 43.18 2jql s GLY 35 CO 0.00 -1.41 -0.07 0.30 0.00 0.00 0.00 173.10 171.92 2jql s HIS 36 N -4.01 1.04 -0.19 1.90 3.76 -0.54 0.11 115.29 117.36 2jql s HIS 36 Ca 0.29 -0.87 0.01 0.00 -0.15 0.00 0.00 55.06 54.34 2jql s HIS 36 Cb 0.07 -0.57 0.04 0.00 1.11 0.00 0.00 32.58 33.23 2jql s HIS 36 CO 0.05 -0.07 -0.10 -0.51 -0.85 0.00 0.00 174.74 173.26 2jql s LEU 37 N -3.10 2.18 -0.25 0.89 1.43 0.12 -2.72 118.68 117.24 2jql s LEU 37 Ca 0.14 -0.84 -0.14 0.00 -1.03 0.00 0.00 54.13 52.25 2jql s LEU 37 Cb 0.04 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 2jql s LEU 37 CO -0.02 -0.14 0.35 -0.69 0.23 0.00 0.00 176.35 176.07 2jql s VAL 38 N 1.42 5.21 -0.32 -1.59 1.01 -0.58 -0.82 120.40 124.73 2jql s VAL 38 Ca -0.01 0.55 -0.21 0.00 0.00 0.00 0.00 61.98 62.31 2jql s VAL 38 Cb -0.16 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 2jql s VAL 38 CO -0.08 0.21 0.64 0.20 0.00 0.00 0.00 175.10 176.07 2jql s ASN 39 N 1.43 6.49 -0.46 3.32 0.01 -0.01 -0.61 114.94 125.11 2jql s ASN 39 Ca 0.15 0.38 -0.16 0.00 -0.71 0.00 0.00 52.86 52.52 2jql s ASN 39 Cb -0.15 -2.34 0.05 0.00 0.41 0.00 0.00 41.25 39.22 2jql s ASN 39 CO 0.09 -0.52 0.40 -0.76 -1.51 0.00 0.00 177.10 174.80 2jql s LEU 40 N 2.66 5.34 -0.00 0.60 1.02 0.11 -3.02 118.68 125.40 2jql s LEU 40 Ca 0.26 -1.10 0.07 0.00 0.02 0.00 0.00 54.13 53.37 2jql s LEU 40 Cb -0.15 -2.23 -0.02 0.00 0.02 0.00 0.00 46.19 43.82 2jql s LEU 40 CO 0.13 -0.62 -0.21 -0.63 0.02 0.00 0.00 176.35 175.04 2jql s ILE 41 N 1.81 1.64 -1.01 -0.59 1.09 -1.17 -4.55 121.20 118.44 2jql s ILE 41 Ca 0.06 -0.97 -0.23 0.00 -1.10 0.00 0.00 60.65 58.41 2jql s ILE 41 Cb -0.22 -1.38 -0.02 0.00 -1.06 0.00 0.00 42.46 39.78 2jql s ILE 41 CO 0.09 0.40 1.80 -2.16 -0.10 0.00 0.00 174.94 174.96 2jql s PRO 42 N -0.67 2.93 0.00 2.79 0.04 -1.26 -2.44 135.00 136.40 2jql s PRO 42 Ca 0.08 -0.77 0.00 0.00 0.04 0.00 0.00 61.00 60.35 2jql s PRO 42 Cb -0.08 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.25 2jql s PRO 42 CO -0.00 -3.07 0.00 0.41 0.04 0.00 0.00 177.00 174.38 2jql n GLY 43 N 6.60 1.86 0.00 0.56 0.00 -1.26 -5.11 105.19 107.83 2jql n GLY 43 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.27 0.00 -3.73 1.61 4.81 -1.02 -5.18 118.16 114.37 2jql n LYS 44 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 2jql n LYS 44 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 2jql n LYS 44 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2jql s GLU 45 N -2.00 0.60 -0.00 1.64 2.12 -1.26 -3.05 118.70 116.75 2jql s GLU 45 Ca 0.00 0.19 0.01 0.00 0.36 0.00 0.00 54.97 55.53 2jql s GLU 45 Cb 0.00 0.28 -0.00 0.00 0.26 0.00 0.00 34.13 34.67 2jql s GLU 45 CO 0.00 -0.13 -0.03 -0.65 -0.54 0.00 0.00 175.26 173.90 2jql s GLN 46 N -0.60 0.26 -0.17 4.30 -0.21 -1.17 -5.02 119.66 117.06 2jql s GLN 46 Ca -0.07 -0.11 -0.02 0.00 0.02 0.00 0.00 55.36 55.18 2jql s GLN 46 Cb -0.04 -0.25 -0.01 0.00 1.00 0.00 0.00 33.01 33.71 2jql s GLN 46 CO 0.03 0.07 -0.09 0.21 -2.12 0.00 0.00 175.29 173.39 2jql s LYS 47 N -0.07 3.40 0.10 2.91 2.20 -1.26 -0.83 119.74 126.18 2jql s LYS 47 Ca 0.01 -0.65 0.09 0.00 -0.36 0.00 0.00 55.97 55.06 2jql s LYS 47 Cb -0.01 -2.80 -0.04 0.00 -1.51 0.00 0.00 37.83 33.48 2jql s LYS 47 CO -0.00 0.05 -0.24 0.08 -0.36 0.00 0.00 175.35 174.88 2jql s VAL 48 N 0.81 1.95 -0.05 4.02 1.01 -0.00 -5.00 120.40 123.14 2jql s VAL 48 Ca -0.03 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 60.37 2jql s VAL 48 Cb -0.15 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 2jql s VAL 48 CO 0.01 0.06 -0.01 -1.83 0.00 0.00 0.00 175.10 173.33 2jql s GLU 49 N -1.84 2.85 -0.11 2.72 -1.05 -1.26 0.14 118.70 120.16 2jql s GLU 49 Ca 0.10 -0.52 0.02 0.00 -0.15 0.00 0.00 54.97 54.41 2jql s GLU 49 Cb -0.10 -2.70 -0.01 0.00 -0.44 0.00 0.00 34.13 30.88 2jql s GLU 49 CO 0.04 0.66 -0.17 0.42 0.95 0.00 0.00 175.26 177.17 2jql s ILE 50 N -0.96 2.71 0.39 1.83 -1.09 0.30 -4.84 121.20 119.54 2jql s ILE 50 Ca 0.16 -0.79 0.08 0.00 -2.23 0.00 0.00 60.65 57.86 2jql s ILE 50 Cb -0.11 -2.10 -0.02 0.00 -1.58 0.00 0.00 42.46 38.65 2jql s ILE 50 CO 0.06 0.54 0.35 0.42 -1.23 0.00 0.00 174.94 175.08 2jql