#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 -5.14 -3.86 1.64 0.63 -1.26 -4.96 116.66 103.70 2jql n ARG 20 Ca 0.00 3.75 -0.33 0.00 -0.92 0.00 0.00 57.85 60.35 2jql n ARG 20 Cb 0.00 -4.88 -0.12 0.00 0.45 0.00 0.00 32.46 27.91 2jql n ARG 20 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2jql s GLN 21 N -0.62 2.08 0.05 -0.14 -0.44 -1.26 -4.83 119.66 114.50 2jql s GLN 21 Ca -0.07 -2.35 0.00 0.00 -2.50 0.00 0.00 55.36 50.43 2jql s GLN 21 Cb 0.00 -3.47 0.00 0.00 -1.64 0.00 0.00 33.01 27.90 2jql s GLN 21 CO 0.20 -1.10 0.00 1.04 0.50 0.00 0.00 175.29 175.93 2jql n GLN 22 N 3.64 0.00 -0.05 1.67 1.13 -1.26 -4.96 117.38 117.55 2jql n GLN 22 Ca 0.05 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.97 2jql n GLN 22 Cb 0.37 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.65 2jql n GLN 22 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 2jql h ARG 23 N 0.00 0.34 -3.28 -1.09 2.43 -2.01 -3.49 114.38 107.28 2jql h ARG 23 Ca 0.00 -0.19 0.39 0.00 -0.81 0.00 0.00 59.98 59.38 2jql h ARG 23 Cb 0.00 0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 29.45 2jql h ARG 23 CO 0.00 0.74 -0.61 0.43 -1.51 0.00 0.00 179.97 179.02 2jql n SER 24 N -4.56 -8.68 -3.66 -3.80 7.64 -1.26 -4.99 113.62 94.31 2jql n SER 24 Ca -0.06 0.68 -0.13 0.00 1.01 0.00 0.00 58.87 60.36 2jql n SER 24 Cb 0.37 -4.47 -0.08 0.00 -1.01 0.00 0.00 64.21 59.01 2jql n SER 24 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2jql s ASN 25 N -7.21 -0.66 -0.13 6.43 2.47 -1.26 -5.16 114.94 109.42 2jql s ASN 25 Ca 0.00 1.25 -0.02 0.00 0.42 0.00 0.00 52.86 54.51 2jql s ASN 25 Cb 0.00 1.25 -0.03 0.00 -1.45 0.00 0.00 41.25 41.03 2jql s ASN 25 CO 0.00 -0.22 -0.06 -0.75 -3.72 0.00 0.00 177.10 172.36 2jql s LYS 26 N 0.43 3.43 0.56 0.43 2.47 -1.26 -5.10 119.74 120.70 2jql s LYS 26 Ca -0.01 -0.55 -0.21 0.00 -1.56 0.00 0.00 55.97 53.64 2jql s LYS 26 Cb -0.04 -2.80 -0.05 0.00 -1.46 0.00 0.00 37.83 33.47 2jql s LYS 26 CO -0.01 0.34 1.22 -2.30 0.16 0.00 0.00 175.35 174.75 2jql n PRO 27 N 3.23 1.40 -3.12 4.03 -0.02 -1.26 -4.99 135.00 134.28 2jql n PRO 27 Ca -0.18 0.52 -0.33 0.00 -2.02 0.00 0.00 63.50 61.50 2jql n PRO 27 Cb 0.53 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 2jql n PRO 27 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2jql s SER 28 N -1.02 6.83 -0.42 2.55 0.01 -1.26 -4.98 113.70 115.41 2jql s SER 28 Ca 0.73 1.32 0.04 0.00 1.31 0.00 0.00 55.95 59.35 2jql s SER 28 Cb -0.43 -2.39 0.62 0.00 0.21 0.00 0.00 66.02 64.03 2jql s SER 28 CO 0.49 -0.17 1.86 -1.20 0.41 0.00 0.00 173.24 174.62 2jql n SER 29 N -0.20 3.79 -3.91 2.44 7.64 -1.26 -4.86 113.62 117.26 2jql n SER 29 Ca 0.03 -3.50 -0.27 0.00 1.01 0.00 0.00 58.87 56.13 2jql n SER 29 Cb 0.53 -0.82 -0.17 0.00 -1.01 0.00 0.00 64.21 62.74 2jql n SER 29 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2jql s GLU 30 N -3.08 1.58 0.00 1.43 4.04 -1.26 -5.10 118.70 116.31 2jql s GLU 30 Ca 0.53 -0.29 0.00 0.00 0.04 0.00 0.00 54.97 55.26 2jql s GLU 30 Cb 0.45 -1.64 0.00 0.00 0.02 0.00 0.00 34.13 32.96 2jql s GLU 30 CO 0.10 -0.27 0.00 0.66 -1.84 0.00 0.00 175.26 173.91 2jql n TYR 31 N 4.93 0.00 -3.77 4.83 4.02 -1.26 -4.98 117.16 120.93 2jql n TYR 31 Ca -0.13 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.62 2jql n TYR 31 Cb 0.50 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.66 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 0.00 -0.06 0.51 -0.72 -4.23 -1.26 -5.02 115.64 104.87 2jql s THR 32 Ca 0.00 0.21 -0.23 0.00 -1.18 0.00 0.00 61.69 60.49 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 0.09 1.39 0.00 -0.54 0.00 0.00 174.62 175.56 2jql n LEU 34 N -0.72 0.00 0.00 0.00 -0.00 -1.09 -4.88 117.00 110.30 2jql n LEU 34 Ca 0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 56.01 2jql n LEU 34 Cb 0.43 0.15 -0.01 0.00 -0.00 0.00 0.00 43.42 43.99 2jql n LEU 34 CO 0.56 -0.31 0.13 0.61 -0.00 0.00 0.00 177.39 178.38 2jql n GLY 35 N -0.01 2.39 3.26 -3.96 0.00 -1.16 -0.98 105.19 104.73 2jql n GLY 35 Ca 0.00 -1.48 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 2jql n GLY 35 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jql s HIS 36 N -3.91 0.27 -0.10 1.61 3.76 -1.03 -0.56 115.29 115.32 2jql s HIS 36 Ca 0.16 -0.67 0.01 0.00 -0.15 0.00 0.00 55.06 54.42 2jql s HIS 36 Cb -0.01 -0.06 0.02 0.00 1.11 0.00 0.00 32.58 33.63 2jql s HIS 36 CO 0.12 -0.62 -0.13 -0.51 -0.85 0.00 0.00 174.74 172.75 2jql s LEU 37 N -2.91 1.58 -0.26 0.89 1.02 0.69 -2.83 118.68 116.87 2jql s LEU 37 Ca 0.11 -0.38 -0.10 0.00 0.02 0.00 0.00 54.13 53.78 2jql s LEU 37 Cb 0.04 -0.99 -0.04 0.00 0.02 0.00 0.00 46.19 45.22 2jql s LEU 37 CO -0.06 -0.02 0.15 -0.69 0.02 0.00 0.00 176.35 175.75 2jql s VAL 38 N 1.13 5.07 -0.37 -1.59 1.01 -0.37 -0.28 120.40 125.01 2jql s VAL 38 Ca -0.05 0.09 -0.22 0.00 0.00 0.00 0.00 61.98 61.80 2jql s VAL 38 Cb -0.14 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.86 2jql s VAL 38 CO -0.03 0.31 0.70 0.20 0.00 0.00 0.00 175.10 176.28 2jql s ASN 39 N 1.46 6.47 -0.53 3.32 0.01 0.16 0.09 114.94 125.91 2jql s ASN 39 Ca 0.07 0.18 -0.28 0.00 -0.71 0.00 0.00 52.86 52.11 2jql s ASN 39 Cb -0.15 -2.36 0.02 0.00 0.41 0.00 0.00 41.25 39.17 2jql s ASN 39 CO 0.07 -0.68 1.31 -0.76 -1.51 0.00 0.00 177.10 175.53 2jql s LEU 40 N 2.90 3.47 -0.02 0.60 1.43 0.35 -2.12 118.68 125.30 2jql s LEU 40 Ca 0.27 0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.77 2jql s LEU 40 Cb -0.14 -3.23 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 2jql s LEU 40 CO 0.16 -1.54 -0.20 -0.63 0.23 0.00 0.00 176.35 174.37 2jql s ILE 41 N 5.42 1.63 0.59 -0.59 1.01 -0.06 -4.64 121.20 124.56 2jql s ILE 41 Ca 0.50 -0.87 0.29 0.00 0.00 0.00 0.00 60.65 60.57 2jql s ILE 41 Cb -0.10 -1.36 0.38 0.00 0.01 0.00 0.00 42.46 41.39 2jql s ILE 41 CO 0.27 0.46 1.91 -0.65 0.00 0.00 0.00 174.94 176.93 2jql h PRO 42 N 5.75 0.00 0.00 2.79 0.11 -2.01 0.24 132.00 138.88 2jql h PRO 42 Ca -0.38 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.47 2jql h PRO 42 Cb 1.15 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 2jql h PRO 42 CO 0.48 0.00 -1.55 0.78 -0.21 0.00 0.00 178.00 177.49 2jql h GLY 43 N 0.00 0.00 0.00 -0.55 0.00 -1.99 -3.50 103.07 97.03 2jql h GLY 43 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2jql h GLY 43 CO -0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 2jql n LYS 44 N -3.09 -0.89 -4.81 4.80 4.81 0.07 -5.15 118.16 113.90 2jql n LYS 44 Ca -0.13 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.03 2jql n LYS 44 Cb 1.02 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 35.90 2jql n LYS 44 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2jql s GLU 45 N -0.28 2.20 -0.21 1.64 2.02 -1.26 -0.88 118.70 121.94 2jql s GLU 45 Ca 0.00 -0.59 -0.09 0.00 0.02 0.00 0.00 54.97 54.32 2jql s GLU 45 Cb 0.00 -1.74 -0.04 0.00 0.10 0.00 0.00 34.13 32.44 2jql s GLU 45 CO 0.00 0.08 0.10 -1.14 0.02 0.00 0.00 175.26 174.32 2jql s GLN 46 N 0.56 4.01 -0.19 1.61 0.74 -0.90 -4.87 119.66 120.60 2jql s GLN 46 Ca -0.16 -0.32 -0.09 0.00 0.05 0.00 0.00 55.36 54.84 2jql s GLN 46 Cb -0.17 -3.35 -0.05 0.00 1.10 0.00 0.00 33.01 30.55 2jql s GLN 46 CO 0.05 0.18 0.12 0.21 -0.55 0.00 0.00 175.29 175.30 2jql s LYS 47 N 0.67 4.13 0.11 1.67 2.20 -1.26 0.36 119.74 127.62 2jql s LYS 47 Ca 0.05 -0.24 0.10 0.00 -0.36 0.00 0.00 55.97 55.52 2jql s LYS 47 Cb -0.13 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 2jql s LYS 47 CO 0.01 0.31 -0.24 0.08 -0.36 0.00 0.00 175.35 175.15 2jql s VAL 48 N 0.32 1.99 -0.15 4.02 1.01 0.62 -4.94 120.40 123.28 2jql s VAL 48 Ca 0.07 -1.62 -0.07 0.00 0.00 0.00 0.00 61.98 60.36 2jql s VAL 48 Cb -0.11 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2jql s VAL 48 CO -0.02 0.04 0.10 -0.70 0.00 0.00 0.00 175.10 174.52 2jql s GLU 49 N -1.92 3.66 -0.10 2.72 2.12 -1.26 -0.22 118.70 123.69 2jql s GLU 49 Ca 0.10 -0.24 0.02 0.00 0.36 0.00 0.00 54.97 55.21 2jql s GLU 49 Cb -0.10 -3.18 -0.01 0.00 0.26 0.00 0.00 34.13 31.09 2jql s GLU 49 CO 0.05 0.55 -0.17 -1.50 -0.54 0.00 0.00 175.26 173.64 2jql s ILE 50 N -0.38 2.71 0.38 -3.70 2.07 0.27 -4.93 121.20 117.62 2jql s ILE 50 Ca 0.10 -0.80 0.07 0.00 -1.41 0.00 0.00 60.65 58.62 2jql s ILE 50 Cb -0.12 -2.09 -0.00 0.00 0.13 0.00 0.00 42.46 40.38 2jql s ILE 50 CO 0.02 0.55 0.48 0.42 -1.91 0.00 0.00 174.94 174.50 2jql s THR 51 N 0.13 3.33 -1.23 4.00 -4.23 -1.26 -2.68 115.64 113.69 2jql s THR 51 Ca -0.09 -1.09 -0.07 0.00 -1.18 0.00 0.00 61.69 59.27 2jql s THR 51 Cb -0.15 -3.14 0.19 0.00 1.34 0.00 0.00 72.50 70.74 2jql s THR 51 CO 0.05 -0.07 1.93 -0.46 -0.54 0.00 0.00 174.62 175.54 2jql n ASN 52 N -1.69 6.25 -0.34 3.99 0.23 -1.15 -4.70 115.26 117.85 2jql n ASN 52 Ca 0.04 -3.22 0.06 0.00 -0.53 0.00 0.00 54.58 50.93 2jql n ASN 52 Cb 0.59 -1.39 0.24 0.00 -2.08 0.00 0.00 39.78 37.15 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 2.54 1.44 0.00 -3.83 0.63 -1.26 -4.88 116.66 111.29 2jql n ARG 53 Ca 0.43 -0.67 0.00 0.00 -0.92 0.00 0.00 57.85 56.69 2jql n ARG 53 Cb 0.32 -1.24 0.00 0.00 0.45 0.00 0.00 32.46 31.99 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 -0.02 0.00 -3.88 6.15 4.13 -0.82 -4.76 115.26 116.06 2jql n ASN 54 Ca 0.10 0.00 -0.16 0.00 1.68 0.00 0.00 54.58 56.20 2jql n ASN 54 Cb 0.19 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.28 