#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 4.11 0.00 1.64 0.52 -1.26 -4.73 118.95 119.23 2jql s ARG 20 Ca 0.00 -0.25 0.00 0.00 -0.52 0.00 0.00 55.73 54.96 2jql s ARG 20 Cb 0.00 -3.51 0.00 0.00 0.52 0.00 0.00 34.95 31.96 2jql s ARG 20 CO 0.00 0.13 0.00 0.94 0.02 0.00 0.00 175.30 176.39 2jql n GLN 21 N 4.07 0.00 -1.62 3.54 7.27 -1.26 -5.15 117.38 124.23 2jql n GLN 21 Ca -0.15 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.63 2jql n GLN 21 Cb 0.52 0.00 0.11 0.00 2.41 0.00 0.00 30.24 33.28 2jql n GLN 21 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2jql s GLN 22 N -1.03 1.57 -0.07 3.69 1.11 -1.26 -5.01 119.66 118.66 2jql s GLN 22 Ca 0.00 0.34 0.11 0.00 0.01 0.00 0.00 55.36 55.82 2jql s GLN 22 Cb 0.00 -1.88 -0.16 0.00 -1.01 0.00 0.00 33.01 29.96 2jql s GLN 22 CO 0.00 -1.91 0.13 -2.13 0.01 0.00 0.00 175.29 171.39 2jql n ARG 23 N -3.58 1.41 -3.19 2.91 0.63 -1.26 -5.03 116.66 108.55 2jql n ARG 23 Ca 0.07 -0.05 -0.15 0.00 -0.92 0.00 0.00 57.85 56.80 2jql n ARG 23 Cb 0.59 -1.29 0.06 0.00 0.45 0.00 0.00 32.46 32.27 2jql n ARG 23 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2jql n SER 24 N -2.20 -3.98 -1.27 6.15 7.64 -1.26 -4.78 113.62 113.91 2jql n SER 24 Ca -0.11 -0.41 0.14 0.00 1.01 0.00 0.00 58.87 59.50 2jql n SER 24 Cb 0.63 -3.79 -0.03 0.00 -1.01 0.00 0.00 64.21 60.01 2jql n SER 24 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2jql n ASN 25 N -2.04 -7.56 -3.17 6.43 4.13 -1.26 -4.92 115.26 106.87 2jql n ASN 25 Ca -0.07 1.09 0.03 0.00 1.68 0.00 0.00 54.58 57.30 2jql n ASN 25 Cb 0.57 -3.06 -0.01 0.00 -1.54 0.00 0.00 39.78 35.74 2jql n ASN 25 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2jql s LYS 26 N -1.58 0.55 0.90 3.52 2.36 -1.26 -5.16 119.74 119.06 2jql s LYS 26 Ca 0.00 0.71 -0.11 0.00 -2.55 0.00 0.00 55.97 54.02 2jql s LYS 26 Cb 0.00 0.32 0.11 0.00 -1.05 0.00 0.00 37.83 37.20 2jql s LYS 26 CO 0.00 -0.86 0.96 -2.30 1.55 0.00 0.00 175.35 174.70 2jql n PRO 27 N 5.42 -0.29 -2.30 4.03 -0.02 -1.26 -4.61 135.00 135.96 2jql n PRO 27 Ca 0.02 -0.02 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 2jql n PRO 27 Cb 0.52 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.74 2jql n PRO 27 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2jql n SER 28 N -3.26 -4.14 -0.03 2.55 7.64 -1.26 -4.99 113.62 110.13 2jql n SER 28 Ca 0.11 1.35 0.02 0.00 1.01 0.00 0.00 58.87 61.36 2jql n SER 28 Cb 0.52 -4.62 -0.11 0.00 -1.01 0.00 0.00 64.21 59.00 2jql n SER 28 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2jql n SER 29 N 1.50 1.80 -2.50 6.43 2.88 -1.26 -5.08 113.62 117.39 2jql n SER 29 Ca -0.20 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.34 2jql n SER 29 Cb 0.31 1.36 -0.00 0.00 -0.75 0.00 0.00 64.21 65.13 2jql n SER 29 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jql n GLU 30 N -2.15 -2.91 0.00 -1.46 1.02 -1.26 -5.02 120.64 108.86 2jql n GLU 30 Ca -0.09 2.40 0.00 0.00 -0.02 0.00 0.00 57.16 59.46 2jql n GLU 30 Cb 0.55 -4.61 0.00 0.00 -0.02 0.00 0.00 31.44 27.37 2jql n GLU 30 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2jql n TYR 31 N 0.59 0.00 -3.76 -0.32 4.01 -1.26 -4.95 117.16 111.47 2jql n TYR 31 Ca -0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.58 2jql n TYR 31 Cb 0.01 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 38.88 2jql n TYR 31 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2jql s THR 32 N 0.00 -0.07 0.25 -0.72 2.01 -1.26 -5.03 115.64 110.82 2jql s THR 32 Ca 0.00 0.24 -0.31 0.00 0.31 0.00 0.00 61.69 61.93 2jql s THR 32 Cb 0.00 -0.11 -0.12 0.00 0.01 0.00 0.00 72.50 72.29 2jql s THR 32 CO 0.00 0.10 1.67 0.00 -0.69 0.00 0.00 174.62 175.70 2jql n LEU 34 N 3.21 0.19 0.00 0.00 7.94 -1.15 -4.92 117.00 122.27 2jql n LEU 34 Ca 0.13 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.98 2jql n LEU 34 Cb 0.36 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.29 2jql n LEU 34 CO 0.64 -0.25 -0.02 0.61 -1.11 0.00 0.00 177.39 177.26 2jql n GLY 35 N 1.86 3.75 3.28 -3.96 0.00 -1.16 -2.40 105.19 106.55 2jql n GLY 35 Ca 0.00 -1.70 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.39 0.45 -0.09 1.61 3.76 -0.49 -2.02 115.29 116.13 2jql s HIS 36 Ca 0.09 -0.84 0.02 0.00 -0.15 0.00 0.00 55.06 54.18 2jql s HIS 36 Cb 0.00 -0.15 0.01 0.00 1.11 0.00 0.00 32.58 33.56 2jql s HIS 36 CO 0.06 -0.65 -0.13 -0.51 -0.85 0.00 0.00 174.74 172.66 2jql s LEU 37 N -2.97 1.64 -0.21 0.89 1.02 0.82 -3.04 118.68 116.83 2jql s LEU 37 Ca 0.16 -0.35 -0.04 0.00 0.02 0.00 0.00 54.13 53.92 2jql s LEU 37 Cb 0.04 -0.94 -0.02 0.00 0.02 0.00 0.00 46.19 45.30 2jql s LEU 37 CO -0.01 0.02 -0.02 -0.69 