s THR 51 N 0.19 2.98 -1.26 2.92 -4.23 -1.26 -2.53 115.64 112.44 2jql s THR 51 Ca -0.10 -1.35 -0.07 0.00 -1.18 0.00 0.00 61.69 58.99 2jql s THR 51 Cb -0.16 -3.06 0.18 0.00 1.34 0.00 0.00 72.50 70.80 2jql s THR 51 CO 0.06 -0.06 1.97 -0.46 -0.54 0.00 0.00 174.62 175.59 2jql n ASN 52 N -1.49 6.15 -0.56 3.99 0.23 -1.15 -4.68 115.26 117.74 2jql n ASN 52 Ca 0.02 -3.18 0.05 0.00 -0.53 0.00 0.00 54.58 50.94 2jql n ASN 52 Cb 0.61 -1.41 0.13 0.00 -2.08 0.00 0.00 39.78 37.03 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 2.82 1.70 0.00 -3.83 0.63 -1.26 -4.89 116.66 111.84 2jql n ARG 53 Ca 0.45 -1.09 0.00 0.00 -0.92 0.00 0.00 57.85 56.29 2jql n ARG 53 Cb 0.32 -1.24 0.00 0.00 0.45 0.00 0.00 32.46 32.00 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 0.38 0.00 -3.90 6.15 5.15 -0.82 -4.75 115.26 117.47 2jql n ASN 54 Ca 0.10 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.93 2jql n ASN 54 Cb 0.26 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.36 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 0.24 -0.08 3.44 1.01 -1.26 -1.53 120.40 122.22 2jql s VAL 55 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2jql s VAL 55 Cb 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 36.15 2jql s VAL 55 CO 0.00 0.09 -0.17 -0.89 0.00 0.00 0.00 175.10 174.14 2jql s THR 56 N 0.22 1.50 -0.12 3.92 2.01 0.51 -4.88 115.64 118.80 2jql s THR 56 Ca -0.02 -0.68 -0.05 0.00 0.31 0.00 0.00 61.69 61.25 2jql s THR 56 Cb -0.05 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 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 0.62 4.81 -0.14 -0.82 -4.23 -1.26 -0.04 115.64 114.58 2jql s THR 57 Ca -0.15 -0.05 -0.00 0.00 -1.18 0.00 0.00 61.69 60.31 2jql s THR 57 Cb -0.16 -3.08 0.03 0.00 1.34 0.00 0.00 72.50 70.63 2jql s THR 57 CO 0.04 0.58 -0.08 -0.63 -0.54 0.00 0.00 174.62 174.00 2jql s ILE 58 N -0.68 1.14 -0.14 2.99 1.01 -0.81 0.13 121.20 124.84 2jql s ILE 58 Ca 0.12 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.30 2jql s ILE 58 Cb -0.12 -1.20 0.00 0.00 0.01 0.00 0.00 42.46 41.15 2jql s ILE 58 CO 0.02 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.87 2jql n GLY 59 N 4.89 -0.92 0.10 6.18 0.00 -0.99 -3.09 105.19 111.35 2jql n GLY 59 Ca -0.13 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 0.87 -1.00 1.61 0.63 -1.23 -2.63 116.66 114.91 2jql n ARG 60 Ca 0.00 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.58 2jql n ARG 60 Cb 0.00 -1.49 0.07 0.00 0.45 0.00 0.00 32.46 31.49 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 -2.74 -3.56 0.05 6.15 2.88 -1.26 -4.92 113.62 110.21 2jql n SER 61 Ca -0.32 0.35 -0.16 0.00 -1.33 0.00 0.00 58.87 57.42 2jql n SER 61 Cb 1.11 -1.01 -0.14 0.00 -0.75 0.00 0.00 64.21 63.42 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 -0.98 0.21 0.00 -1.46 2.43 -1.97 -3.30 114.38 109.31 2jql h ARG 62 Ca -0.44 -0.36 -0.02 0.00 -0.81 0.00 0.00 59.98 58.36 2jql h ARG 62 Cb 1.32 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 31.00 2jql h ARG 62 CO 0.32 1.04 -0.07 1.03 -1.51 0.00 0.00 179.97 180.78 2jql h SER 63 N 0.06 0.00 -3.38 -3.80 0.87 -2.00 -3.45 113.55 101.84 2jql h SER 63 Ca -0.26 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 59.75 2jql h SER 63 Cb 2.01 0.00 0.20 0.00 -0.44 0.00 0.00 62.40 64.16 2jql h SER 63 CO 0.14 0.07 -0.37 0.00 -0.53 0.00 0.00 176.83 176.14 2jql h ASP 65 N -0.80 -0.36 -3.39 0.00 5.19 0.69 -3.45 116.42 114.30 2jql h ASP 65 Ca -0.45 -0.05 -0.65 0.00 -0.62 0.00 0.00 57.03 55.26 2jql h ASP 65 Cb 1.32 0.09 -0.23 0.00 0.18 0.00 0.00 39.33 40.70 2jql h ASP 65 CO 0.40 0.10 -0.70 -0.69 -3.12 0.00 0.00 179.24 175.23 2jql s VAL 66 N -3.14 3.58 -0.49 -1.35 1.01 0.18 -4.93 120.40 115.26 2jql s VAL 66 Ca -0.08 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 2jql s VAL 66 Cb 0.01 -2.53 0.07 0.00 0.00 0.00 0.00 36.38 33.93 2jql s VAL 66 CO 0.25 0.52 0.51 0.27 0.00 0.00 0.00 175.10 176.66 2jql s ILE 67 N 0.13 5.07 0.00 2.22 -5.25 -1.26 -2.35 121.20 119.75 2jql s ILE 67 Ca -0.03 -0.84 0.00 0.00 -0.99 0.00 0.00 60.65 58.79 2jql s ILE 67 Cb -0.14 -4.22 0.00 0.00 2.95 0.00 0.00 42.46 41.05 