#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jql h ARG 20 N 0.00 0.06 -7.20 1.97 2.43 -2.09 -3.47 114.38 106.08 2jql h ARG 20 Ca 0.00 -0.10 -0.53 0.00 -0.81 0.00 0.00 59.98 58.54 2jql h ARG 20 Cb 0.00 0.04 0.17 0.00 -0.42 0.00 0.00 29.97 29.76 2jql h ARG 20 CO 0.00 0.82 0.35 -0.65 -1.51 0.00 0.00 179.97 178.98 2jql s GLN 21 N -2.64 1.83 0.00 0.20 -0.21 -1.26 -4.96 119.66 112.62 2jql s GLN 21 Ca -0.04 1.72 0.00 0.00 0.02 0.00 0.00 55.36 57.06 2jql s GLN 21 Cb 0.08 -1.80 0.00 0.00 1.00 0.00 0.00 33.01 32.29 2jql s GLN 21 CO 0.83 -2.06 0.00 0.00 -2.12 0.00 0.00 175.29 171.94 2jql n GLN 22 N -3.12 0.00 -0.34 2.91 -0.00 -1.26 -5.12 117.38 110.45 2jql n GLN 22 Ca 0.13 0.00 -0.07 0.00 -0.00 0.00 0.00 57.00 57.06 2jql n GLN 22 Cb 0.51 -0.20 0.06 0.00 -0.00 0.00 0.00 30.24 30.60 2jql n GLN 22 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2jql n ARG 23 N -2.18 -1.09 -2.61 2.61 0.63 -1.26 -4.83 116.66 107.93 2jql n ARG 23 Ca 0.00 -0.47 -0.06 0.00 -0.92 0.00 0.00 57.85 56.41 2jql n ARG 23 Cb 0.03 -0.39 -0.05 0.00 0.45 0.00 0.00 32.46 32.51 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 -3.37 -0.73 0.00 6.15 7.64 -1.26 -5.03 113.62 117.01 2jql n SER 24 Ca 0.04 1.36 0.00 0.00 1.01 0.00 0.00 58.87 61.28 2jql n SER 24 Cb 0.15 -5.29 0.00 0.00 -1.01 0.00 0.00 64.21 58.06 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 1.67 0.23 0.16 6.43 4.13 -1.26 -5.06 115.26 121.56 2jql n ASN 25 Ca -0.41 0.00 0.00 0.00 1.68 0.00 0.00 54.58 55.85 2jql n ASN 25 Cb 0.63 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.87 2jql n ASN 25 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2jql n LYS 26 N -2.17 0.00 -1.05 3.52 4.76 -1.26 -5.12 118.16 116.84 2jql n LYS 26 Ca 0.00 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 2jql n LYS 26 Cb 0.07 0.00 0.12 0.00 -1.84 0.00 0.00 35.03 33.38 2jql n LYS 26 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2jql n PRO 27 N -3.50 0.08 -1.34 1.97 -0.02 -1.26 -4.98 135.00 125.95 2jql n PRO 27 Ca 0.00 0.10 -0.30 0.00 -2.02 0.00 0.00 63.50 61.28 2jql n PRO 27 Cb 0.00 -2.28 0.11 0.00 -0.02 0.00 0.00 33.50 31.31 2jql n PRO 27 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2jql s SER 28 N -2.06 4.11 -0.10 2.55 0.15 -1.26 -4.92 113.70 112.17 2jql s SER 28 Ca 0.70 1.52 -0.25 0.00 0.70 0.00 0.00 55.95 58.61 2jql s SER 28 Cb -0.28 -2.23 -0.21 0.00 -1.71 0.00 0.00 66.02 61.58 2jql s SER 28 CO 0.54 -2.24 0.81 -1.28 1.20 0.00 0.00 173.24 172.28 2jql h SER 29 N -1.27 -0.02 -5.14 5.45 0.87 -2.04 -3.48 113.55 107.91 2jql h SER 29 Ca -0.47 -0.74 -0.07 0.00 -1.23 0.00 0.00 61.79 59.28 2jql h SER 29 Cb 1.26 0.01 -0.13 0.00 -0.44 0.00 0.00 62.40 63.10 2jql h SER 29 CO 0.55 0.78 -0.23 -1.61 -0.53 0.00 0.00 176.83 175.79 2jql s GLU 30 N -2.69 0.99 0.00 2.24 2.02 -1.26 -5.14 118.70 114.85 2jql s GLU 30 Ca -0.16 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 53.94 2jql s GLU 30 Cb -0.01 0.40 0.00 0.00 0.10 0.00 0.00 34.13 34.62 2jql s GLU 30 CO 0.60 -0.36 0.00 0.66 0.02 0.00 0.00 175.26 176.19 2jql n TYR 31 N -0.15 0.00 -3.83 1.61 4.02 -1.26 -4.99 117.16 112.56 2jql n TYR 31 Ca -0.14 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.62 2jql n TYR 31 Cb 0.63 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.80 2jql n TYR 31 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jql s THR 32 N 0.00 -0.02 0.51 -0.72 2.01 -1.26 -5.03 115.64 111.12 2jql s THR 32 Ca 0.00 0.08 -0.23 0.00 0.31 0.00 0.00 61.69 61.85 2jql s THR 32 Cb 0.00 -0.05 -0.06 0.00 0.01 0.00 0.00 72.50 72.40 2jql s THR 32 CO 0.00 0.03 1.39 0.00 -0.69 0.00 0.00 174.62 175.36 2jql n LEU 34 N -0.65 0.00 0.00 0.00 7.94 -1.09 -4.85 117.00 118.36 2jql n LEU 34 Ca 0.08 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.93 2jql n LEU 34 Cb 0.43 0.13 -0.01 0.00 0.53 0.00 0.00 43.42 44.50 2jql n LEU 34 CO 0.56 -0.35 0.07 0.61 -1.11 0.00 0.00 177.39 177.17 2jql n GLY 35 N 0.37 2.69 3.27 -3.96 0.00 -1.15 -0.58 105.19 105.83 2jql n GLY 35 Ca 0.00 -1.43 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 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 -4.52 0.30 -0.22 1.61 3.76 -0.75 -1.31 115.29 114.16 2jql s HIS 36 Ca 0.10 -0.69 0.00 0.00 -0.15 0.00 0.00 55.06 54.31 2jql s HIS 36 Cb -0.00 -0.07 0.06 0.00 1.11 0.00 0.00 32.58 33.67 2jql s HIS 36 CO 0.07 -0.63 -0.04 -0.51 -0.85 0.00 0.00 174.74 172.77 2jql s LEU 37 N -2.92 2.31 -0.25 0.89 1.43 0.05 -3.00 118.68 117.19 2jql s LEU 37 Ca 0.12 -1.08 -0.14 0.00 -1.03 0.00 0.00 54.13 51.99 2jql s LEU 37 Cb 0.04 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 2jql s LEU 37 CO -0.05 -0.24 0.33 -0.69 0.23 0.00 0.00 176.35 175.94 2jql s VAL 38 N 1.47 5.22 -0.34 -1.59 1.01 -0.51 -1.31 120.40 124.35 2jql s VAL 38 Ca -0.05 0.51 -0.21 0.00 0.00 0.00 0.00 61.98 62.24 2jql s VAL 38 Cb -0.18 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 2jql s VAL 38 CO -0.07 0.21 0.66 0.20 0.00 0.00 0.00 175.10 176.10 2jql s ASN 39 N 1.44 6.47 -0.48 3.32 -0.87 0.15 -0.09 114.94 124.88 2jql s ASN 39 Ca 0.14 0.27 -0.19 0.00 -1.57 0.00 0.00 52.86 51.52 2jql s ASN 39 Cb -0.15 -2.34 0.05 0.00 -0.02 0.00 0.00 41.25 