0.02 0.00 0.00 176.35 175.66 2jql s VAL 38 N 0.86 3.61 -0.37 -1.59 1.01 -0.86 -0.71 120.40 122.35 2jql s VAL 38 Ca -0.10 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.23 2jql s VAL 38 Cb -0.15 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.60 2jql s VAL 38 CO 0.01 0.42 0.75 0.20 0.00 0.00 0.00 175.10 176.49 2jql s ASN 39 N 1.28 6.51 -0.49 3.32 -0.87 0.22 -0.25 114.94 124.66 2jql s ASN 39 Ca 0.04 0.26 -0.20 0.00 -1.57 0.00 0.00 52.86 51.39 2jql s ASN 39 Cb -0.14 -2.38 0.05 0.00 -0.02 0.00 0.00 41.25 38.75 2jql s ASN 39 CO -0.01 -0.73 0.64 -0.76 -2.57 0.00 0.00 177.10 173.68 2jql s LEU 40 N 3.04 4.79 -0.00 0.60 1.02 0.18 -2.88 118.68 125.43 2jql s LEU 40 Ca 0.30 -0.73 0.07 0.00 0.02 0.00 0.00 54.13 53.78 2jql s LEU 40 Cb -0.13 -2.53 -0.02 0.00 0.02 0.00 0.00 46.19 43.53 2jql s LEU 40 CO 0.17 -0.87 -0.21 -0.63 0.02 0.00 0.00 176.35 174.83 2jql s ILE 41 N 2.74 1.64 -1.12 -0.59 1.09 -1.24 -3.77 121.20 119.95 2jql s ILE 41 Ca 0.18 -0.95 -0.22 0.00 -1.10 0.00 0.00 60.65 58.56 2jql s ILE 41 Cb -0.17 -1.38 -0.08 0.00 -1.06 0.00 0.00 42.46 39.77 2jql s ILE 41 CO 0.14 0.41 1.92 -0.81 -0.10 0.00 0.00 174.94 176.49 2jql n PRO 42 N 2.42 1.85 0.00 2.79 -0.04 -1.26 -2.46 135.00 138.30 2jql n PRO 42 Ca -0.16 -2.45 0.00 0.00 -0.04 0.00 0.00 63.50 60.86 2jql n PRO 42 Cb 0.53 -3.50 0.00 0.00 -0.04 0.00 0.00 33.50 30.49 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 5.38 1.65 0.00 0.55 0.00 -1.26 -5.12 105.19 106.39 2jql n GLY 43 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 0.00 -1.28 -3.64 1.61 4.81 -1.03 -5.19 118.16 113.44 2jql n LYS 44 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 2jql n LYS 44 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 2jql n LYS 44 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2jql s GLU 45 N -0.51 0.09 -0.10 1.64 4.04 -1.26 -3.73 118.70 118.87 2jql s GLU 45 Ca 0.00 0.01 -0.05 0.00 0.04 0.00 0.00 54.97 54.97 2jql s GLU 45 Cb 0.00 0.04 0.05 0.00 0.02 0.00 0.00 34.13 34.24 2jql s GLU 45 CO 0.00 -0.03 0.24 -1.14 -1.84 0.00 0.00 175.26 172.49 2jql s GLN 46 N -1.15 0.20 -0.16 -4.83 0.74 -1.14 -4.96 119.66 108.36 2jql s GLN 46 Ca 0.09 0.52 -0.02 0.00 0.05 0.00 0.00 55.36 56.00 2jql s GLN 46 Cb -0.01 -0.12 -0.01 0.00 1.10 0.00 0.00 33.01 33.97 2jql s GLN 46 CO -0.07 -0.16 -0.10 0.21 -0.55 0.00 0.00 175.29 174.62 2jql s LYS 47 N 1.24 3.40 0.08 1.67 2.47 -1.26 0.69 119.74 128.03 2jql s LYS 47 Ca -0.09 -0.65 0.08 0.00 -1.56 0.00 0.00 55.97 53.74 2jql s LYS 47 Cb -0.10 -2.78 -0.03 0.00 -1.46 0.00 0.00 37.83 33.46 2jql s LYS 47 CO -0.08 0.07 -0.21 0.08 0.16 0.00 0.00 175.35 175.37 2jql s VAL 48 N 0.74 1.68 -0.04 4.02 1.01 0.11 -4.98 120.40 122.95 2jql s VAL 48 Ca -0.04 -1.44 -0.14 0.00 0.00 0.00 0.00 61.98 60.36 2jql s VAL 48 Cb -0.15 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 2jql s VAL 48 CO 0.02 0.01 0.37 -1.61 0.00 0.00 0.00 175.10 173.89 2jql s GLU 49 N -1.69 3.94 -0.10 2.72 2.02 -1.26 -0.13 118.70 124.20 2jql s GLU 49 Ca 0.06 0.32 0.02 0.00 0.02 0.00 0.00 54.97 55.40 2jql s GLU 49 Cb -0.10 -3.26 -0.01 0.00 0.10 0.00 0.00 34.13 30.86 2jql s GLU 49 CO 0.03 0.60 -0.17 -1.50 0.02 0.00 0.00 175.26 174.24 2jql s ILE 50 N -0.73 2.71 0.39 -1.63 2.07 -0.85 -4.92 121.20 118.23 2jql s ILE 50 Ca 0.22 -0.80 0.07 0.00 -1.41 0.00 0.00 60.65 58.73 2jql s ILE 50 Cb -0.16 -2.09 -0.00 0.00 0.13 0.00 0.00 42.46 40.34 2jql s ILE 50 CO 0.11 0.55 0.51 0.42 -1.91 0.00 0.00 174.94 174.61 2jql s THR 51 N 0.12 3.36 -1.34 4.00 -4.23 -1.26 -2.92 115.64 113.38 2jql s THR 51 Ca -0.09 -1.05 -0.11 0.00 -1.18 0.00 0.00 61.69 59.27 2jql s THR 51 Cb -0.15 -3.15 -0.06 0.00 1.34 0.00 0.00 72.50 70.48 2jql s THR 51 CO 0.05 -0.06 2.51 -0.46 -0.54 0.00 0.00 174.62 176.12 2jql n ASN 52 N -1.73 6.22 -0.08 3.99 0.23 -1.18 -4.55 115.26 118.15 2jql n ASN 52 Ca 0.04 -2.58 0.14 0.00 -0.53 0.00 0.00 54.58 51.66 2jql n ASN 52 Cb 0.59 -1.43 0.81 0.00 -2.08 0.00 0.00 39.78 37.67 2jql n ASN 52 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2jql n ARG 53 N 4.60 1.11 0.00 -3.83 0.63 -1.26 -4.88 116.66 113.03 2jql n ARG 53 Ca 0.62 -0.15 0.00 0.00 -0.92 0.00 0.00 57.85 57.40 2jql n ARG 53 Cb 0.26 -1.46 0.00 0.00 0.45 0.00 0.00 32.46 31.71 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 -0.78 0.00 -3.91 6.15 4.05 -0.84 -4.79 115.26 115.14 2jql n ASN 54 Ca 0.21 0.00 -0.15 0.00 0.45 0.00 0.00 54.58 55.10 2jql n ASN 54 Cb 0.14 0.00 -0.14 0.00 1.23 0.00 0.00 39.78 41.00 2jql n ASN 54 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2jql s VAL 55 N 0.00 0.25 -0.09 3.44 1.01 -1.26 -1.68 120.40 122.08 2jql s VAL 55 