2jql s ILE 67 CO 0.04 -0.71 0.00 -0.11 -1.79 0.00 0.00 174.94 172.37 2jql n LEU 68 N 5.66 0.00 0.00 0.37 7.94 -1.08 -4.93 117.00 124.96 2jql n LEU 68 Ca -0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.80 2jql n LEU 68 Cb 0.44 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.39 2jql n LEU 68 CO 0.51 -0.03 0.02 -0.24 -1.11 0.00 0.00 177.39 176.53 2jql n SER 69 N 0.00 0.00 0.00 1.96 2.88 -1.26 -4.96 113.62 112.24 2jql n SER 69 Ca 0.00 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2jql n SER 69 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2jql n SER 69 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jql n GLU 70 N -0.09 0.00 0.11 -1.46 1.02 -1.26 -4.93 120.64 114.03 2jql n GLU 70 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 2jql n GLU 70 Cb 0.00 0.00 0.46 0.00 -0.02 0.00 0.00 31.44 31.88 2jql n GLU 70 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2jql n PRO 71 N 0.00 0.15 -1.09 3.49 -0.04 -1.26 -3.11 135.00 133.14 2jql n PRO 71 Ca 0.00 0.45 0.02 0.00 -0.04 0.00 0.00 63.50 63.94 2jql n PRO 71 Cb 0.00 -1.83 0.01 0.00 -0.04 0.00 0.00 33.50 31.65 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 -2.11 0.62 -4.71 3.54 8.00 -1.26 -5.09 116.55 115.54 2jql n ASP 72 Ca 0.01 -2.02 -0.33 0.00 0.71 0.00 0.00 54.79 53.16 2jql n ASP 72 Cb 0.17 -0.26 -0.08 0.00 -0.02 0.00 0.00 41.12 40.92 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 -0.05 4.35 -0.06 0.53 1.10 -1.18 -4.98 121.20 120.92 2jql s ILE 73 Ca 0.21 -0.52 -0.22 0.00 -0.51 0.00 0.00 60.65 59.61 2jql s ILE 73 Cb 0.24 -2.95 -0.04 0.00 0.15 0.00 0.00 42.46 39.85 2jql s ILE 73 CO -0.10 0.38 0.66 -0.44 -2.11 0.00 0.00 174.94 173.33 2jql s SER 74 N -1.58 6.96 0.41 4.50 0.01 -1.26 -4.32 113.70 118.42 2jql s SER 74 Ca 0.20 1.15 0.12 0.00 1.31 0.00 0.00 55.95 58.73 2jql s SER 74 Cb -0.12 -2.39 0.95 0.00 0.21 0.00 0.00 66.02 64.67 2jql s SER 74 CO 0.11 -0.07 1.94 0.74 0.41 0.00 0.00 173.24 176.37 2jql h THR 75 N 4.64 0.88 -0.27 1.44 2.02 -1.90 -1.11 112.91 118.61 2jql h THR 75 Ca -0.42 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.58 2jql h THR 75 Cb 1.20 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 2jql h THR 75 CO 0.74 0.10 0.00 0.49 0.37 0.00 0.00 175.52 177.22 2jql n PHE 76 N -4.49 0.58 -0.02 3.16 3.01 -1.26 -4.49 117.46 113.95 2jql n PHE 76 Ca 0.12 -0.66 -0.01 0.00 1.01 0.00 0.00 57.45 57.91 2jql n PHE 76 Cb 0.40 -0.14 -0.01 0.00 -0.01 0.00 0.00 39.48 39.73 2jql n PHE 76 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2jql n HIS 77 N -0.05 -0.02 -3.87 1.38 -0.00 -0.42 -4.53 115.22 107.70 2jql n HIS 77 Ca 0.14 0.07 -0.09 0.00 0.46 0.00 0.00 57.72 58.30 2jql n HIS 77 Cb 0.59 -0.25 -0.06 0.00 -0.12 0.00 0.00 29.99 30.15 2jql n HIS 77 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jql s ALA 78 N -3.65 -0.32 -0.01 1.57 0.00 -1.18 -2.37 121.76 115.80 2jql s ALA 78 Ca -0.01 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.34 2jql s ALA 78 Cb 0.01 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.93 2jql s ALA 78 CO 0.03 -0.67 -0.05 -1.21 0.00 0.00 0.00 175.76 173.87 2jql s GLU 79 N -3.92 0.47 -0.09 0.00 2.02 -1.21 -1.92 118.70 114.05 2jql s GLU 79 Ca 0.13 -0.15 0.04 0.00 0.02 0.00 0.00 54.97 55.01 2jql s GLU 79 Cb 0.02 -0.48 -0.00 0.00 0.10 0.00 0.00 34.13 33.77 2jql s GLU 79 CO -0.03 0.06 -0.23 -0.06 0.02 0.00 0.00 175.26 175.02 2jql s PHE 80 N 0.15 2.56 -0.32 1.61 0.40 0.94 -1.49 117.98 121.83 2jql s PHE 80 Ca -0.01 -0.94 -0.17 0.00 -0.60 0.00 0.00 56.93 55.21 2jql s PHE 80 Cb -0.05 -1.70 -0.02 0.00 0.51 0.00 0.00 43.02 41.77 2jql s PHE 80 CO -0.00 -0.35 0.44 -1.01 0.70 0.00 0.00 175.22 175.00 2jql s HIS 81 N 0.22 3.21 -0.37 0.36 3.76 -0.81 0.19 115.29 121.86 2jql s HIS 81 Ca -0.15 0.24 -0.09 0.00 -0.15 0.00 0.00 55.06 54.91 2jql s HIS 81 Cb -0.17 -2.76 0.04 0.00 1.11 0.00 0.00 32.58 30.80 2jql s HIS 81 CO 0.08 -0.41 0.18 -0.51 -0.85 0.00 0.00 174.74 173.23 2jql s LEU 82 N 2.22 4.66 -0.02 0.89 1.02 -0.58 -1.98 118.68 124.89 2jql s LEU 82 Ca 0.16 -1.11 0.07 0.00 0.02 0.00 0.00 54.13 53.28 2jql s LEU 82 Cb -0.16 -1.97 -0.02 0.00 0.02 