38.79 2jql s ASN 39 CO 0.09 -0.58 0.57 -0.76 -2.57 0.00 0.00 177.10 173.85 2jql s LEU 40 N 2.73 4.96 -0.02 0.60 1.02 0.56 -2.86 118.68 125.67 2jql s LEU 40 Ca 0.26 -0.84 0.06 0.00 0.02 0.00 0.00 54.13 53.63 2jql s LEU 40 Cb -0.14 -2.44 -0.01 0.00 0.02 0.00 0.00 46.19 43.61 2jql s LEU 40 CO 0.14 -0.80 -0.20 -0.63 0.02 0.00 0.00 176.35 174.88 2jql s ILE 41 N 2.46 1.62 -0.86 -0.59 1.01 -1.26 -4.50 121.20 119.09 2jql s ILE 41 Ca 0.14 -0.87 -0.20 0.00 0.00 0.00 0.00 60.65 59.72 2jql s ILE 41 Cb -0.19 -1.36 -0.21 0.00 0.01 0.00 0.00 42.46 40.72 2jql s ILE 41 CO 0.13 0.46 2.30 -2.65 0.00 0.00 0.00 174.94 175.17 2jql n PRO 42 N 2.66 0.35 -0.46 2.79 -0.02 -1.26 -1.64 135.00 137.42 2jql n PRO 42 Ca -0.16 -0.57 0.00 0.00 -2.02 0.00 0.00 63.50 60.75 2jql n PRO 42 Cb 0.53 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 2jql n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jql n GLY 43 N 6.32 0.57 0.00 -1.23 0.00 -1.26 -5.10 105.19 104.48 2jql n GLY 43 Ca 0.53 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2jql n GLY 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jql n LYS 44 N -0.26 -2.61 -3.65 1.61 5.02 -0.65 -5.18 118.16 112.45 2jql n LYS 44 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 2jql n LYS 44 Cb 0.12 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.06 2jql n LYS 44 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2jql s GLU 45 N -1.52 0.16 -0.03 1.97 2.12 -1.26 -4.10 118.70 116.04 2jql s GLU 45 Ca 0.00 0.22 -0.00 0.00 0.36 0.00 0.00 54.97 55.55 2jql s GLU 45 Cb 0.00 0.06 0.03 0.00 0.26 0.00 0.00 34.13 34.48 2jql s GLU 45 CO 0.00 -0.02 0.03 -1.14 -0.54 0.00 0.00 175.26 173.59 2jql s GLN 46 N 0.45 0.00 -0.15 4.30 2.00 -1.13 -4.97 119.66 120.16 2jql s GLN 46 Ca 0.01 0.21 -0.01 0.00 -2.00 0.00 0.00 55.36 53.57 2jql s GLN 46 Cb -0.04 -0.34 -0.01 0.00 0.80 0.00 0.00 33.01 33.41 2jql s GLN 46 CO -0.13 -0.20 -0.10 0.21 -0.50 0.00 0.00 175.29 174.58 2jql s LYS 47 N 1.30 3.42 0.14 1.67 2.20 -1.26 0.32 119.74 127.53 2jql s LYS 47 Ca -0.06 -0.65 0.11 0.00 -0.36 0.00 0.00 55.97 55.01 2jql s LYS 47 Cb -0.13 -2.75 -0.04 0.00 -1.51 0.00 0.00 37.83 33.40 2jql s LYS 47 CO -0.03 0.12 -0.26 0.08 -0.36 0.00 0.00 175.35 174.90 2jql s VAL 48 N 0.60 2.27 -0.16 4.02 1.01 -0.43 -4.95 120.40 122.77 2jql s VAL 48 Ca -0.06 -1.82 -0.08 0.00 0.00 0.00 0.00 61.98 60.02 2jql s VAL 48 Cb -0.15 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2jql s VAL 48 CO 0.03 0.04 0.10 -0.70 0.00 0.00 0.00 175.10 174.57 2jql s GLU 49 N -2.21 3.76 -0.10 2.72 -6.30 -1.26 -0.77 118.70 