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.89 2jql s VAL 55 Cb 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 36.38 36.16 2jql s VAL 55 CO 0.00 0.08 -0.16 -0.89 0.00 0.00 0.00 175.10 174.13 2jql s THR 56 N 0.05 1.49 -0.12 3.92 2.01 0.47 -4.87 115.64 118.59 2jql s THR 56 Ca -0.00 -0.67 -0.05 0.00 0.31 0.00 0.00 61.69 61.28 2jql s THR 56 Cb -0.03 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 2jql s THR 56 CO -0.00 0.44 0.06 0.42 -0.69 0.00 0.00 174.62 174.85 2jql s THR 57 N 0.70 4.82 -0.08 -0.82 -4.23 -1.26 -0.70 115.64 114.08 2jql s THR 57 Ca -0.13 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 2jql s THR 57 Cb -0.16 -3.09 0.02 0.00 1.34 0.00 0.00 72.50 70.61 2jql s THR 57 CO 0.03 0.57 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.99 2jql s ILE 58 N -0.62 0.81 0.00 2.99 1.09 -0.94 0.15 121.20 124.68 2jql s ILE 58 Ca 0.11 -0.21 0.00 0.00 -1.10 0.00 0.00 60.65 59.45 2jql s ILE 58 Cb -0.12 -0.83 0.00 0.00 -1.06 0.00 0.00 42.46 40.45 2jql s ILE 58 CO 0.02 0.31 0.00 0.61 -0.10 0.00 0.00 174.94 175.78 2jql n GLY 59 N 4.53 -0.71 0.04 6.18 0.00 -0.93 -3.06 105.19 111.24 2jql n GLY 59 Ca -0.17 0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.86 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 1.47 -1.69 1.61 0.63 -1.22 -0.39 116.66 117.08 2jql n ARG 60 Ca 0.00 -0.05 -0.43 0.00 -0.92 0.00 0.00 57.85 56.46 2jql n ARG 60 Cb 0.00 -1.30 -0.01 0.00 0.45 0.00 0.00 32.46 31.60 2jql n ARG 60 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2jql n SER 61 N -2.25 2.68 0.16 6.15 7.64 -1.26 -4.89 113.62 121.85 2jql n SER 61 Ca -0.13 1.20 0.00 0.00 1.01 0.00 0.00 58.87 60.95 2jql n SER 61 Cb 0.68 -1.46 0.25 0.00 -1.01 0.00 0.00 64.21 62.67 2jql n SER 61 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2jql h ARG 62 N 2.79 0.00 0.00 1.43 9.65 -1.98 -2.76 114.38 123.51 2jql h ARG 62 Ca -0.45 -0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.37 2jql h ARG 62 Cb 1.28 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.86 2jql h ARG 62 CO 0.65 0.51 -0.29 0.77 2.80 0.00 0.00 179.97 184.41 2jql h SER 63 N 0.00 0.00 -3.49 -3.80 0.02 -2.00 -3.45 113.55 100.83 2jql h SER 63 Ca -0.01 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.44 2jql h SER 63 Cb 0.90 0.00 0.21 0.00 0.14 0.00 0.00 62.40 63.66 2jql h SER 63 CO 0.07 0.29 -0.32 0.00 -1.14 0.00 0.00 176.83 175.72 2jql h ASP 65 N -1.91 -0.37 -3.42 0.00 5.19 0.10 -3.43 116.42 112.59 2jql h ASP 65 Ca -0.47 -0.15 -0.67 0.00 -0.62 0.00 0.00 57.03 55.12 2jql h ASP 65 Cb 1.30 0.09 -0.33 0.00 0.18 0.00 0.00 39.33 40.57 2jql h ASP 65 CO 0.39 0.10 -0.79 -0.69 -3.12 0.00 0.00 179.24 175.13 2jql s VAL 66 N -3.67 2.56 -0.16 -1.35 1.01 0.15 -4.94 120.40 114.00 2jql s VAL 66 Ca -0.11 -1.05 -0.16 0.00 0.00 0.00 0.00 61.98 60.66 2jql s VAL 66 Cb 0.01 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 2jql s VAL 66 CO 0.39 0.29 0.41 0.27 0.00 0.00 0.00 175.10 176.45 2jql s ILE 67 N 1.29 5.22 0.50 2.22 -4.36 -1.26 -2.19 121.20 122.63 2jql s ILE 67 Ca 0.01 0.77 -0.02 0.00 -0.26 0.00 0.00 60.65 61.15 2jql s ILE 67 Cb -0.16 -3.74 0.00 0.00 1.25 0.00 0.00 42.46 39.81 2jql s ILE 67 CO -0.07 0.31 0.76 -0.76 0.24 0.00 0.00 174.94 175.41 2jql s LEU 68 N 0.88 3.49 -0.44 0.37 1.43 0.48 -4.96 118.68 119.93 2jql s LEU 68 Ca 0.21 0.44 0.04 0.00 -1.03 0.00 0.00 54.13 53.79 2jql s LEU 68 Cb -0.14 -3.30 0.61 0.00 0.03 0.00 0.00 46.19 43.38 2jql s LEU 68 CO 0.08 -0.84 1.82 -1.20 0.23 0.00 0.00 176.35 176.43 2jql n SER 69 N -2.27 3.94 -4.76 2.29 7.64 -1.26 -4.79 113.62 114.41 2jql n SER 69 Ca 0.03 -3.68 -0.38 0.00 1.01 0.00 0.00 58.87 55.85 2jql n SER 69 Cb 0.58 -0.80 -0.06 0.00 -1.01 0.00 0.00 64.21 62.92 2jql n SER 69 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2jql s GLU 70 N -3.36 4.23 0.22 1.43 -6.30 -1.26 -4.96 118.70 108.70 2jql s GLU 70 Ca 0.55 0.50 0.20 0.00 -2.50 0.00 0.00 54.97 53.72 2jql s GLU 70 Cb 0.47 -3.36 0.91 0.00 0.00 0.00 0.00 34.13 32.15 2jql s GLU 70 CO 0.07 0.35 1.61 -0.35 0.02 0.00 0.00 175.26 176.96 2jql n PRO 71 N 2.94 0.14 -2.39 4.30 -0.04 -1.26 -2.75 135.00 135.93 2jql n PRO 71 Ca -0.09 0.47 -0.04 0.00 -0.04 0.00 0.00 63.50 63.80 2jql n PRO 71 Cb 0.52 -1.82 0.05 0.00 -0.04 0.00 0.00 33.50 32.20 2jql n PRO 71 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2jql n ASP 72 N -2.09 2.24 -4.66 3.54 8.00 -1.26 -5.07 116.55 117.25 2jql n ASP 72 Ca 0.01 -2.48 -0.42 0.00 0.71 0.00 0.00 54.79 52.61 2jql n ASP 72 Cb 0.15 -0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 40.79 2jql n ASP 72 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2jql s ILE 73 N -3.48 4.75 