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 0.25 -0.07 2.41 1.01 -1.26 -1.56 120.40 121.18 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 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.12 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 0.43 1.51 -0.12 3.92 2.01 0.51 -4.88 115.64 119.02 2jql s THR 56 Ca -0.04 -0.71 -0.05 0.00 0.31 0.00 0.00 61.69 61.19 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 0.40 4.82 -0.18 -0.82 -4.23 -1.26 0.11 115.64 114.48 2jql s THR 57 Ca -0.13 -0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.34 2jql s THR 57 Cb -0.15 -3.09 0.02 0.00 1.34 0.00 0.00 72.50 70.62 2jql s THR 57 CO 0.05 0.57 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.90 2jql s ILE 58 N -0.60 1.90 -0.15 2.99 1.01 -0.40 0.14 121.20 126.09 2jql s ILE 58 Ca 0.11 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.86 2jql s ILE 58 Cb -0.12 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.59 2jql s ILE 58 CO 0.02 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.03 2jql n GLY 59 N 4.66 -0.81 0.01 6.18 0.00 -0.84 -2.90 105.19 111.48 2jql n GLY 59 Ca -0.19 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 45.70 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 0.55 -1.31 1.61 0.63 -1.24 -1.81 116.66 115.09 2jql n ARG 60 Ca 0.00 -0.06 -0.37 0.00 -0.92 0.00 0.00 57.85 56.50 2jql n ARG 60 Cb 0.00 -1.18 0.05 0.00 0.45 0.00 0.00 32.46 31.78 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 -1.82 -1.94 -0.05 6.15 2.88 -1.26 -4.90 113.62 112.67 2jql n SER 61 Ca -0.03 0.62 -0.16 0.00 -1.33 0.00 0.00 58.87 57.98 2jql n SER 61 Cb 0.26 -1.10 -0.06 0.00 -0.75 0.00 0.00 64.21 62.56 2jql n SER 61 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2jql h ARG 62 N -0.14 0.82 0.00 -1.46 3.08 -1.97 -3.06 114.38 111.65 2jql h ARG 62 Ca -0.45 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.01 2jql h ARG 62 Cb 1.38 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.53 2jql h ARG 62 CO 0.43 1.21 0.00 1.03 -1.07 0.00 0.00 179.97 181.57 2jql h SER 63 N 0.58 0.00 -3.68 7.04 0.87 -2.00 -3.45 113.55 112.89 2jql h SER 63 Ca -0.02 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.01 2jql h SER 63 Cb 1.26 0.00 0.21 0.00 -0.44 0.00 0.00 62.40 63.43 2jql h SER 63 CO 0.14 0.00 -0.32 0.00 -0.53 0.00 0.00 176.83 176.12 2jql h ASP 65 N -1.68 0.00 -3.44 0.00 5.19 0.87 -3.44 116.42 113.92 2jql h ASP 65 Ca -0.43 0.00 -0.71 0.00 -0.62 0.00 0.00 57.03 55.27 2jql h ASP 65 Cb 1.28 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.59 2jql h ASP 65 CO 0.36 0.20 -0.24 -0.69 -3.12 0.00 0.00 179.24 175.76 2jql s VAL 66 N -1.23 5.12 -0.53 -1.35 1.01 0.11 -4.94 120.40 118.59 2jql s VAL 66 Ca -0.00 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 2jql s VAL 66 Cb 0.00 -4.07 0.06 0.00 0.00 0.00 0.00 36.38 32.36 2jql s VAL 66 CO 0.01 -0.49 0.73 0.27 0.00 0.00 0.00 175.10 175.62 2jql s ILE 67 N 2.03 4.72 0.81 2.22 -4.36 -1.26 -1.98 121.20 123.38 2jql s ILE 67 Ca 0.10 -0.32 -0.14 0.00 -0.26 0.00 0.00 60.65 60.03 2jql s ILE 67 Cb -0.19 -4.39 0.20 0.00 1.25 0.00 0.00 42.46 39.32 2jql s ILE 67 CO 0.11 -0.94 0.80 0.18 0.24 0.00 0.00 174.94 175.33 2jql n LEU 68 N 6.59 0.00 -1.77 0.37 4.32 -0.75 -5.00 117.00 120.76 2jql n LEU 68 Ca -0.04 -0.86 -0.13 0.00 -0.02 0.00 0.00 56.01 54.96 2jql n LEU 68 Cb 0.46 -0.70 0.07 0.00 -1.62 0.00 0.00 43.42 41.63 2jql n LEU 68 CO 0.57 -1.65 0.19 -0.24 -1.22 0.00 0.00 177.39 175.05 2jql n SER 69 N -4.12 3.59 -4.65 -1.43 2.88 -1.26 -4.89 113.62 103.74 2jql n SER 69 Ca 0.11 -3.49 -0.37 0.00 -1.33 0.00 0.00 58.87 53.79 2jql n SER 69 Cb 0.41 -0.40 -0.10 0.00 -0.75 0.00 0.00 64.21 63.37 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 -3.37 4.05 0.58 -1.46 0.41 -1.26 -4.96 118.70 112.68 2jql s GLU 70 Ca 0.44 -0.27 0.31 0.00 -0.41 0.00 0.00 54.97 55.04 2jql s GLU 70 Cb 0.39 -3.56 1.69 0.00 -1.78 0.00 0.00 34.13 30.87 2jql s GLU 70 CO -0.01 0.02 1.94 -1.35 -0.49 0.00 0.00 175.26 175.38 2jql h PRO 71 N 7.65 0.00 -0.21 0.39 0.11 -2.04 -1.22 132.00 136.68 2jql h PRO 71 Ca -0.38 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.55 2jql h PRO 71 Cb 1.17 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.04 2jql h PRO 71 CO 0.64 0.00 -0.78 -0.25 -0.21 0.00 0.00 178.00 177.39 2jql n ASP 72 N -2.75 2.16 -4.69 -2.05 9.92 -1.26 -5.06 116.55 112.82 2jql n ASP 72 Ca -0.02 -3.14 -0.42 0.00 -0.53 0.00 0.00 54.79 50.68 2jql n ASP 72 Cb 0.23 -0.43 -0.03 0.00 -0.64 0.00 0.00 41.12 40.26 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 -2.75 4.34 0.21 0.53 1.10 -0.46 -4.97 121.20 119.20 2jql s ILE 73 