114.54 2jql s GLU 49 Ca 0.15 -0.24 0.02 0.00 -2.50 0.00 0.00 54.97 52.41 2jql s GLU 49 Cb -0.09 -3.23 -0.01 0.00 0.00 0.00 0.00 34.13 30.79 2jql s GLU 49 CO 0.07 0.50 -0.17 -1.50 0.02 0.00 0.00 175.26 174.18 2jql s ILE 50 N -0.25 2.72 0.37 -3.70 2.07 -0.42 -4.95 121.20 117.04 2jql s ILE 50 Ca 0.10 -0.80 0.05 0.00 -1.41 0.00 0.00 60.65 58.59 2jql s ILE 50 Cb -0.12 -2.10 -0.01 0.00 0.13 0.00 0.00 42.46 40.37 2jql s ILE 50 CO 0.01 0.55 0.53 0.42 -1.91 0.00 0.00 174.94 174.53 2jql s THR 51 N 0.13 4.02 -1.37 4.00 -4.23 -1.26 -2.66 115.64 114.28 2jql s THR 51 Ca -0.09 -0.87 -0.12 0.00 -1.18 0.00 0.00 61.69 59.43 2jql s THR 51 Cb -0.15 -3.42 -0.05 0.00 1.34 0.00 0.00 72.50 70.22 2jql s THR 51 CO 0.05 -0.19 2.47 -0.46 -0.54 0.00 0.00 174.62 175.95 2jql n ASN 52 N -1.76 5.79 -0.10 3.99 0.23 -1.14 -4.58 115.26 117.69 2jql n ASN 52 Ca 0.00 -2.64 0.12 0.00 -0.53 0.00 0.00 54.58 51.53 2jql n ASN 52 Cb 0.58 -1.47 0.66 0.00 -2.08 0.00 0.00 39.78 37.46 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 4.94 1.14 0.00 -3.83 0.63 -1.26 -4.88 116.66 113.40 2jql n ARG 53 Ca 0.61 -0.20 0.00 0.00 -0.92 0.00 0.00 57.85 57.34 2jql n ARG 53 Cb 0.29 -1.38 0.00 0.00 0.45 0.00 0.00 32.46 31.82 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 -0.65 0.00 -3.90 6.15 4.13 -0.82 -4.77 115.26 115.39 2jql n ASN 54 Ca 0.18 0.00 -0.15 0.00 1.68 0.00 0.00 54.58 56.28 2jql n ASN 54 Cb 0.13 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.22 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 0.27 -0.08 2.41 1.01 -1.26 -1.54 120.40 121.20 2jql s VAL 55 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.91 2jql s VAL 55 Cb 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 36.13 2jql s VAL 55 CO 0.00 0.10 -0.17 -0.89 0.00 0.00 0.00 175.10 174.14 2jql s THR 56 N 0.21 1.51 -0.09 3.92 2.01 0.51 -4.88 115.64 118.82 2jql s THR 56 Ca -0.02 -0.70 -0.04 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 -0.00 0.44 0.07 0.42 -0.69 0.00 0.00 174.62 174.85 2jql s THR 57 N 0.53 4.84 -0.05 -0.82 -4.23 -1.26 0.26 115.64 114.91 2jql s THR 57 Ca -0.16 -0.09 0.02 0.00 -1.18 0.00 0.00 61.69 60.28 2jql s THR 57 Cb -0.17 -3.09 0.02 0.00 1.34 0.00 0.00 72.50 70.60 2jql s THR 57 CO 0.06 0.58 -0.07 -0.63 -0.54 0.00 0.00 174.62 174.01 2jql s ILE 58 N -0.98 0.75 0.00 2.99 1.09 -0.43 0.19 121.20 124.81 2jql s ILE 58 Ca 0.15 -0.26 0.00 0.00 -1.10 0.00 0.00 60.65 59.44 2jql s ILE 58 Cb -0.12 -0.72 0.00 0.00 -1.06 0.00 0.00 42.46 40.56 2jql s ILE 58 CO 0.05 0.27 0.00 0.61 -0.10 0.00 0.00 174.94 175.76 2jql n GLY 59 N 