0.25 0.53 1.10 -1.11 -4.99 121.20 118.25 2jql s ILE 73 Ca 0.34 1.88 -0.31 0.00 -0.51 0.00 0.00 60.65 62.05 2jql s ILE 73 Cb 0.35 -4.25 -0.13 0.00 0.15 0.00 0.00 42.46 38.58 2jql s ILE 73 CO -0.04 -0.11 1.48 -0.24 -2.11 0.00 0.00 174.94 173.92 2jql n SER 74 N 5.97 3.13 -0.19 4.50 2.88 -1.26 -3.84 113.62 124.81 2jql n SER 74 Ca 0.09 1.14 -0.07 0.00 -1.33 0.00 0.00 58.87 58.70 2jql n SER 74 Cb 0.47 -1.48 0.02 0.00 -0.75 0.00 0.00 64.21 62.47 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 3.19 1.19 -0.59 2.46 2.02 -1.92 -2.63 112.91 116.63 2jql h THR 75 Ca -0.45 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.24 2jql h THR 75 Cb 1.26 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 2jql h THR 75 CO 0.78 0.20 0.00 0.49 0.37 0.00 0.00 175.52 177.36 2jql n PHE 76 N -4.61 1.23 0.00 3.16 3.72 -1.26 -4.17 117.46 115.52 2jql n PHE 76 Ca 0.03 -0.60 0.00 0.00 -0.05 0.00 0.00 57.45 56.82 2jql n PHE 76 Cb 0.09 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 2jql n PHE 76 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2jql n HIS 77 N 0.98 0.00 -3.97 1.38 -0.00 -0.99 -4.37 115.22 108.25 2jql n HIS 77 Ca 0.23 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.32 2jql n HIS 77 Cb 0.79 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.58 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 -2.76 0.11 -0.03 1.57 0.00 -1.17 -1.17 121.76 118.31 2jql s ALA 78 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.06 2jql s ALA 78 Cb 0.00 0.66 0.01 0.00 0.00 0.00 0.00 23.12 23.79 2jql s ALA 78 CO 0.00 -0.54 -0.06 -1.21 0.00 0.00 0.00 175.76 173.95 2jql s GLU 79 N -3.94 0.72 -0.12 0.00 2.02 -1.13 -2.21 118.70 114.04 2jql s GLU 79 Ca 0.13 -0.17 0.03 0.00 0.02 0.00 0.00 54.97 54.98 2jql s GLU 79 Cb 0.05 -0.72 0.00 0.00 0.10 0.00 0.00 34.13 33.57 2jql s GLU 79 CO -0.05 0.02 -0.22 -0.06 0.02 0.00 0.00 175.26 174.97 2jql s PHE 80 N 0.46 2.63 -0.32 1.61 0.08 0.13 -2.06 117.98 120.51 2jql s PHE 80 Ca -0.06 -1.12 -0.17 0.00 0.12 0.00 0.00 56.93 55.70 2jql s PHE 80 Cb -0.10 -1.77 -0.01 0.00 -0.57 0.00 0.00 43.02 40.57 2jql s PHE 80 CO 0.00 -0.48 0.44 -1.01 -0.10 0.00 0.00 175.22 174.08 2jql s HIS 81 N 0.53 3.21 -0.37 0.36 3.76 -0.90 0.18 115.29 122.06 2jql s HIS 81 Ca -0.13 0.21 -0.09 0.00 -0.15 0.00 0.00 55.06 54.89 2jql s HIS 81 Cb -0.17 -2.76 0.04 0.00 1.11 0.00 0.00 32.58 30.79 2jql s HIS 81 CO 0.04 -0.43 0.18 -1.17 -0.85 0.00 0.00 174.74 172.52 2jql s LEU 82 N 2.22 4.64 -0.02 0.89 2.96 -0.68 -2.50 118.68 126.19 2jql s LEU 82 Ca 0.16 -1.11 0.07 0.00 -0.22 0.00 0.00 54.13 53.03 2jql s LEU 82 Cb -0.16 -1.97 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 2jql s LEU 82 CO 0.12 -0.39 -0.23 -1.48 -1.32 0.00 0.00 176.35 173.05 2jql s LEU 83 N 1.49 2.05 -0.26 -0.68 2.34 -1.15 -1.99 118.68 120.48 2jql s LEU 83 Ca 0.01 -0.42 -0.09 0.00 0.06 0.00 0.00 54.13 53.69 2jql s LEU 83 Cb -0.20 -1.17 -0.04 0.00 -0.56 0.00 0.00 46.19 44.22 2jql s LEU 83 CO 0.05 0.28 0.12 -1.58 -1.06 0.00 0.00 176.35 174.16 2jql s GLN 84 N -0.56 3.81 -0.06 1.48 -0.44 -1.26 -2.89 119.66 119.73 2jql s GLN 84 Ca 0.09 -0.40 0.01 0.00 -2.50 0.00 0.00 55.36 52.56 2jql s GLN 84 Cb -0.09 -3.46 0.02 0.00 -1.64 0.00 0.00 33.01 27.85 2jql s GLN 84 CO -0.01 -0.14 -0.08 -1.64 0.50 0.00 0.00 175.29 173.92 2jql s MET 85 N 1.56 1.27 -0.11 1.67 -1.94 -0.84 -5.04 119.30 115.87 2jql s MET 85 Ca 0.06 -0.24 -0.03 0.00 -1.71 0.00 0.00 55.69 53.78 2jql s MET 85 Cb -0.15 -1.19 -0.03 0.00 2.01 0.00 0.00 34.83 35.47 2jql s MET 85 CO 0.06 -0.08 -0.00 0.16 -0.01 0.00 0.00 175.02 175.15 2jql s ASP 86 N 1.00 5.18 -0.00 3.03 1.47 -1.26 -0.90 116.67 125.18 2jql s ASP 86 Ca -0.09 0.08 0.01 0.00 1.18 0.00 0.00 52.55 53.72 2jql s ASP 86 Cb -0.15 -1.58 0.00 0.00 -0.34 0.00 0.00 42.92 40.86 2jql s ASP 86 CO -0.00 0.31 -0.02 -0.69 0.68 0.00 0.00 175.17 175.46 2jql s VAL 87 N -0.50 0.14 0.00 2.11 1.01 -1.08 -4.92 120.40 117.17 2jql s VAL 87 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2jql s VAL 87 Cb -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.12 2jql s VAL 87 CO 0.02 0.05 0.00 0.47 0.00 0.00 0.00 175.10 175.64 2jql n ASP 88 N 3.14 0.00 0.00 3.32 9.92 -1.26 -2.98 116.55 128.69 2jql n ASP 88 Ca -0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.12 2jql n ASP 88 Cb 0.58 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.06 2jql n ASP 88 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2jql n ASN 89 N 2.23 0.00 -3.32 -2.24 2.85 -1.26 -5.15 115.26 108.36 2jql n ASN 89 Ca 0.00 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.25 2jql n ASN 89 Cb 0.00 0.03 0.17 0.00 1.24 0.00 0.00 