0.00 0.00 46.19 44.06 2jql s LEU 82 CO 0.12 -0.39 -0.23 -0.22 0.02 0.00 0.00 176.35 175.65 2jql s LEU 83 N 1.49 2.05 -0.18 1.79 0.20 -1.18 -1.95 118.68 120.90 2jql s LEU 83 Ca 0.01 -0.42 -0.10 0.00 0.69 0.00 0.00 54.13 54.31 2jql s LEU 83 Cb -0.20 -1.18 -0.05 0.00 -0.43 0.00 0.00 46.19 44.33 2jql s LEU 83 CO 0.05 0.28 0.15 -1.58 -0.29 0.00 0.00 176.35 174.96 2jql s GLN 84 N -0.56 4.09 -0.25 1.98 -0.44 -1.26 -2.70 119.66 120.52 2jql s GLN 84 Ca 0.09 -0.18 -0.06 0.00 -2.50 0.00 0.00 55.36 52.71 2jql s GLN 84 Cb -0.09 -3.39 -0.01 0.00 -1.64 0.00 0.00 33.01 27.88 2jql s GLN 84 CO -0.01 0.36 0.05 1.41 0.50 0.00 0.00 175.29 177.60 2jql s MET 85 N 0.17 3.45 -0.19 1.67 1.75 -0.44 -5.02 119.30 120.70 2jql s MET 85 Ca 0.10 -0.60 -0.25 0.00 -1.25 0.00 0.00 55.69 53.68 2jql s MET 85 Cb -0.11 -3.26 -0.01 0.00 2.84 0.00 0.00 34.83 34.28 2jql s MET 85 CO -0.01 -0.25 0.84 0.16 -0.65 0.00 0.00 175.02 175.11 2jql s ASP 86 N 1.56 6.94 -0.00 1.11 -4.77 -1.26 -2.52 116.67 117.72 2jql s ASP 86 Ca 0.05 1.16 -0.00 0.00 -3.30 0.00 0.00 52.55 50.46 2jql s ASP 86 Cb -0.15 -2.45 0.00 0.00 -1.09 0.00 0.00 42.92 39.22 2jql s ASP 86 CO 0.02 -0.43 0.00 -0.69 0.70 0.00 0.00 175.17 174.76 2jql s VAL 87 N 2.34 -0.00 0.05 2.11 1.01 -1.26 -5.01 120.40 119.63 2jql s VAL 87 Ca 0.38 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.25 2jql s VAL 87 Cb -0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 2jql s VAL 87 CO 0.11 0.01 1.20 -0.78 0.00 0.00 0.00 175.10 175.64 2jql h ASP 88 N 6.22 -0.71 0.00 3.32 1.82 -2.03 -3.24 116.42 121.79 2jql h ASP 88 Ca -0.25 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.48 2jql h ASP 88 Cb 1.20 0.30 0.00 0.00 0.68 0.00 0.00 39.33 41.51 2jql h ASP 88 CO 0.51 -0.14 0.00 0.59 -1.61 0.00 0.00 179.24 178.59 2jql n ASN 89 N -3.71 0.00 -3.98 2.28 5.03 -1.26 -4.85 115.26 108.77 2jql n ASN 89 Ca -0.01 0.50 -0.10 0.00 0.87 0.00 0.00 54.58 55.84 2jql n ASN 89 Cb 0.12 -0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 38.76 2jql n ASN 89 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2jql s PHE 90 N -1.01 0.31 -0.07 3.10 0.08 -1.22 -5.14 117.98 114.03 2jql s PHE 90 Ca 0.00 -0.43 -0.27 0.00 0.12 0.00 0.00 56.93 56.35 2jql s PHE 90 Cb 0.00 -0.21 -0.03 0.00 -0.57 0.00 0.00 43.02 42.22 2jql s PHE 90 CO 0.00 -0.13 0.87 -0.65 -0.10 0.00 0.00 175.22 175.21 2jql s GLN 91 N -1.20 4.45 -0.04 0.44 -0.21 -1.26 -4.26 119.66 117.58 2jql s GLN 91 Ca -0.12 1.18 0.06 0.00 0.02 0.00 0.00 55.36 56.50 2jql s GLN 91 Cb -0.08 -3.49 -0.02 0.00 1.00 0.00 0.00 33.01 30.42 2jql s GLN 91 CO -0.01 -0.11 -0.20 1.03 -2.12 0.00 0.00 175.29 173.88 2jql s ARG 92 N 1.33 2.36 -0.12 2.91 0.52 -1.05 -4.97 118.95 119.93 2jql s ARG 92 Ca 0.44 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 54.85 2jql s ARG 92 Cb -0.19 -2.22 -0.02 0.00 0.52 0.00 0.00 34.95 33.04 2jql s ARG 92 CO 0.20 0.57 -0.13 -0.80 0.02 0.00 0.00 175.30 175.16 2jql s ASN 93 N -0.61 4.03 -0.06 0.23 0.01 -1.26 -1.33 114.94 115.94 2jql s ASN 93 Ca 0.09 -0.30 -0.01 0.00 -0.71 0.00 0.00 52.86 51.93 2jql s ASN 93 Cb -0.11 -1.49 -0.04 0.00 0.41 0.00 0.00 41.25 40.03 2jql s ASN 93 CO 0.00 0.20 0.03 -0.76 -1.51 0.00 0.00 177.10 175.06 2jql s LEU 94 N 0.17 3.71 -0.05 0.60 1.02 -1.10 -4.98 118.68 118.04 2jql s LEU 94 Ca -0.07 0.15 0.05 0.00 0.02 0.00 0.00 54.13 54.28 2jql s LEU 94 Cb -0.15 -1.97 -0.02 0.00 0.02 0.00 0.00 46.19 44.07 2jql s LEU 94 CO 0.05 0.34 -0.19 -0.63 0.02 0.00 0.00 176.35 175.94 2jql s ILE 95 N -1.00 2.61 0.02 -0.59 -1.09 -1.11 -3.08 121.20 116.97 2jql s ILE 95 Ca 0.16 -0.88 0.06 0.00 -2.23 0.00 0.00 60.65 57.76 2jql s ILE 95 Cb -0.12 -1.99 -0.03 0.00 -1.58 0.00 0.00 42.46 38.75 2jql s ILE 95 CO 0.06 0.58 -0.16 0.21 -1.23 0.00 0.00 174.94 174.40 2jql s ASN 96 N -0.54 3.95 -0.08 3.58 2.47 -0.84 0.11 114.94 123.59 2jql s ASN 96 Ca 0.07 -0.35 0.03 0.00 0.42 0.00 0.00 52.86 53.03 2jql s ASN 96 Cb -0.11 -0.72 -0.02 0.00 -1.45 0.00 0.00 41.25 38.95 2jql s ASN 96 CO 0.01 0.27 -0.16 -0.69 -3.72 0.00 0.00 177.10 172.81 2jql s VAL 97 N -0.90 2.82 -0.03 -5.21 1.01 0.51 -1.93 120.40 116.67 2jql s VAL 97 Ca 0.15 