Ca 0.38 1.65 -0.32 0.00 -0.51 0.00 0.00 60.65 61.85 2jql s ILE 73 Cb 0.38 -4.06 -0.13 0.00 0.15 0.00 0.00 42.46 38.80 2jql s ILE 73 CO -0.07 0.00 1.58 -0.24 -2.11 0.00 0.00 174.94 174.10 2jql n SER 74 N 5.16 3.37 -0.17 4.50 2.88 -1.26 -4.29 113.62 123.81 2jql n SER 74 Ca 0.11 1.10 -0.08 0.00 -1.33 0.00 0.00 58.87 58.67 2jql n SER 74 Cb 0.47 -1.49 0.01 0.00 -0.75 0.00 0.00 64.21 62.44 2jql n SER 74 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2jql h THR 75 N 3.48 1.21 -0.55 2.46 2.02 -1.92 -2.77 112.91 116.83 2jql h THR 75 Ca -0.45 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.10 2jql h THR 75 Cb 1.24 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 2jql h THR 75 CO 0.86 0.24 0.00 0.49 0.37 0.00 0.00 175.52 177.48 2jql n PHE 76 N -4.58 1.14 0.00 3.16 3.01 -1.26 -4.14 117.46 114.80 2jql n PHE 76 Ca 0.02 -0.61 0.00 0.00 1.01 0.00 0.00 57.45 57.87 2jql n PHE 76 Cb 0.15 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 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 0.86 0.00 -3.64 1.38 -0.00 -1.05 -4.57 115.22 108.20 2jql n HIS 77 Ca 0.22 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.30 2jql n HIS 77 Cb 0.76 -0.06 -0.05 0.00 -0.12 0.00 0.00 29.99 30.52 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 -2.66 -0.91 -0.05 1.57 0.00 -1.17 -3.89 121.76 114.65 2jql s ALA 78 Ca 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 51.96 51.92 2jql s ALA 78 Cb 0.00 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.82 2jql s ALA 78 CO 0.00 -0.65 -0.17 -1.21 0.00 0.00 0.00 175.76 173.73 2jql s GLU 79 N -3.81 1.94 -0.09 0.00 2.02 -0.53 -1.28 118.70 116.95 2jql s GLU 79 Ca 0.03 -0.61 0.04 0.00 0.02 0.00 0.00 54.97 54.45 2jql s GLU 79 Cb 0.02 -1.63 -0.00 0.00 0.10 0.00 0.00 34.13 32.61 2jql s GLU 79 CO -0.12 0.20 -0.23 -0.06 0.02 0.00 0.00 175.26 175.07 2jql s PHE 80 N 0.19 2.56 -0.33 1.61 0.40 0.12 -0.65 117.98 121.88 2jql s PHE 80 Ca -0.08 -0.95 -0.17 0.00 -0.60 0.00 0.00 56.93 55.14 2jql s PHE 80 Cb -0.13 -1.70 -0.01 0.00 0.51 0.00 0.00 43.02 41.68 2jql s PHE 80 CO 0.03 -0.36 0.44 -1.01 0.70 0.00 0.00 175.22 175.03 2jql s HIS 81 N 0.24 3.21 -0.36 0.36 3.76 -0.48 0.19 115.29 122.20 2jql s HIS 81 Ca -0.15 0.19 -0.09 0.00 -0.15 0.00 0.00 55.06 54.86 2jql s HIS 81 Cb -0.17 -2.77 0.04 0.00 1.11 0.00 0.00 32.58 30.78 2jql s HIS 81 CO 0.08 -0.43 0.17 -1.17 -0.85 0.00 0.00 174.74 172.53 2jql s LEU 82 N 2.22 4.59 -0.02 0.89 2.96 -0.60 -2.13 118.68 126.59 2jql s LEU 82 Ca 0.16 -1.09 0.07 0.00 -0.22 0.00 0.00 54.13 53.05 2jql s LEU 82 Cb -0.16 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 2jql s LEU 82 CO 0.12 -0.37 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.78 2jql s LEU 83 N 1.48 2.05 -0.23 -0.68 1.02 -1.17 -1.95 118.68 119.20 2jql s LEU 83 Ca 0.00 -0.42 -0.06 0.00 0.02 0.00 0.00 54.13 53.68 2jql s LEU 83 Cb -0.20 -1.20 -0.02 0.00 0.02 0.00 0.00 46.19 44.79 2jql s LEU 83 CO 0.05 0.29 0.02 -1.58 0.02 0.00 0.00 176.35 175.14 2jql s GLN 84 N -0.55 3.55 -0.08 1.70 0.74 -1.26 -2.87 119.66 120.89 2jql s GLN 84 Ca 0.09 -0.54 0.02 0.00 0.05 0.00 0.00 55.36 54.98 2jql s GLN 84 Cb -0.09 -3.17 0.02 0.00 1.10 0.00 0.00 33.01 30.87 2jql s GLN 84 CO -0.01 -0.15 -0.11 1.41 -0.55 0.00 0.00 175.29 175.88 2jql s MET 85 N 1.44 1.72 -0.22 1.67 1.75 0.14 -5.02 119.30 120.78 2jql s MET 85 Ca 0.05 -0.39 -0.06 0.00 -1.25 0.00 0.00 55.69 54.04 2jql s MET 85 Cb -0.15 -1.50 -0.03 0.00 2.84 0.00 0.00 34.83 36.00 2jql s MET 85 CO 0.01 -0.05 0.04 0.16 -0.65 0.00 0.00 175.02 174.53 2jql s ASP 86 N 0.93 5.04 -0.05 1.11 1.47 -1.26 0.67 116.67 124.58 2jql s ASP 86 Ca -0.09 -0.17 0.06 0.00 1.18 0.00 0.00 52.55 53.52 2jql s ASP 86 Cb -0.15 -1.88 -0.01 0.00 -0.34 0.00 0.00 42.92 40.54 2jql s ASP 86 CO 0.00 0.04 -0.23 -0.69 0.68 0.00 0.00 175.17 174.97 2jql s VAL 87 N 1.18 1.89 0.00 2.11 1.01 -1.21 -4.84 120.40 120.53 2jql s VAL 87 Ca 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.04 2jql s VAL 87 Cb -0.14 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.63 2jql s VAL 87 CO 0.02 0.53 0.00 0.47 0.00 0.00 0.00 175.10 176.12 2jql n ASP 88 N 2.96 0.00 0.00 3.32 8.00 -1.26 -2.98 116.55 126.59 2jql n ASP 88 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 2jql n ASP 88 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2jql n ASP 88 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2jql n ASN 89 N 2.02 0.00 -2.91 -2.24 0.23 -1.26 -5.15 115.26 105.95 2jql n ASN 89 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 53.96 2jql n ASN 89 Cb 0.00 0.03 0.08 0.00 -2.08 0.00 0.00 39.78 37.81 2jql n ASN 89 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 