39.78 41.21 2jql n ASN 89 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2jql n PHE 90 N -1.08 -3.82 -4.39 1.20 3.72 -1.16 -5.06 117.46 106.86 2jql n PHE 90 Ca 0.00 -0.79 -0.24 0.00 -0.05 0.00 0.00 57.45 56.37 2jql n PHE 90 Cb 0.00 -0.79 -0.17 0.00 -0.94 0.00 0.00 39.48 37.59 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 -4.96 1.54 0.01 -1.08 -2.07 -1.26 -2.62 119.66 109.22 2jql s GLN 91 Ca 0.53 -0.34 0.05 0.00 -1.82 0.00 0.00 55.36 53.79 2jql s GLN 91 Cb -0.03 -1.36 -0.03 0.00 -1.09 0.00 0.00 33.01 30.50 2jql s GLN 91 CO 0.39 -0.05 -0.15 0.50 -1.32 0.00 0.00 175.29 174.66 2jql s ARG 92 N 0.90 2.28 -0.20 9.60 3.52 -0.08 -4.99 118.95 129.97 2jql s ARG 92 Ca -0.10 -0.86 -0.02 0.00 -0.13 0.00 0.00 55.73 54.62 2jql s ARG 92 Cb -0.15 -2.29 -0.00 0.00 -1.56 0.00 0.00 34.95 30.95 2jql s ARG 92 CO 0.01 0.57 -0.09 -0.80 -0.81 0.00 0.00 175.30 174.19 2jql s ASN 93 N -1.23 3.99 -0.12 -2.12 0.02 -1.26 -1.99 114.94 112.24 2jql s ASN 93 Ca 0.14 -0.45 -0.04 0.00 -1.02 0.00 0.00 52.86 51.50 2jql s ASN 93 Cb -0.11 -1.67 -0.03 0.00 0.02 0.00 0.00 41.25 39.46 2jql s ASN 93 CO 0.04 -0.00 0.01 -0.76 0.02 0.00 0.00 177.10 176.42 2jql s LEU 94 N 1.35 3.61 -0.00 0.60 1.43 -1.14 -4.89 118.68 119.63 2jql s LEU 94 Ca 0.04 0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.31 2jql s LEU 94 Cb -0.14 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 2jql s LEU 94 CO -0.05 0.30 -0.22 -0.63 0.23 0.00 0.00 176.35 175.98 2jql s ILE 95 N -0.40 1.73 0.01 -0.59 1.09 -1.13 -2.94 121.20 118.98 2jql s ILE 95 Ca 0.08 -1.00 0.07 0.00 -1.10 0.00 0.00 60.65 58.70 2jql s ILE 95 Cb -0.12 -1.45 -0.03 0.00 -1.06 0.00 0.00 42.46 39.80 2jql s ILE 95 CO 0.02 0.43 -0.21 0.21 -0.10 0.00 0.00 174.94 175.29 2jql s ASN 96 N -0.67 3.50 -0.12 3.58 2.47 -1.04 0.97 114.94 123.63 2jql s ASN 96 Ca 0.08 -0.44 -0.02 0.00 0.42 0.00 0.00 52.86 52.91 2jql s ASN 96 Cb -0.09 -0.51 -0.03 0.00 -1.45 0.00 0.00 41.25 39.18 2jql s ASN 96 CO -0.00 0.29 -0.06 -0.69 -3.72 0.00 0.00 177.10 172.92 2jql s VAL 97 N -0.79 3.73 -0.08 -5.21 1.01 0.15 -2.12 120.40 117.10 2jql s VAL 97 Ca 0.12 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.68 2jql s VAL 97 Cb -0.10 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.70 2jql s VAL 97 CO 0.02 0.53 -0.12 -0.63 0.00 0.00 0.00 175.10 174.91 2jql s ILE 98 N -0.05 1.19 -0.27 2.22 1.01 -0.87 -2.95 121.20 121.48 2jql s ILE 98 Ca 0.01 -0.47 -0.25 0.00 0.00 0.00 0.00 60.65 59.93 2jql s ILE 98 Cb -0.13 -1.11 -0.00 0.00 0.01 0.00 0.00 42.46 41.22 2jql s ILE 98 CO 0.03 0.38 0.84 1.51 0.00 0.00 0.00 174.94 177.70 2jql s ASP 99 N 0.95 6.79 -0.22 3.58 -4.77 -1.26 -2.85 116.67 118.90 2jql s ASP 99 Ca -0.09 0.93 0.20 0.00 -3.30 0.00 0.00 52.55 50.30 2jql s ASP 99 Cb -0.15 -2.44 0.45 0.00 -1.09 0.00 0.00 42.92 39.69 2jql s ASP 99 CO 0.00 -0.58 1.20 0.29 0.70 0.00 0.00 175.17 176.78 2jql n LYS 100 N 6.15 1.28 -2.92 2.11 5.02 -0.83 -5.03 118.16 123.94 2jql n LYS 100 Ca 0.06 -2.70 -0.21 0.00 -2.02 0.00 0.00 58.31 53.44 2jql n LYS 100 Cb 0.48 -0.85 0.08 0.00 -0.02 0.00 0.00 35.03 34.72 2jql n LYS 100 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2jql s SER 101 N -2.87 4.78 -0.10 4.39 0.01 -0.32 -3.61 113.70 115.99 2jql s SER 101 Ca 0.23 -0.80 0.08 0.00 1.31 0.00 0.00 55.95 56.77 2jql s SER 101 Cb 0.34 0.39 -0.12 0.00 0.21 0.00 0.00 66.02 66.84 2jql s SER 101 CO -0.08 -1.59 0.02 -1.14 0.41 0.00 0.00 173.24 170.86 2jql n ARG 102 N -2.47 2.11 -0.10 12.44 0.63 -1.26 -4.74 116.66 123.27 2jql n ARG 102 Ca 0.17 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.87 2jql n ARG 102 Cb 0.62 -1.26 -0.11 0.00 0.45 0.00 0.00 32.46 32.15 2jql n ARG 102 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2jql n ASN 103 N -2.43 1.91 0.00 6.15 0.23 -1.26 -5.10 115.26 114.76 2jql n ASN 103 Ca -0.17 0.37 0.00 0.00 -0.53 0.00 0.00 54.58 54.25 2jql n ASN 103 Cb 0.82 -0.91 0.00 0.00 -2.08 0.00 0.00 39.78 37.61 2jql n ASN 103 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jql n GLY 104 N 1.47 4.59 2.98 4.83 0.00 -1.26 -5.07 105.19 112.73 2jql n GLY 104 Ca -0.37 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.64 0.80 -0.15 2.61 2.01 -1.26 -2.54 115.64 115.47 2jql s THR 105 Ca 0.00 -0.33 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 2jql s THR 105 Cb 0.00 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 2jql s THR 105 CO 0.00 0.26 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.79 2jql s PHE 106 N 0.46 3.01 -0.04 4.92 0.08 0.88 -3.99 117.98 123.30 2jql s PHE 106 Ca -0.08 -0.29 0.07 0.00 0.12 0.00 0.00 56.93 56.75 2jql s PHE 106 Cb -0.12 -1.93 -0.02 0.00 -0.57 0.00 0.00 43.02 40.39 2jql s PHE 106 CO 0.01 -0.02 -0.25 -1.50 -0.10 0.00 0.00 175.22 173.37 2jql s ILE 107 N 0.27 2.13 -1.75 0.64 1.10 -0.34 0.54 121.20 123.78 2jql s ILE 107 Ca -0.04 -1.06 0.00 0.00 -0.51 0.00 0.00 60.65 59.05 2jql s ILE 107 Cb -0.14 -1.76 0.00 0.00 0.15 0.00 0.00 42.46 40.71 2jql s ILE 107 CO 0.03 0.57 0.00 0.59 -2.11 0.00 0.00 174.94 174.03 2jql n ASN 108 N 2.72 -5.65 -0.18 4.50 5.03 0.57 -1.15 115.26 121.10 2jql n ASN 108 Ca -0.17 0.04 -0.02 0.00 0.87 0.00 0.00 54.58 55.30 2jql n ASN 108 Cb 0.52 -4.70 -0.01 0.00 -1.02 0.00 0.00 39.78 34.57 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 -0.96 0.50 3.12 7.41 0.00 -1.26 -4.99 105.19 109.01 2jql n GLY 109 Ca -0.23 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.25 1.20 0.42 1.61 0.01 -0.30 -5.13 114.94 110.50 2jql s ASN 110 Ca 0.00 -0.66 -0.26 0.00 -0.71 0.00 0.00 52.86 51.23 2jql s ASN 110 Cb 0.00 0.02 -0.08 0.00 0.41 0.00 0.00 41.25 41.59 2jql s ASN 110 CO 0.00 -0.21 1.31 -0.13 -1.51 0.00 0.00 177.10 176.56 2jql s ARG 111 N -2.07 3.90 0.08 -0.60 0.52 -1.26 -1.20 118.95 118.32 2jql s ARG 111 Ca -0.03 2.17 -0.31 0.00 -0.52 0.00 0.00 55.73 57.04 2jql s ARG 111 Cb -0.07 -2.71 -0.06 0.00 0.52 0.00 0.00 34.95 32.62 2jql s ARG 111 CO 0.00 -0.55 1.22 -0.51 0.02 0.00 0.00 175.30 175.48 2jql s LEU 112 N -2.52 4.38 -0.03 2.53 1.43 -1.26 -4.84 118.68 118.36 2jql s LEU 112 Ca 0.58 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 2jql s LEU 112 Cb -0.38 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.23 2jql s LEU 112 CO 0.49 -0.47 -0.03 1.33 0.23 0.00 0.00 176.35 177.90 2jql n VAL 113 N 3.72 0.19 -3.97 -1.59 0.24 -1.26 -5.05 118.33 110.61 2jql n VAL 113 Ca 0.08 -0.07 -0.27 0.00 -2.04 0.00 0.00 64.34 62.04 2jql n VAL 113 Cb 0.46 -0.62 -0.04 0.00 -1.47 0.00 0.00 33.84 32.17 2jql n VAL 113 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2jql s LYS 114 N -2.07 3.32 0.03 7.34 -0.14 -1.26 -5.02 119.74 121.94 2jql s LYS 114 Ca -0.05 -0.64 0.11 0.00 -1.36 0.00 0.00 55.97 54.04 2jql s LYS 114 Cb 0.01 -2.91 -0.21 0.00 -1.68 0.00 0.00 37.83 33.05 2jql s LYS 114 CO 0.08 0.52 0.90 0.87 -0.76 0.00 0.00 175.35 176.96 2jql h LYS 115 N 2.31 0.00 -2.78 1.68 1.79 -1.97 -3.39 116.57 114.21 2jql h LYS 115 Ca -0.48 0.00 -0.77 0.00 -2.18 0.00 0.00 60.65 57.23 2jql h LYS 115 Cb 1.19 0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 31.53 2jql h LYS 115 CO 0.68 0.65 0.49 -0.40 -1.08 0.00 0.00 179.45 179.79 2jql n ASP 116 N -3.14 5.86 -4.77 0.86 5.75 -1.26 -4.27 116.55 115.58 2jql n ASP 116 Ca -0.10 -3.41 -0.40 0.00 -0.01 0.00 0.00 54.79 50.87 2jql n ASP 116 Cb 0.99 -1.15 -0.06 0.00 -1.03 0.00 0.00 41.12 39.88 2jql n ASP 116 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2jql s TYR 117 N -2.70 3.88 -0.30 2.11 6.14 -1.15 -4.92 117.35 120.41 2jql s TYR 117 Ca 0.33 1.62 -0.13 0.00 0.64 0.00 0.00 57.07 59.53 2jql s TYR 117 Cb 0.07 -2.78 -0.04 0.00 0.42 0.00 0.00 41.96 39.62 2jql s TYR 117 CO 0.08 0.47 0.26 -1.50 0.64 0.00 0.00 175.55 175.51 2jql s ILE 118 N -0.96 5.25 -0.11 3.14 1.10 -1.26 -0.67 121.20 127.69 2jql s ILE 118 Ca 0.36 0.19 -0.05 0.00 -0.51 0.00 0.00 60.65 60.64 2jql s ILE 118 Cb -0.23 -3.64 -0.04 0.00 0.15 0.00 0.00 42.46 38.71 2jql s ILE 118 CO 0.26 0.14 0.08 -0.22 -2.11 0.00 0.00 174.94 173.09 2jql s LEU 119 N 1.86 4.03 0.44 8.50 0.20 0.27 -4.96 118.68 129.03 2jql s LEU 119 Ca 0.09 0.32 0.03 0.00 0.69 0.00 0.00 54.13 55.26 2jql s LEU 119 Cb -0.16 -1.96 -0.02 0.00 -0.43 0.00 0.00 46.19 43.62 2jql s LEU 119 CO 0.11 0.38 0.09 -0.54 -0.29 0.00 0.00 176.35 176.10 2jql s LYS 120 N -0.89 2.02 0.32 1.98 -0.14 -1.26 -2.84 119.74 118.93 2jql s LYS 120 Ca 0.14 -2.25 -0.29 0.00 -1.36 0.00 0.00 55.97 52.20 2jql s LYS 120 Cb -0.12 -0.92 -0.12 0.00 -1.68 0.00 0.00 37.83 34.99 2jql s LYS 120 CO 0.03 -0.44 1.46 0.27 -0.76 0.00 0.00 175.35 175.92 2jql n ASN 121 N -1.30 3.41 -1.09 2.83 6.94 -1.26 -2.91 115.26 121.89 2jql n ASN 121 Ca -0.10 1.18 -0.05 0.00 -0.02 0.00 0.00 54.58 55.60 2jql n ASN 121 Cb 0.66 -1.55 0.02 0.00 -2.36 0.00 0.00 39.78 36.54 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 1.33 0.66 3.71 4.83 0.00 -0.65 -5.02 105.19 110.05 2jql n GLY 122 Ca 0.06 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.06 5.55 -0.26 1.61 1.11 -1.14 -4.97 116.67 115.51 2jql s ASP 123 Ca 0.11 0.19 -0.07 0.00 0.18 0.00 0.00 52.55 52.96 2jql s ASP 123 Cb -0.05 -1.73 -0.02 0.00 1.07 0.00 0.00 42.92 42.19 2jql s ASP 123 CO 0.14 0.33 0.08 -0.13 1.18 0.00 0.00 175.17 176.77 2jql s ARG 124 N -0.58 3.55 -0.08 8.23 0.52 -1.26 -1.82 118.95 127.51 2jql s ARG 124 Ca 0.10 -0.55 0.02 