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.40 2jql s VAL 97 Cb -0.11 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 2jql s VAL 97 CO 0.05 0.56 -0.20 -0.63 0.00 0.00 0.00 175.10 174.88 2jql s ILE 98 N -0.18 1.62 -0.30 2.22 1.01 -0.55 -2.76 121.20 122.26 2jql s ILE 98 Ca -0.01 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 59.72 2jql s ILE 98 Cb -0.13 -1.37 0.01 0.00 0.01 0.00 0.00 42.46 40.97 2jql s ILE 98 CO 0.03 0.46 0.09 -0.62 0.00 0.00 0.00 174.94 174.90 2jql s ASP 99 N -0.22 5.17 -0.34 3.58 -1.08 -1.26 -3.29 116.67 119.23 2jql s ASP 99 Ca 0.01 -0.69 0.16 0.00 -0.52 0.00 0.00 52.55 51.51 2jql s ASP 99 Cb -0.10 -1.89 0.44 0.00 -1.46 0.00 0.00 42.92 39.90 2jql s ASP 99 CO 0.01 -0.19 0.99 0.29 0.52 0.00 0.00 175.17 176.79 2jql n LYS 100 N 4.88 1.13 -4.59 4.34 4.76 -1.00 -5.06 118.16 122.63 2jql n LYS 100 Ca -0.14 -3.03 -0.27 0.00 -2.87 0.00 0.00 58.31 52.00 2jql n LYS 100 Cb 0.48 -1.11 -0.10 0.00 -1.84 0.00 0.00 35.03 32.46 2jql n LYS 100 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2jql s SER 101 N -2.73 3.35 -0.10 4.39 0.01 -1.17 -4.19 113.70 113.26 2jql s SER 101 Ca 0.28 -1.47 0.08 0.00 1.31 0.00 0.00 55.95 56.14 2jql s SER 101 Cb 0.44 0.01 -0.11 0.00 0.21 0.00 0.00 66.02 66.56 2jql s SER 101 CO 0.01 -0.64 0.02 0.54 0.41 0.00 0.00 173.24 173.57 2jql n ARG 102 N -0.94 2.23 0.00 12.44 1.74 -1.26 -4.80 116.66 126.07 2jql n ARG 102 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 2jql n ARG 102 Cb 0.67 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 2jql n ARG 102 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2jql n ASN 103 N -2.40 0.00 0.00 0.55 3.02 -1.26 -5.03 115.26 110.14 2jql n ASN 103 Ca -0.16 0.64 0.00 0.00 -0.03 0.00 0.00 54.58 55.02 2jql n ASN 103 Cb 0.80 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 2jql n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jql n GLY 104 N 0.07 2.42 2.88 7.41 0.00 -1.26 -5.04 105.19 111.67 2jql n GLY 104 Ca 0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.22 0.77 -0.16 2.61 2.01 -1.26 -0.83 115.64 117.56 2jql s THR 105 Ca 0.00 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 61.85 2jql s THR 105 Cb 0.00 -0.81 0.02 0.00 0.01 0.00 0.00 72.50 71.71 2jql s THR 105 CO 0.00 0.31 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.69 2jql s PHE 106 N 1.52 2.61 -0.05 4.92 0.40 -0.16 -3.34 117.98 123.87 2jql s PHE 106 Ca -0.00 -1.48 0.05 0.00 -0.60 0.00 0.00 56.93 54.90 2jql s PHE 106 Cb -0.13 -1.82 -0.02 0.00 0.51 0.00 0.00 43.02 41.56 2jql s PHE 106 CO -0.04 -0.73 -0.21 -1.50 0.70 0.00 0.00 175.22 173.44 2jql s ILE 107 N 1.22 2.45 -1.73 0.64 1.10 0.38 0.11 121.20 125.37 2jql s ILE 107 Ca 0.02 -0.94 -0.01 0.00 -0.51 0.00 0.00 60.65 59.22 2jql s ILE 107 Cb -0.14 -1.92 0.00 0.00 0.15 0.00 0.00 42.46 40.56 2jql s ILE 107 CO -0.10 0.57 0.12 0.59 -2.11 0.00 0.00 174.94 174.01 2jql n ASN 108 N 2.70 -5.94 -0.21 4.50 5.03 0.32 -1.02 115.26 120.64 2jql n ASN 108 Ca -0.17 -0.07 -0.03 0.00 0.87 0.00 0.00 54.58 55.18 2jql n ASN 108 Cb 0.52 -4.91 -0.01 0.00 -1.02 0.00 0.00 39.78 34.36 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 -1.12 0.53 3.12 7.41 0.00 -1.26 -4.99 105.19 108.88 2jql n GLY 109 Ca -0.22 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 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 1.20 0.37 1.61 0.02 -0.19 -5.13 114.94 110.54 2jql s ASN 110 Ca 0.00 -0.66 -0.26 0.00 -1.02 0.00 0.00 52.86 50.91 2jql s ASN 110 Cb 0.00 0.02 -0.09 0.00 0.02 0.00 0.00 41.25 41.20 2jql s ASN 110 CO 0.00 -0.21 1.18 -0.60 0.02 0.00 0.00 177.10 177.49 2jql s ARG 111 N -2.07 4.19 -0.15 -0.60 3.52 -1.26 -0.47 118.95 122.11 2jql s ARG 111 Ca -0.03 1.90 -0.29 0.00 -0.13 0.00 0.00 55.73 57.18 2jql s ARG 111 Cb -0.07 -2.82 -0.01 0.00 -1.56 0.00 0.00 34.95 30.49 2jql s ARG 111 CO 0.00 -0.22 1.14 -1.17 -0.81 0.00 0.00 175.30 174.25 2jql s LEU 112 N -2.22 4.19 -0.04 -0.88 0.20 -1.21 -4.85 118.68 113.87 2jql s LEU 112 Ca 0.54 1.60 0.25 0.00 0.69 0.00 0.00 54.13 57.20 2jql s LEU 112 Cb -0.32 -3.55 0.44 0.00 -0.43 0.00 0.00 46.19 42.33 2jql s LEU 112 CO 0.41 -0.65 