2jql n PHE 90 N -1.13 -2.96 -4.84 -2.53 3.72 -1.16 -5.04 117.46 103.51 2jql n PHE 90 Ca 0.00 -0.27 -0.30 0.00 -0.05 0.00 0.00 57.45 56.83 2jql n PHE 90 Cb 0.00 -0.35 -0.17 0.00 -0.94 0.00 0.00 39.48 38.03 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 -3.68 2.69 -0.22 -1.08 -2.07 -1.26 -3.36 119.66 110.68 2jql s GLN 91 Ca 0.20 -0.74 -0.00 0.00 -1.82 0.00 0.00 55.36 52.99 2jql s GLN 91 Cb -0.03 -2.12 0.02 0.00 -1.09 0.00 0.00 33.01 29.79 2jql s GLN 91 CO 0.16 0.06 -0.12 1.03 -1.32 0.00 0.00 175.29 175.10 2jql s ARG 92 N 0.63 2.93 -0.12 9.60 0.52 0.21 -4.98 118.95 127.74 2jql s ARG 92 Ca -0.13 -0.90 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 2jql s ARG 92 Cb -0.16 -2.81 -0.02 0.00 0.52 0.00 0.00 34.95 32.47 2jql s ARG 92 CO 0.03 -0.31 -0.13 -0.80 0.02 0.00 0.00 175.30 174.12 2jql s ASN 93 N 1.31 4.06 -0.04 0.23 0.01 -1.26 -0.68 114.94 118.56 2jql s ASN 93 Ca 0.02 -0.30 0.06 0.00 -0.71 0.00 0.00 52.86 51.92 2jql s ASN 93 Cb -0.15 -1.55 -0.01 0.00 0.41 0.00 0.00 41.25 39.95 2jql s ASN 93 CO -0.08 0.18 -0.21 -0.76 -1.51 0.00 0.00 177.10 174.72 2jql s LEU 94 N 0.24 2.00 -0.07 0.60 1.43 -1.14 -4.97 118.68 116.78 2jql s LEU 94 Ca -0.08 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 52.64 2jql s LEU 94 Cb -0.15 -1.17 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 2jql s LEU 94 CO 0.05 0.22 -0.22 -0.63 0.23 0.00 0.00 176.35 175.99 2jql s ILE 95 N -0.16 2.28 -0.04 -0.59 1.09 -1.14 -3.07 121.20 119.57 2jql s ILE 95 Ca -0.01 -0.98 0.04 0.00 -1.10 0.00 0.00 60.65 58.60 2jql s ILE 95 Cb -0.12 -1.85 -0.03 0.00 -1.06 0.00 0.00 42.46 39.40 2jql s ILE 95 CO 0.02 0.57 -0.14 0.21 -0.10 0.00 0.00 174.94 175.50 2jql s ASN 96 N -0.14 4.04 -0.13 3.58 2.47 -0.91 0.11 114.94 123.96 2jql s ASN 96 Ca -0.04 -0.21 -0.05 0.00 0.42 0.00 0.00 52.86 52.98 2jql s ASN 96 Cb -0.14 -0.84 -0.04 0.00 -1.45 0.00 0.00 41.25 38.79 2jql s ASN 96 CO 0.04 0.34 0.04 -0.69 -3.72 0.00 0.00 177.10 173.10 2jql s VAL 97 N -0.76 4.58 -0.11 -5.21 1.01 0.77 -1.39 120.40 119.29 2jql s VAL 97 Ca 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 2jql s VAL 97 Cb -0.11 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.30 2jql s VAL 97 CO 0.01 0.54 -0.09 -0.63 0.00 0.00 0.00 175.10 174.94 2jql s ILE 98 N -0.27 1.08 -0.15 2.22 -1.09 0.17 -2.57 121.20 120.59 2jql s ILE 98 Ca 0.07 -0.34 -0.03 0.00 -2.23 0.00 0.00 60.65 58.13 2jql s ILE 98 Cb -0.12 -1.08 -0.02 0.00 -1.58 0.00 0.00 42.46 39.66 2jql s ILE 98 CO 0.02 0.37 -0.07 -0.62 -1.23 0.00 0.00 174.94 173.41 2jql s ASP 99 N 1.58 4.48 -0.17 3.58 2.15 -1.26 -1.45 116.67 125.58 2jql s ASP 99 Ca 0.03 -0.23 0.11 0.00 0.43 0.00 0.00 52.55 52.89 2jql s ASP 99 Cb -0.13 -1.72 0.27 0.00 -0.30 0.00 0.00 42.92 41.04 2jql s ASP 99 CO -0.07 0.15 1.25 2.29 -0.17 0.00 0.00 175.17 178.62 2jql n LYS 100 N 3.68 0.75 -4.02 4.34 2.85 -1.26 -5.06 118.16 119.44 2jql n LYS 100 Ca -0.18 -1.49 -0.26 0.00 -1.05 0.00 0.00 58.31 55.33 2jql n LYS 100 Cb 0.52 0.17 -0.04 0.00 -0.65 0.00 0.00 35.03 35.03 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 -0.64 2.97 -3.69 -5.58 7.64 -1.25 -4.98 113.62 108.09 2jql n SER 101 Ca -0.16 -2.80 -0.28 0.00 1.01 0.00 0.00 58.87 56.64 2jql n SER 101 Cb 0.83 0.19 -0.11 0.00 -1.01 0.00 0.00 64.21 64.12 2jql n SER 101 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2jql n ARG 102 N -1.24 1.21 0.20 1.43 0.00 -1.26 -4.84 116.66 112.15 2jql n ARG 102 Ca -0.13 -3.98 0.00 0.00 -0.00 0.00 0.00 57.85 53.74 2jql n ARG 102 Cb 0.54 -2.04 0.00 0.00 -0.00 0.00 0.00 32.46 30.96 2jql n ARG 102 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2jql n ASN 103 N 2.27 -2.85 0.00 2.89 4.13 -1.26 -5.08 115.26 115.36 2jql n ASN 103 Ca 0.24 0.74 0.00 0.00 1.68 0.00 0.00 54.58 57.24 2jql n ASN 103 Cb 0.40 2.73 0.00 0.00 -1.54 0.00 0.00 39.78 41.37 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 -0.57 2.65 3.31 7.41 0.00 -1.26 -4.97 105.19 111.76 2jql n GLY 104 Ca 0.00 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 2jql n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jql s THR 105 N 0.00 2.88 -0.21 2.61 2.01 -1.26 -1.97 115.64 119.69 2jql s THR 105 Ca 0.00 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.31 2jql s THR 105 Cb 0.00 -2.22 0.04 0.00 0.01 0.00 0.00 72.50 70.33 2jql s THR 105 CO 0.00 0.51 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.94 2jql s PHE 106 N 0.64 2.87 -0.06 4.92 0.08 -0.19 -4.06 117.98 122.19 2jql s PHE 106 Ca -0.07 -1.88 0.04 0.00 0.12 0.00 0.00 56.93 55.13 2jql s PHE 106 Cb -0.16 -1.86 -0.02 0.00 -0.57 0.00 0.00 43.02 40.42 2jql s PHE 106 CO 0.03 -0.82 -0.18 -1.50 -0.10 0.00 0.00 175.22 172.65 2jql s ILE 107 N 1.25 2.74 -1.78 0.64 1.10 -0.78 0.23 121.20 124.60 2jql s ILE 107 Ca -0.02 -0.83 0.00 0.00 -0.51 0.00 0.00 60.65 59.30 2jql s ILE 107 Cb -0.16 -2.06 0.00 0.00 0.15 0.00 0.00 42.46 40.39 2jql s ILE 107 CO -0.09 0.57 0.00 0.59 -2.11 0.00 0.00 174.94 173.90 2jql n ASN 108 N 2.67 -5.50 -0.12 4.50 5.03 0.02 -1.27 115.26 120.59 2jql n ASN 108 Ca -0.17 0.13 -0.02 0.00 0.87 0.00 0.00 54.58 55.39 2jql n ASN 108 Cb 0.52 -4.59 -0.01 0.00 -1.02 0.00 0.00 39.78 34.69 2jql n ASN 108 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jql n GLY 109 N -0.89 0.43 3.12 7.41 0.00 -1.26 -4.99 105.19 109.01 2jql n GLY 109 Ca -0.22 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.17 1.20 0.23 1.61 0.01 -0.40 -5.13 114.94 110.29 2jql s ASN 110 Ca 0.00 -0.66 -0.30 0.00 -0.71 0.00 0.00 52.86 51.19 2jql s ASN 110 Cb 0.00 0.01 -0.09 0.00 0.41 0.00 0.00 41.25 41.59 2jql s ASN 110 CO 0.00 -0.21 1.20 -0.60 -1.51 0.00 0.00 177.10 175.99 2jql s ARG 111 N -2.06 4.50 0.04 -0.60 3.52 -1.26 -1.87 118.95 121.21 2jql s ARG 111 Ca -0.03 1.93 -0.30 0.00 -0.13 0.00 0.00 55.73 57.19 2jql s ARG 111 Cb -0.07 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 2jql s ARG 111 CO 0.00 -0.05 1.04 -1.17 -0.81 0.00 0.00 175.30 174.32 2jql s LEU 112 N -0.70 4.39 0.00 -0.88 0.20 -1.26 -4.91 118.68 115.51 2jql s LEU 112 Ca 0.51 1.79 0.00 0.00 0.69 0.00 0.00 54.13 57.12 2jql s LEU 112 Cb -0.34 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 41.85 2jql s LEU 112 CO 0.40 -0.30 0.00 0.55 -0.29 0.00 0.00 176.35 176.71 2jql n VAL 113 N 3.73 0.00 -3.50 1.68 3.14 -1.26 -5.05 118.33 117.07 2jql n VAL 113 Ca 0.06 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 61.09 2jql n VAL 113 Cb 0.49 -0.95 -0.06 0.00 -1.06 0.00 0.00 33.84 32.27 2jql n VAL 113 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2jql s LYS 114 N -1.97 3.86 0.77 1.45 2.20 -1.26 -5.09 119.74 119.70 2jql s LYS 114 Ca 0.00 0.32 -0.12 0.00 -0.36 0.00 0.00 55.97 55.81 2jql s LYS 114 Cb 0.00 -3.05 0.05 0.00 -1.51 0.00 0.00 37.83 33.33 2jql s LYS 114 CO 0.00 0.58 1.14 0.15 -0.36 0.00 0.00 175.35 176.86 2jql s LYS 115 N -1.69 2.34 -0.88 4.03 3.01 -1.26 -4.50 119.74 120.80 2jql s LYS 115 Ca 0.31 0.28 -0.03 0.00 -1.01 0.00 0.00 55.97 55.52 2jql s LYS 115 Cb -0.15 -1.98 -0.04 0.00 -1.01 0.00 0.00 37.83 34.65 2jql s LYS 115 CO 0.17 -1.36 0.79 -3.47 0.51 0.00 0.00 175.35 171.99 2jql n ASP 116 N -3.19 -6.99 -4.77 2.83 2.03 -1.26 -4.98 116.55 100.22 2jql n ASP 116 Ca 0.07 -0.41 -0.40 0.00 0.52 0.00 0.00 54.79 54.58 2jql n ASP 116 Cb 0.59 -5.11 -0.06 0.00 -0.72 0.00 0.00 41.12 35.83 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 -3.21 3.88 -0.27 -0.67 5.04 -1.06 -4.91 117.35 116.14 2jql s TYR 117 Ca 0.25 1.62 -0.12 0.00 -2.44 0.00 0.00 57.07 56.38 2jql s TYR 117 Cb -0.03 -2.79 -0.05 0.00 0.35 0.00 0.00 41.96 39.44 2jql s TYR 117 CO 0.72 0.46 0.24 -1.50 -1.34 0.00 0.00 175.55 174.13 2jql s ILE 118 N -0.91 5.28 -0.16 3.14 1.10 -1.26 -0.17 121.20 128.22 2jql s ILE 118 Ca 0.37 0.29 -0.07 0.00 -0.51 0.00 0.00 60.65 60.73 2jql s ILE 118 Cb -0.23 -3.58 -0.04 0.00 0.15 0.00 0.00 42.46 38.76 2jql s ILE 118 CO 0.26 0.24 0.07 -0.22 -2.11 0.00 0.00 174.94 173.18 2jql s LEU 119 N 1.75 3.93 0.41 8.50 0.20 0.31 -4.95 118.68 128.82 2jql s LEU 119 Ca 0.10 0.17 0.04 0.00 0.69 0.00 0.00 54.13 55.13 2jql s LEU 119 Cb -0.16 -1.98 -0.02 0.00 -0.43 0.00 0.00 46.19 43.60 2jql s LEU 119 CO 0.10 0.24 0.13 -0.54 -0.29 0.00 0.00 176.35 175.99 2jql s LYS 120 N -0.03 1.94 0.50 1.98 1.02 -1.26 -2.90 119.74 120.98 2jql s LYS 120 Ca 0.07 -2.18 -0.21 0.00 0.02 0.00 0.00 55.97 53.66 2jql s LYS 120 Cb -0.12 -0.60 -0.09 0.00 -0.52 0.00 0.00 37.83 36.50 2jql s LYS 120 CO 0.01 -0.49 0.88 0.27 -0.92 0.00 0.00 175.35 175.10 2jql n ASN 121 N -1.33 0.57 -2.88 2.83 0.23 -1.26 -2.92 115.26 110.50 2jql n ASN 121 Ca -0.06 0.91 -0.16 0.00 -0.53 0.00 0.00 54.58 54.74 2jql n ASN 121 Cb 0.65 -1.31 0.07 0.00 -2.08 0.00 0.00 39.78 37.10 2jql n ASN 121 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jql n GLY 122 N 1.36 -0.19 3.15 4.83 0.00 -0.99 -5.01 105.19 108.35 2jql n GLY 122 Ca 0.11 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.63 3.56 -0.20 1.61 1.11 -1.15 -4.98 116.67 113.00 2jql s ASP 123 Ca 0.24 -0.70 -0.20 0.00 0.18 0.00 0.00 52.55 52.07 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 0.56 -0.03 0.59 -0.13 1.18 0.00 0.00 175.17 177.34 2jql s ARG 124 N 1.31 4.21 -0.11 8.23 0.52 -1.26 -0.91 118.95 130.93 2jql s ARG 124 Ca 0.03 0.54 0.01 0.00 -0.52 0.00 0.00 55.73 55.80 2jql s ARG 124 Cb -0.14 -3.57 -0.01 