0.00 -0.52 0.00 0.00 55.73 54.79 2jql s ARG 124 Cb -0.12 -3.36 -0.02 0.00 0.52 0.00 0.00 34.95 31.98 2jql s ARG 124 CO 0.02 -0.25 -0.15 0.42 0.02 0.00 0.00 175.30 175.36 2jql s ILE 125 N 1.60 2.91 -0.14 1.52 1.09 -0.03 -0.32 121.20 127.83 2jql s ILE 125 Ca 0.06 -0.75 0.02 0.00 -1.10 0.00 0.00 60.65 58.88 2jql s ILE 125 Cb -0.16 -2.16 0.01 0.00 -1.06 0.00 0.00 42.46 39.10 2jql s ILE 125 CO 0.04 0.56 -0.20 -0.69 -0.10 0.00 0.00 174.94 174.55 2jql s VAL 126 N -0.22 1.95 0.06 2.92 1.01 0.19 -0.29 120.40 126.01 2jql s VAL 126 Ca 0.00 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.13 2jql s VAL 126 Cb -0.13 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 2jql s VAL 126 CO 0.03 0.53 -0.03 -0.36 0.00 0.00 0.00 175.10 175.27 2jql s PHE 127 N 0.96 2.94 0.00 5.22 0.40 0.35 -0.08 117.98 127.77 2jql s PHE 127 Ca -0.04 -0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.26 2jql s PHE 127 Cb -0.15 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 41.82 2jql s PHE 127 CO -0.04 0.44 0.00 0.41 0.70 0.00 0.00 175.22 176.73 2jql n GLY 128 N 0.94 0.81 0.00 4.36 0.00 -1.05 -2.39 105.19 107.86 2jql n GLY 128 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2jql n GLY 128 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jql n LYS 129 N 0.00 0.00 -0.08 1.61 2.85 -1.26 -4.71 118.16 116.57 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 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 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 1.86 -4.57 -5.58 3.41 -1.23 -4.93 113.62 102.58 2jql n SER 130 Ca 0.00 -0.03 -0.43 0.00 -0.26 0.00 0.00 58.87 58.14 2jql n SER 130 Cb 0.00 0.45 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 2jql n SER 130 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jql s SER 132 N 8.74 2.47 0.04 0.00 1.04 -1.25 0.13 113.70 124.88 2jql s SER 132 Ca 1.03 -0.42 -0.03 0.00 0.48 0.00 0.00 55.95 57.01 2jql s SER 132 Cb -0.41 -0.26 -0.02 0.00 0.10 0.00 0.00 66.02 65.43 2jql s SER 132 CO 0.36 0.23 0.04 -0.36 0.98 0.00 0.00 173.24 174.49 2jql s PHE 133 N -0.57 0.32 -0.18 5.02 0.40 0.61 0.48 117.98 124.05 2jql s PHE 133 Ca 0.08 -0.71 0.00 0.00 -0.60 0.00 0.00 56.93 55.71 2jql s PHE 133 Cb -0.08 -0.23 0.04 0.00 0.51 0.00 0.00 43.02 43.26 2jql s PHE 133 CO -0.00 -0.35 -0.09 -1.17 0.70 0.00 0.00 175.22 174.31 2jql s LEU 134 N -2.32 2.01 0.06 -0.37 0.20 0.65 -0.85 118.68 118.05 2jql s LEU 134 Ca -0.02 -0.79 -0.15 0.00 0.69 0.00 0.00 54.13 53.86 2jql s LEU 134 Cb 0.01 -1.11 -0.06 0.00 -0.43 0.00 0.00 46.19 44.60 2jql s LEU 134 CO -0.06 -0.16 0.46 0.12 -0.29 0.00 0.00 176.35 176.43 2jql s PHE 135 N 1.49 3.70 0.05 5.38 5.36 -0.76 -2.03 117.98 131.16 2jql s PHE 135 Ca -0.00 1.03 -0.19 0.00 -0.96 0.00 0.00 56.93 56.80 2jql s PHE 135 Cb -0.16 -2.32 0.04 0.00 -0.34 0.00 0.00 43.02 40.24 2jql s PHE 135 CO -0.08 0.57 0.45 0.21 -1.46 0.00 0.00 175.22 174.91 2jql s LYS 136 N -1.39 0.96 0.12 10.12 2.47 -1.17 -1.63 119.74 129.22 2jql s LYS 136 Ca 0.29 -0.32 -0.23 0.00 -1.56 0.00 0.00 55.97 54.14 2jql s LYS 136 Cb -0.16 0.43 -0.07 0.00 -1.46 0.00 0.00 37.83 36.56 2jql s LYS 136 CO 0.16 -0.33 0.70 0.71 0.16 0.00 0.00 175.35 176.75 2jql s TYR 137 N -2.47 3.86 -0.07 4.03 2.02 -1.26 -1.40 117.35 122.07 2jql s TYR 137 Ca -0.05 1.49 0.13 0.00 -0.37 0.00 0.00 57.07 58.27 2jql s TYR 137 Cb -0.01 -2.67 -0.23 0.00 -0.40 0.00 0.00 41.96 38.64 2jql s TYR 137 CO -0.02 0.53 0.57 0.00 -1.57 0.00 0.00 175.55 175.06 2jql n ALA 138 N 1.72 1.48 0.14 3.71 0.00 -1.01 -4.07 120.51 122.48 2jql n ALA 138 Ca -0.07 -0.84 0.02 0.00 0.00 0.00 0.00 53.44 52.54 2jql n ALA 138 Cb 0.49 -0.76 0.35 0.00 0.00 0.00 0.00 19.45 19.54 2jql n ALA 138 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2jql h SER 139 N 0.00 0.14 -3.47 0.00 0.02 -1.91 -3.40 113.55 104.94 2jql h SER 139 Ca -0.32 -0.04 -0.66 0.00 -0.84 0.00 0.00 61.79 59.92 2jql h SER 139 Cb 2.05 -0.04 -0.27 0.00 0.14 0.00 0.00 62.40 64.27 2jql h SER 139 CO 0.07 0.42 -0.70 -0.55 -1.14 0.00 0.00 176.83 174.93 2jql s SER 140 N -6.91 4.51 0.09 3.07 0.15 -1.26 -4.93 113.70 108.43 2jql s SER 140 Ca -0.04 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.14 2jql s SER 140 Cb 0.15 -1.77 0.00 0.00 -1.71 0.00 0.00 66.02 62.69 2jql s SER 140 CO 0.74 -0.06 0.00 -1.20 1.20 0.00 0.00 173.24 173.92 2jql n SER 141 N 4.81 0.26 -3.01 5.45 7.64 -1.26 -4.69 113.62 122.81 2jql n SER 141 Ca -0.17 0.15 -0.14 0.00 1.01 0.00 0.00 58.87 59.72 2jql n SER 141 Cb 0.50 0.01 0.09 0.00 -1.01 0.00 0.00 64.21 63.80 2jql n SER 141 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jql n SER 142 N -3.13 0.19 0.00 6.43 7.64 -1.26 -5.02 113.62 118.47 2jql n SER 142 Ca 0.00 -1.31 0.00 0.00 1.01 0.00 0.00 58.87 58.57 2jql n SER 142 Cb 0.14 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 2jql n SER 142 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2jql n THR 143 N -2.72 0.00 0.00 0.44 5.66 -1.26 -5.03 114.28 111.37 2jql n THR 143 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 2jql n THR 143 Cb 0.29 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.07 2jql n THR 143 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2jql n ASP 144 N -1.74 0.00 -1.98 1.09 -0.08 -1.26 -4.95 116.55 107.62 2jql n ASP 144 Ca 0.00 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.19 2jql n ASP 144 Cb 0.00 0.00 0.27 0.00 2.34 0.00 0.00 41.12 43.73 2jql n ASP 144 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2jql n ILE 145 N -0.39 2.83 -2.32 5.18 2.08 -1.26 -4.92 119.36 120.56 2jql n ILE 145 Ca 0.00 -1.56 -0.43 0.00 0.56 0.00 0.00 62.75 61.33 2jql n ILE 145 Cb 0.00 -0.41 -0.02 0.00 -0.75 0.00 0.00 39.64 38.46 2jql n ILE 145 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2jql s GLU 146 N -2.87 3.49 -1.26 0.38 -1.05 -1.26 -4.93 118.70 111.20 2jql s GLU 146 Ca 0.52 0.89 -0.12 0.00 -0.15 0.00 0.00 54.97 56.11 2jql s GLU 146 Cb 0.42 -4.06 0.16 0.00 -0.44 0.00 0.00 34.13 30.20 2jql s GLU 146 CO 0.12 -1.68 1.69 0.09 0.95 0.00 0.00 175.26 176.43 2jql n ASN 147 N 9.17 5.08 -3.65 0.83 4.13 -1.26 -4.86 115.26 124.70 2jql n ASN 147 Ca 0.17 -3.03 -0.02 0.00 1.68 0.00 0.00 54.58 53.38 2jql n ASN 147 Cb 0.48 -1.55 -0.07 0.00 -1.54 0.00 0.00 39.78 37.11 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 2.06 -0.21 -0.04 6.41 -1.08 -1.26 -5.18 116.67 117.36 2jql s ASP 148 Ca 0.42 0.37 -0.11 0.00 -0.52 0.00 0.00 52.55 52.71 2jql s ASP 148 Cb 0.04 0.81 0.02 0.00 -1.46 0.00 0.00 42.92 42.33 2jql s ASP 148 CO 0.00 -0.06 0.25 1.51 0.52 0.00 0.00 175.17 177.40 2jql s ASP 149 N 0.75 -0.17 -0.29 -0.34 -4.77 -1.26 -5.16 116.67 105.42 2jql s ASP 149 Ca -0.03 0.19 -0.14 0.00 -3.30 0.00 0.00 52.55 49.28 2jql s ASP 149 Cb -0.04 0.38 0.13 0.00 -1.09 0.00 0.00 42.92 42.30 2jql s ASP 149 CO -0.12 -0.29 0.78 -0.70 0.70 0.00 0.00 175.17 175.54 2jql s GLU 150 N -0.78 0.52 -0.23 2.11 2.12 -1.26 -5.07 118.70 116.11 2jql s GLU 150 Ca -0.09 1.12 -0.08 0.00 0.36 0.00 0.00 54.97 56.29 2jql s GLU 150 Cb -0.05 0.46 0.03 0.00 0.26 0.00 0.00 34.13 34.84 2jql s GLU 150 CO 0.02 -0.15 0.15 1.63 -0.54 0.00 0.00 175.26 176.38 2jql n LYS 151 N 4.77 -4.08 -0.05 4.30 4.76 -1.26 -5.02 118.16 121.58 2jql n LYS 151 Ca -0.15 3.14 -0.04 0.00 -2.87 0.00 0.00 58.31 58.40 2jql n LYS 151 Cb 0.54 -5.09 -0.01 0.00 -1.84 0.00 0.00 35.03 28.62 2jql n LYS 151 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2jql n VAL 152 N 1.28 1.06 -4.91 -0.18 0.31 -1.26 -4.97 118.33 109.66 2jql n VAL 152 Ca -0.26 0.28 -0.27 0.00 -0.01 0.00 0.00 64.34 64.08 2jql n VAL 152 Cb 0.40 -2.16 -0.16 0.00 -0.91 0.00 0.00 33.84 31.01 2jql n VAL 152 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2jql s SER 153 N -5.21 2.35 -0.20 4.52 1.04 -1.26 -5.03 113.70 109.92 2jql s SER 153 Ca -0.13 -0.39 -0.03 0.00 0.48 0.00 0.00 55.95 55.88 2jql s SER 153 Cb 0.02 -0.75 -0.11 0.00 0.10 0.00 0.00 66.02 65.28 2jql s SER 153 CO 0.19 0.15 -0.20 -0.24 0.98 0.00 0.00 173.24 174.12 2jql n SER 154 N 3.24 2.14 -2.56 7.02 2.88 -1.26 -5.08 113.62 120.01 2jql n SER 154 Ca -0.19 0.02 -0.13 0.00 -1.33 0.00 0.00 58.87 57.24 2jql n SER 154 Cb 0.53 -0.41 -0.05 0.00 -0.75 0.00 0.00 64.21 63.53 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 -3.36 0.36 -2.28 -1.46 0.28 -1.26 -5.17 120.64 107.75 2jql n GLU 155 Ca -0.36 -2.14 -0.26 0.00 -0.16 0.00 0.00 57.16 54.23 2jql n GLU 155 Cb 0.84 1.61 0.14 0.00 1.43 0.00 0.00 31.44 35.46 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 -2.51 3.81 -0.39 -1.84 0.01 -1.26 -5.08 113.70 106.43 2jql s SER 156 Ca 0.23 -0.06 0.03 0.00 1.31 0.00 0.00 55.95 57.45 2jql s SER 156 Cb 0.01 -0.18 0.16 0.00 0.21 0.00 0.00 66.02 66.22 2jql s SER 156 CO 0.16 -2.25 0.32 -0.60 0.41 0.00 0.00 173.24 171.29 2jql s ARG 157 N -5.48 0.76 0.15 12.44 6.06 -1.26 -5.12 118.95 126.50 2jql s ARG 157 Ca 0.70 -1.63 -0.24 0.00 -2.50 0.00 0.00 55.73 52.06 2jql s ARG 157 Cb -0.05 -1.20 0.07 0.00 0.06 0.00 0.00 34.95 33.83 2jql s ARG 157 CO 0.48 -1.30 1.02 0.45 -2.50 0.00 0.00 175.30 173.45 2jql s SER 158 N 0.62 -0.09 0.00 -2.12 0.15 -1.26 -5.33 113.70 105.67 2jql s SER 158 Ca 0.26 -0.50 0.26 0.00 0.70 0.00 0.00 55.95 56.67 2jql s SER 158 Cb -0.08 0.47 0.72 0.00 -1.71 0.00 0.00 66.02 65.42 2jql s SER 158 CO -0.10 -0.90 1.56 0.00 1.20 0.00 0.00 173.24 175.01