1.17 1.33 -0.29 0.00 0.00 176.35 178.32 2jql n VAL 113 N 5.08 0.26 -3.82 1.68 0.24 -1.26 -5.06 118.33 115.44 2jql n VAL 113 Ca 0.12 -1.32 -0.12 0.00 -2.04 0.00 0.00 64.34 60.98 2jql n VAL 113 Cb 0.46 0.94 -0.09 0.00 -1.47 0.00 0.00 33.84 33.67 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 -0.53 0.57 0.05 7.34 -0.14 -1.26 -5.16 119.74 120.60 2jql s LYS 114 Ca 0.34 -0.29 -0.14 0.00 -1.36 0.00 0.00 55.97 54.52 2jql s LYS 114 Cb 0.38 0.24 -0.06 0.00 -1.68 0.00 0.00 37.83 36.72 2jql s LYS 114 CO -0.15 -0.15 0.45 0.15 -0.76 0.00 0.00 175.35 174.89 2jql s LYS 115 N -1.32 3.93 -0.62 1.68 -0.14 -1.26 -4.53 119.74 117.48 2jql s LYS 115 Ca -0.14 0.42 -0.01 0.00 -1.36 0.00 0.00 55.97 54.88 2jql s LYS 115 Cb -0.06 -3.13 0.00 0.00 -1.68 0.00 0.00 37.83 32.96 2jql s LYS 115 CO 0.03 0.62 0.60 -3.47 -0.76 0.00 0.00 175.35 172.37 2jql n ASP 116 N 1.45 -7.06 -4.77 2.83 2.03 -1.26 -4.98 116.55 104.79 2jql n ASP 116 Ca -0.11 -0.02 -0.39 0.00 0.52 0.00 0.00 54.79 54.78 2jql n ASP 116 Cb 0.52 -4.76 -0.06 0.00 -0.72 0.00 0.00 41.12 36.10 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 -2.96 3.88 -0.30 -0.67 5.04 -1.11 -4.93 117.35 116.31 2jql s TYR 117 Ca 0.02 1.62 -0.13 0.00 -2.44 0.00 0.00 57.07 56.13 2jql s TYR 117 Cb -0.00 -2.78 -0.03 0.00 0.35 0.00 0.00 41.96 39.49 2jql s TYR 117 CO 0.65 0.48 0.27 -1.50 -1.34 0.00 0.00 175.55 174.10 2jql s ILE 118 N -0.97 5.25 -0.03 3.14 1.10 -1.26 -0.36 121.20 128.07 2jql s ILE 118 Ca 0.36 0.14 -0.02 0.00 -0.51 0.00 0.00 60.65 60.62 2jql s ILE 118 Cb -0.23 -3.65 -0.04 0.00 0.15 0.00 0.00 42.46 38.69 2jql s ILE 118 CO 0.26 0.11 0.10 -0.22 -2.11 0.00 0.00 174.94 173.09 2jql s LEU 119 N 1.86 4.04 0.35 8.50 0.20 0.30 -4.95 118.68 128.97 2jql s LEU 119 Ca 0.09 0.24 0.05 0.00 0.69 0.00 0.00 54.13 55.20 2jql s LEU 119 Cb -0.16 -2.26 -0.03 0.00 -0.43 0.00 0.00 46.19 43.30 2jql s LEU 119 CO 0.11 0.30 0.21 -0.54 -0.29 0.00 0.00 176.35 176.14 2jql s LYS 120 N -1.58 1.78 0.38 1.98 1.02 -1.26 -2.75 119.74 119.31 2jql s LYS 120 Ca 0.22 -2.05 -0.27 0.00 0.02 0.00 0.00 55.97 53.88 2jql s LYS 120 Cb -0.12 -0.04 -0.11 0.00 -0.52 0.00 0.00 37.83 37.04 2jql s LYS 120 CO 0.12 -0.56 1.44 0.27 -0.92 0.00 0.00 175.35 175.69 2jql n ASN 121 N -1.35 3.50 -1.36 2.83 6.94 -1.26 -3.16 115.26 121.38 2jql n ASN 121 Ca 0.02 1.20 -0.06 0.00 -0.02 0.00 0.00 54.58 55.73 2jql n ASN 121 Cb 0.64 -1.59 0.02 0.00 -2.36 0.00 0.00 39.78 36.49 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 0.54 0.49 3.08 4.83 0.00 -0.15 -4.98 105.19 109.00 2jql n GLY 122 Ca 0.03 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.15 3.16 -0.27 1.61 1.11 -1.17 -4.98 116.67 112.99 2jql s ASP 123 Ca 0.11 -0.70 -0.20 0.00 0.18 0.00 0.00 52.55 51.94 2jql s ASP 123 Cb -0.05 -1.38 -0.02 0.00 1.07 0.00 0.00 42.92 42.54 2jql s ASP 123 CO 0.18 -0.05 0.61 -0.13 1.18 0.00 0.00 175.17 176.96 2jql s ARG 124 N 1.34 4.05 -0.05 8.23 0.52 -1.26 -1.60 118.95 130.18 2jql s ARG 124 Ca 0.03 0.45 0.06 0.00 -0.52 0.00 0.00 55.73 55.75 2jql s ARG 124 Cb -0.14 -3.67 -0.02 0.00 0.52 0.00 0.00 34.95 31.65 2jql s ARG 124 CO -0.11 -0.44 -0.22 -1.50 0.02 0.00 0.00 175.30 173.05 2jql s ILE 125 N 2.49 2.39 -0.10 1.52 2.07 0.24 -0.52 121.20 129.29 2jql s ILE 125 Ca 0.25 -0.96 0.02 0.00 -1.41 0.00 0.00 60.65 58.55 2jql s ILE 125 Cb -0.15 -1.89 -0.01 0.00 0.13 0.00 0.00 42.46 40.54 2jql s ILE 125 CO 0.09 0.58 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.83 2jql s VAL 126 N -0.41 2.64 -0.06 4.00 1.01 0.30 -1.58 120.40 126.31 2jql s VAL 126 Ca 0.04 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.24 2jql s VAL 126 Cb -0.12 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 2jql s VAL 126 CO 0.02 0.55 -0.22 -0.36 0.00 0.00 0.00 175.10 175.09 2jql s PHE 127 N 0.10 2.18 0.00 5.22 0.08 0.10 -0.99 117.98 124.68 2jql s PHE 127 Ca -0.08 -0.68 0.00 0.00 0.12 0.00 0.00 56.93 56.29 2jql s PHE 127 Cb -0.15 -1.45 0.00 0.00 -0.57 0.00 0.00 43.02 40.85 2jql s PHE 127 CO 0.05 -0.22 0.00 0.41 -0.10 0.00 0.00 175.22 175.36 2jql n GLY 128 N 3.10 2.08 0.00 4.36 0.00 -0.01 -3.00 105.19 111.72 2jql n GLY 128 Ca -0.18 