0.00 0.52 0.00 0.00 34.95 31.75 2jql s ARG 124 CO -0.10 -0.20 -0.15 0.42 0.02 0.00 0.00 175.30 175.30 2jql s ILE 125 N 1.77 2.92 -0.08 1.52 1.09 0.18 -0.80 121.20 127.80 2jql s ILE 125 Ca 0.27 -0.72 0.05 0.00 -1.10 0.00 0.00 60.65 59.15 2jql s ILE 125 Cb -0.16 -2.20 -0.01 0.00 -1.06 0.00 0.00 42.46 39.03 2jql s ILE 125 CO 0.10 0.54 -0.24 -0.69 -0.10 0.00 0.00 174.94 174.55 2jql s VAL 126 N 0.20 2.11 -0.02 2.92 1.01 0.14 -1.37 120.40 125.39 2jql s VAL 126 Ca -0.09 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 60.91 2jql s VAL 126 Cb -0.15 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 2jql s VAL 126 CO 0.05 0.56 -0.14 -0.36 0.00 0.00 0.00 175.10 175.21 2jql s PHE 127 N 0.10 1.32 0.00 5.22 0.08 -0.12 -1.02 117.98 123.56 2jql s PHE 127 Ca -0.11 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 56.67 2jql s PHE 127 Cb -0.16 -0.86 0.00 0.00 -0.57 0.00 0.00 43.02 41.43 2jql s PHE 127 CO 0.06 -0.04 0.00 0.41 -0.10 0.00 0.00 175.22 175.55 2jql n GLY 128 N 2.80 2.08 0.00 4.36 0.00 -0.83 -3.16 105.19 110.44 2jql n GLY 128 Ca -0.15 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.05 1.61 2.85 -1.26 -4.61 118.16 116.70 2jql n LYS 129 Ca 0.00 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.19 2jql n LYS 129 Cb 0.00 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.33 2jql n LYS 129 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2jql n SER 130 N 0.00 3.22 -4.53 -5.58 3.41 -1.26 -4.96 113.62 103.93 2jql n SER 130 Ca 0.00 -0.05 -0.42 0.00 -0.26 0.00 0.00 58.87 58.15 2jql n SER 130 Cb 0.00 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 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 9.88 2.57 0.04 0.00 0.01 -1.26 -0.94 113.70 124.00 2jql s SER 132 Ca 1.07 -0.46 -0.03 0.00 1.31 0.00 0.00 55.95 57.84 2jql s SER 132 Cb -0.53 -1.15 -0.02 0.00 0.21 0.00 0.00 66.02 64.53 2jql s SER 132 CO 0.37 0.00 0.04 0.72 0.41 0.00 0.00 173.24 174.78 2jql s PHE 133 N 1.12 0.32 -0.07 2.43 -0.71 -0.47 -0.49 117.98 120.10 2jql s PHE 133 Ca -0.03 -0.71 0.03 0.00 -1.04 0.00 0.00 56.93 55.17 2jql s PHE 133 Cb -0.14 -0.23 -0.02 0.00 -1.21 0.00 0.00 43.02 41.41 2jql s PHE 133 CO -0.04 -0.36 -0.14 -1.17 -1.34 0.00 0.00 175.22 172.17 2jql s LEU 134 N -2.36 2.71 -0.07 -1.99 2.96 0.11 0.49 118.68 120.53 2jql s LEU 134 Ca -0.02 -0.24 -0.03 0.00 -0.22 0.00 0.00 54.13 53.62 2jql s LEU 134 Cb 0.01 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 2jql s LEU 134 CO -0.06 0.29 0.07 0.12 -1.32 0.00 0.00 176.35 175.44 2jql s PHE 135 N -0.40 3.33 0.09 5.38 2.19 -0.08 -1.23 117.98 127.25 2jql s PHE 135 Ca 0.05 0.29 -0.18 0.00 0.33 0.00 0.00 56.93 57.42 2jql s PHE 135 Cb -0.12 -1.82 0.04 0.00 -1.31 0.00 0.00 43.02 39.81 2jql s PHE 135 CO 0.02 0.57 0.43 0.15 1.83 0.00 0.00 175.22 178.23 2jql s LYS 136 N -1.19 1.03 0.15 10.12 -0.14 -1.13 -2.33 119.74 126.25 2jql s LYS 136 Ca 0.17 -0.51 -0.25 0.00 -1.36 0.00 0.00 55.97 54.02 2jql s LYS 136 Cb -0.12 0.46 -0.08 0.00 -1.68 0.00 0.00 37.83 36.41 2jql s LYS 136 CO 0.06 -0.39 0.75 0.71 -0.76 0.00 0.00 175.35 175.73 2jql s TYR 137 N -3.18 3.90 -0.37 3.18 2.02 -1.26 -2.47 117.35 119.16 2jql s TYR 137 Ca -0.01 1.59 0.01 0.00 -0.37 0.00 0.00 57.07 58.29 2jql s TYR 137 Cb 0.00 -2.73 0.15 0.00 -0.40 0.00 0.00 41.96 38.98 2jql s TYR 137 CO -0.08 0.52 0.24 0.00 -1.57 0.00 0.00 175.55 174.67 2jql s ALA 138 N -1.13 1.07 -0.18 3.71 0.00 -0.15 -4.88 121.76 120.20 2jql s ALA 138 Ca 0.35 -2.02 -0.15 0.00 0.00 0.00 0.00 51.96 50.13 2jql s ALA 138 Cb -0.23 -1.61 -0.11 0.00 0.00 0.00 0.00 23.12 21.18 2jql s ALA 138 CO 0.25 -2.07 -0.02 -1.13 0.00 0.00 0.00 175.76 172.79 2jql n SER 139 N 3.73 1.84 -0.00 0.00 3.41 -1.24 -4.09 113.62 117.28 2jql n SER 139 Ca 0.16 0.51 -0.01 0.00 -0.26 0.00 0.00 58.87 59.28 2jql n SER 139 Cb 0.40 -0.91 -0.00 0.00 -0.26 0.00 0.00 64.21 63.44 2jql n SER 139 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2jql h SER 140 N -1.00 -0.05 -2.24 4.04 4.64 -1.94 -3.44 113.55 113.56 2jql h SER 140 Ca -0.19 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.58 2jql h SER 140 Cb 0.94 0.01 0.01 0.00 -0.31 0.00 0.00 62.40 63.06 2jql h SER 140 CO -0.12 0.25 1.32 -0.44 -0.87 0.00 0.00 176.83 176.98 2jql s SER 141 N -4.49 6.12 0.39 4.97 0.01 -1.26 -4.57 113.70 114.87 2jql s SER 141 Ca -0.01 2.43 0.00 0.00 1.31 0.00 0.00 55.95 59.68 2jql s SER 141 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2jql s SER 141 CO 0.03 -1.36 0.00 -1.20 0.41 0.00 0.00 173.24 171.12 2jql n SER 142 N 8.92 -3.36 -3.95 2.44 7.64 -1.26 -4.82 113.62 119.22 2jql n SER 142 Ca 0.23 0.75 -0.09 0.00 1.01 0.00 0.00 58.87 60.77 2jql n SER 142 