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.06 1.61 2.85 -1.26 -4.12 118.16 117.17 2jql n LYS 129 Ca 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.17 2jql n LYS 129 Cb 0.00 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.32 2jql n LYS 129 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2jql n SER 130 N 0.00 2.78 -4.54 -5.58 3.41 -1.25 -4.94 113.62 103.49 2jql n SER 130 Ca 0.00 -0.04 -0.39 0.00 -0.26 0.00 0.00 58.87 58.18 2jql n SER 130 Cb 0.00 -0.22 -0.05 0.00 -0.26 0.00 0.00 64.21 63.68 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 10.94 2.66 0.04 0.00 0.15 -1.26 0.02 113.70 126.26 2jql s SER 132 Ca 1.05 -0.48 -0.03 0.00 0.70 0.00 0.00 55.95 57.19 2jql s SER 132 Cb -0.40 -1.15 -0.02 0.00 -1.71 0.00 0.00 66.02 62.73 2jql s SER 132 CO 0.32 -0.06 0.04 0.72 1.20 0.00 0.00 173.24 175.46 2jql s PHE 133 N 1.50 0.32 -0.05 3.44 -0.12 -0.61 -0.71 117.98 121.74 2jql s PHE 133 Ca 0.05 -0.71 0.03 0.00 -0.05 0.00 0.00 56.93 56.25 2jql s PHE 133 Cb -0.13 -0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.01 2jql s PHE 133 CO -0.11 -0.35 -0.13 -1.17 -0.05 0.00 0.00 175.22 173.41 2jql s LEU 134 N -2.34 2.83 -0.07 -1.99 2.96 0.22 -0.59 118.68 119.70 2jql s LEU 134 Ca -0.02 -0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 53.71 2jql s LEU 134 Cb 0.01 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 2jql s LEU 134 CO -0.06 0.35 0.04 0.12 -1.32 0.00 0.00 176.35 175.48 2jql s PHE 135 N -0.75 3.26 0.07 5.38 2.19 -0.63 -1.52 117.98 125.98 2jql s PHE 135 Ca 0.12 0.25 -0.19 0.00 0.33 0.00 0.00 56.93 57.43 2jql s PHE 135 Cb -0.11 -1.80 0.04 0.00 -1.31 0.00 0.00 43.02 39.85 2jql s PHE 135 CO 0.01 0.54 0.46 0.21 1.83 0.00 0.00 175.22 178.26 2jql s LYS 136 N -1.14 1.00 0.12 10.12 2.20 -1.10 -0.98 119.74 129.97 2jql s LYS 136 Ca 0.16 -0.39 -0.23 0.00 -0.36 0.00 0.00 55.97 55.15 2jql s LYS 136 Cb -0.12 0.45 -0.07 0.00 -1.51 0.00 0.00 37.83 36.58 2jql s LYS 136 CO 0.06 -0.37 0.70 0.71 -0.36 0.00 0.00 175.35 176.09 2jql s TYR 137 N -2.77 3.86 -0.11 4.03 2.02 -1.26 -1.46 117.35 121.65 2jql s TYR 137 Ca -0.03 1.49 0.00 0.00 -0.37 0.00 0.00 57.07 58.16 2jql s TYR 137 Cb -0.00 -2.67 -0.02 0.00 -0.40 0.00 0.00 41.96 38.86 2jql s TYR 137 CO -0.04 0.52 -0.12 0.00 -1.57 0.00 0.00 175.55 174.34 2jql s ALA 138 N -1.05 2.68 0.00 3.71 0.00 0.35 -4.88 121.76 122.57 2jql s ALA 138 Ca 0.33 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.39 2jql s ALA 138 Cb -0.22 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.71 2jql s ALA 138 CO 0.23 0.33 0.00 -1.13 0.00 0.00 0.00 175.76 175.19 2jql n SER 139 N 3.21 0.00 -2.33 0.00 3.41 -1.26 -4.61 113.62 112.04 2jql n SER 139 Ca -0.18 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.10 2jql n SER 139 Cb 0.53 0.05 0.07 0.00 -0.26 0.00 0.00 64.21 64.60 2jql n SER 139 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jql n SER 140 N -2.32 7.58 -1.40 4.04 7.64 -1.26 -4.89 113.62 123.02 2jql n SER 140 Ca 0.00 -3.72 0.19 0.00 1.01 0.00 0.00 58.87 56.34 2jql n SER 140 Cb 0.00 -1.00 -0.06 0.00 -1.01 0.00 0.00 64.21 62.15 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 -0.76 -8.34 -0.10 6.43 7.64 -1.26 -4.81 113.62 112.42 2jql n SER 141 Ca 0.59 0.75 -0.16 0.00 1.01 0.00 0.00 58.87 61.06 2jql n SER 141 Cb 0.62 -4.36 -0.08 0.00 -1.01 0.00 0.00 64.21 59.38 2jql n SER 141 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2jql n SER 142 N -4.19 2.15 -3.49 6.43 3.41 -1.26 -5.02 113.62 111.65 2jql n SER 142 Ca -0.01 0.01 -0.28 0.00 -0.26 0.00 0.00 58.87 58.34 2jql n SER 142 Cb 0.64 -0.41 0.23 0.00 -0.26 0.00 0.00 64.21 64.41 2jql n SER 142 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2jql n THR 143 N -3.35 0.00 -3.53 6.66 -2.24 -1.26 -5.04 114.28 105.51 2jql n THR 143 Ca -0.37 -0.48 -0.28 0.00 -2.27 0.00 0.00 64.05 60.65 2jql n THR 143 Cb 0.84 -1.24 -0.11 0.00 -2.10 0.00 0.00 70.33 67.71 2jql n THR 143 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jql s ASP 144 N -4.32 2.64 0.00 3.42 1.01 -1.26 -5.08 116.67 113.07 2jql s ASP 144 Ca 0.66 -2.88 0.00 0.00 0.71 0.00 0.00 52.55 51.03 2jql s ASP 144 Cb -0.06 -0.70 0.00 0.00 1.01 0.00 0.00 42.92 43.17 2jql s ASP 144 CO 0.50 -0.21 0.00 -0.38 0.21 0.00 0.00 175.17 175.29 2jql n ILE 145 N 3.14 0.00 -4.03 0.77 -0.00 -1.26 -5.16 119.36 112.82 2jql n ILE 145 Ca 0.20 0.00 -0.17 0.00 -0.00 0.00 0.00 62.75 62.79 2jql n ILE 145 Cb 0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 40.04 2jql n ILE 145 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2jql n GLU 146 N 0.00 1.13 -1.35 0.38 -0.58 -1.26 -5.07 120.64 113.89 2jql n GLU 146 Ca 0.00 -2.06 0.18 0.00 -0.42 0.00 0.00 57.16 54.86 2jql n GLU 146 Cb 0.00 0.37 -0.05 0.00 -0.57 0.00 0.00 31.44 31.19 2jql n GLU 146 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2jql n ASN 147 N -1.60 -8.03 -3.63 1.62 2.85 -1.26 -4.80 115.26 100.42 2jql n ASN 147 Ca -0.06 0.64 -0.29 0.00 -0.11 0.00 0.00 54.58 54.76 2jql n ASN 147 Cb 0.37 -4.15 -0.14 0.00 1.24 0.00 0.00 39.78 37.10 2jql n ASN 147 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2jql s ASP 148 N -6.88 3.57 0.26 1.20 1.01 -1.26 -5.12 116.67 109.44 2jql s ASP 148 Ca 0.00 -2.02 0.05 0.00 0.71 0.00 0.00 52.55 51.29 2jql s ASP 148 Cb 0.00 -0.71 -0.05 0.00 1.01 0.00 0.00 42.92 43.16 2jql s ASP 148 CO 0.00 -0.35 -0.03 -1.81 0.21 0.00 0.00 175.17 173.19 2jql s ASP 149 N 1.18 2.30 -0.24 0.27 1.01 -1.26 -5.06 116.67 114.87 2jql s ASP 149 Ca 0.14 -1.20 0.12 0.00 0.71 0.00 0.00 52.55 52.32 2jql s ASP 149 Cb -0.21 -0.08 0.45 0.00 1.01 0.00 0.00 42.92 44.09 2jql s ASP 149 CO -0.12 -0.43 1.19 -0.62 0.21 0.00 0.00 175.17 175.39 2jql n GLU 150 N -0.50 2.48 -3.01 8.23 -0.58 -1.26 -4.77 120.64 121.22 2jql n GLU 150 Ca -0.05 -3.65 0.04 0.00 -0.42 0.00 0.00 57.16 53.07 2jql n GLU 150 Cb 0.64 -1.81 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 2jql n GLU 150 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2jql s LYS 151 N -3.23 0.21 -0.48 3.49 2.36 -1.26 -5.06 119.74 115.77 2jql s LYS 151 Ca 0.43 0.06 -0.17 0.00 -2.55 0.00 0.00 55.97 53.73 2jql s LYS 151 Cb 0.38 0.06 0.06 0.00 -1.05 0.00 0.00 37.83 37.28 2jql s LYS 151 CO -0.02 -0.35 0.51 0.08 1.55 0.00 0.00 175.35 177.12 2jql s VAL 152 N 2.51 5.04 -0.69 4.02 1.01 -1.26 -5.02 120.40 126.02 2jql s VAL 152 Ca 0.21 -0.70 -0.24 0.00 0.00 0.00 0.00 61.98 61.25 2jql s VAL 152 Cb -0.00 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 32.23 2jql s VAL 152 CO -0.19 -0.67 1.07 -0.55 0.00 0.00 0.00 175.10 174.76 2jql s SER 153 N 2.55 6.17 0.21 3.32 0.15 -1.26 -4.97 113.70 119.87 2jql s SER 153 Ca 0.10 -0.81 -0.13 0.00 0.70 0.00 0.00 55.95 55.81 2jql s SER 153 Cb -0.21 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2jql s SER 153 CO 0.10 -1.57 0.45 -0.94 1.20 0.00 0.00 173.24 172.48 2jql s SER 154 N 3.70 -0.11 0.00 5.45 1.04 -1.26 -5.08 113.70 117.44 2jql s SER 154 Ca 0.26 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.92 2jql s SER 154 Cb -0.14 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2jql s SER 154 CO 0.12 -1.06 0.00 -1.84 0.98 0.00 0.00 173.24 171.44 2jql n GLU 155 N -0.33 0.00 -4.48 4.02 0.28 -1.26 -5.14 120.64 113.73 2jql n GLU 155 Ca -0.06 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.71 2jql n GLU 155 Cb 0.62 -0.07 -0.10 0.00 1.43 0.00 0.00 31.44 33.32 2jql n GLU 155 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2jql s SER 156 N -3.01 3.28 -0.29 -1.84 0.01 -1.26 -5.05 113.70 105.53 2jql s SER 156 Ca 0.00 -1.16 0.09 0.00 1.31 0.00 0.00 55.95 56.19 2jql s SER 156 Cb 0.00 -0.26 0.48 0.00 0.21 0.00 0.00 66.02 66.45 2jql s SER 156 CO 0.00 -0.22 1.39 -1.14 0.41 0.00 0.00 173.24 173.69 2jql n ARG 157 N -0.66 2.01 -1.18 12.44 3.00 -1.26 -4.55 116.66 126.45 2jql n ARG 157 Ca -0.05 -3.35 -0.05 0.00 -0.00 0.00 0.00 57.85 54.40 2jql n ARG 157 Cb 0.63 -1.84 -0.03 0.00 0.00 0.00 0.00 32.46 31.22 2jql n ARG 157 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2jql n SER 158 N -1.07 -0.91 0.00 6.15 7.64 -1.26 -5.34 113.62 118.83 2jql n SER 158 Ca 0.32 -1.74 0.00 0.00 1.01 0.00 0.00 58.87 58.46 2jql n SER 158 Cb 0.93 0.31 0.00 0.00 -1.01 0.00 0.00 64.21 64.43 2jql n SER 158 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03