Cb 0.42 3.20 -0.10 0.00 -1.01 0.00 0.00 64.21 66.73 2jql n SER 142 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2jql s THR 143 N -2.00 0.14 -0.19 0.44 -4.23 -1.26 -5.06 115.64 103.48 2jql s THR 143 Ca 0.00 -1.15 0.11 0.00 -1.18 0.00 0.00 61.69 59.47 2jql s THR 143 Cb 0.00 -0.88 -0.23 0.00 1.34 0.00 0.00 72.50 72.73 2jql s THR 143 CO 0.00 -0.64 0.10 -0.67 -0.54 0.00 0.00 174.62 172.87 2jql n ASP 144 N 0.80 0.78 0.00 3.99 2.03 -1.26 -5.00 116.55 117.89 2jql n ASP 144 Ca -0.19 0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.16 2jql n ASP 144 Cb 0.58 0.36 0.00 0.00 -0.72 0.00 0.00 41.12 41.34 2jql n ASP 144 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jql n ILE 145 N -2.97 0.00 -3.60 5.18 0.13 -1.26 -5.16 119.36 111.67 2jql n ILE 145 Ca -0.34 0.00 -0.02 0.00 -1.10 0.00 0.00 62.75 61.29 2jql n ILE 145 Cb 1.09 -0.01 -0.05 0.00 -0.84 0.00 0.00 39.64 39.83 2jql n ILE 145 CO 0.00 0.00 0.00 -0.70 2.80 0.00 0.00 176.55 178.65 2jql s GLU 146 N 2.16 0.53 -0.41 9.51 2.12 -1.26 -5.11 118.70 126.24 2jql s GLU 146 Ca 0.00 1.23 0.03 0.00 0.36 0.00 0.00 54.97 56.60 2jql s GLU 146 Cb 0.00 0.63 0.19 0.00 0.26 0.00 0.00 34.13 35.20 2jql s GLU 146 CO 0.00 -0.17 0.77 1.21 -0.54 0.00 0.00 175.26 176.53 2jql s ASN 147 N 2.51 -1.18 0.17 -1.70 3.84 -1.26 -5.02 114.94 112.31 2jql s ASN 147 Ca -0.06 -0.80 0.00 0.00 0.21 0.00 0.00 52.86 52.20 2jql s ASN 147 Cb -0.09 1.52 0.00 0.00 -0.55 0.00 0.00 41.25 42.13 2jql s ASN 147 CO -0.19 -0.11 0.00 -0.67 -2.79 0.00 0.00 177.10 173.35 2jql n ASP 148 N 3.86 -1.56 -4.28 -4.21 -0.08 -1.26 -5.09 116.55 103.92 2jql n ASP 148 Ca 0.11 0.54 -0.39 0.00 -1.51 0.00 0.00 54.79 53.54 2jql n ASP 148 Cb 0.59 1.70 -0.12 0.00 2.34 0.00 0.00 41.12 45.63 2jql n ASP 148 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2jql s ASP 149 N -2.00 5.45 0.83 1.67 2.15 -1.26 -5.09 116.67 118.42 2jql s ASP 149 Ca 0.00 -1.24 -0.11 0.00 0.43 0.00 0.00 52.55 51.63 2jql s ASP 149 Cb 0.00 -1.92 0.10 0.00 -0.30 0.00 0.00 42.92 40.80 2jql s ASP 149 CO 0.00 -0.39 1.14 -0.70 -0.17 0.00 0.00 175.17 175.05 2jql s GLU 150 N 1.42 1.63 0.00 4.34 2.56 -1.26 -4.99 118.70 122.40 2jql s GLU 150 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 54.97 56.45 2jql s GLU 150 Cb -0.20 -1.80 0.00 0.00 2.00 0.00 0.00 34.13 34.12 2jql s GLU 150 CO 0.03 -2.16 0.00 1.63 -0.56 0.00 0.00 175.26 174.20 2jql n LYS 151 N -3.69 0.00 -4.02 4.30 4.76 -1.26 -5.12 118.16 113.12 2jql n LYS 151 Ca 0.11 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.24 2jql n LYS 151 Cb 0.52 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.65 2jql n LYS 151 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2jql s VAL 152 N -0.71 4.82 -0.01 -0.18 0.11 -1.26 -5.06 120.40 118.11 2jql s VAL 152 Ca 0.00 -0.57 -0.02 0.00 -2.93 0.00 0.00 61.98 58.47 2jql s VAL 152 Cb 0.00 -3.30 -0.01 0.00 -1.53 0.00 0.00 36.38 31.55 2jql s VAL 152 CO 0.00 0.19 -0.03 -1.20 -3.33 0.00 0.00 175.10 170.73 2jql n SER 153 N 0.61 0.21 -3.61 3.54 7.64 -1.26 -5.05 113.62 115.70 2jql n SER 153 Ca -0.09 0.04 -0.28 0.00 1.01 0.00 0.00 58.87 59.54 2jql n SER 153 Cb 0.52 -0.43 0.22 0.00 -1.01 0.00 0.00 64.21 63.52 2jql n SER 153 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2jql n SER 154 N -2.71 -1.30 -0.09 6.43 2.88 -1.26 -5.02 113.62 112.55 2jql n SER 154 Ca -0.01 -1.25 -0.10 0.00 -1.33 0.00 0.00 58.87 56.18 2jql n SER 154 Cb 0.05 -0.96 -0.14 0.00 -0.75 0.00 0.00 64.21 62.41 2jql n SER 154 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2jql n GLU 155 N -4.34 0.99 -3.77 -1.46 -0.00 -1.26 -5.01 120.64 105.78 2jql n GLU 155 Ca 0.15 0.01 -0.25 0.00 -0.00 0.00 0.00 57.16 57.08 2jql n GLU 155 Cb 0.56 -1.46 -0.01 0.00 -0.00 0.00 0.00 31.44 30.53 2jql n GLU 155 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2jql s SER 156 N -5.37 4.72 -0.32 -1.84 0.15 -1.26 -5.11 113.70 104.67 2jql s SER 156 Ca -0.13 -1.13 0.03 0.00 0.70 0.00 0.00 55.95 55.43 2jql s SER 156 Cb 0.06 0.22 0.09 0.00 -1.71 0.00 0.00 66.02 64.68 2jql s SER 156 CO 0.70 -1.04 0.02 -0.13 1.20 0.00 0.00 173.24 174.00 2jql s ARG 157 N -4.28 1.51 -0.16 5.44 0.52 -1.26 -5.07 118.95 115.66 2jql s ARG 157 Ca 0.39 -1.64 -0.05 0.00 -0.52 0.00 0.00 55.73 53.91 2jql s ARG 157 Cb -0.02 -2.97 0.08 0.00 0.52 0.00 0.00 34.95 32.55 2jql s ARG 157 CO 0.24 -0.87 0.30 0.45 0.02 0.00 0.00 175.30 175.44 2jql s SER 158 N 1.05 0.33 0.00 0.23 0.15 -1.26 -5.28 113.70 108.92 2jql s SER 158 Ca 0.07 0.56 0.01 0.00 0.70 0.00 0.00 55.95 57.29 2jql s SER 158 Cb -0.19 0.82 0.03 0.00 -1.71 0.00 0.00 66.02 64.97 2jql s SER 158 CO -0.09 -0.25 0.53 0.00 1.20 0.00 0.00 173.24 174.63