3.87 -0.43 0.39 6.18 0.00 -0.97 -2.62 105.19 111.61 2jql n GLY 59 Ca -0.24 0.27 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.01 -1.29 1.61 0.63 -1.14 -2.92 116.66 113.56 2jql n ARG 60 Ca 0.00 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.55 2jql n ARG 60 Cb 0.00 -0.81 0.02 0.00 0.45 0.00 0.00 32.46 32.11 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 -2.71 -3.18 0.10 6.15 2.88 -1.26 -4.88 113.62 110.72 2jql n SER 61 Ca -0.01 0.66 -0.05 0.00 -1.33 0.00 0.00 58.87 58.14 2jql n SER 61 Cb 0.51 -0.91 0.02 0.00 -0.75 0.00 0.00 64.21 63.07 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 0.02 0.05 0.00 -1.46 9.65 -1.97 -3.07 114.38 117.59 2jql h ARG 62 Ca -0.42 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.40 2jql h ARG 62 Cb 1.44 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 30.03 2jql h ARG 62 CO 0.42 0.84 -0.03 0.77 2.80 0.00 0.00 179.97 184.77 2jql h SER 63 N 0.03 0.00 -4.01 -3.80 0.02 -2.00 -3.45 113.55 100.34 2jql h SER 63 Ca -0.02 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.40 2jql h SER 63 Cb 1.44 0.00 0.20 0.00 0.14 0.00 0.00 62.40 64.17 2jql h SER 63 CO 0.11 0.03 0.06 0.00 -1.14 0.00 0.00 176.83 175.89 2jql h ASP 65 N -1.45 -0.31 -3.70 0.00 5.19 0.17 -3.46 116.42 112.87 2jql h ASP 65 Ca -0.44 -0.13 -0.60 0.00 -0.62 0.00 0.00 57.03 55.24 2jql h ASP 65 Cb 1.29 0.08 -0.32 0.00 0.18 0.00 0.00 39.33 40.55 2jql h ASP 65 CO 0.41 0.18 -0.85 -0.69 -3.12 0.00 0.00 179.24 175.18 2jql s VAL 66 N -3.15 1.60 -0.21 -1.35 1.01 0.11 -4.94 120.40 113.47 2jql s VAL 66 Ca -0.09 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 2jql s VAL 66 Cb 0.01 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 2jql s VAL 66 CO 0.30 0.46 0.16 0.27 0.00 0.00 0.00 175.10 176.29 2jql s ILE 67 N 0.20 5.38 0.00 2.22 -4.36 -1.26 -2.28 121.20 121.10 2jql s ILE 67 Ca -0.09 0.22 0.00 0.00 -0.26 0.00 0.00 60.65 60.51 2jql s ILE 67 Cb -0.14 -3.49 0.00 0.00 1.25 0.00 0.00 42.46 40.07 2jql s ILE 67 CO 0.04 0.40 0.00 0.18 0.24 0.00 0.00 174.94 175.80 2jql n LEU 68 N 3.81 1.89 0.00 0.37 4.77 -1.15 -4.95 117.00 121.73 2jql n LEU 68 Ca -0.15 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2jql n LEU 68 Cb 0.52 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2jql n LEU 68 CO 0.37 -0.03 0.00 -0.24 -1.33 0.00 0.00 177.39 176.16 2jql n SER 69 N -0.91 0.00 0.00 -1.43 2.88 -1.26 -5.08 113.62 107.82 2jql n SER 69 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 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 0.00 0.00 -0.17 -1.46 -0.58 -1.26 -4.97 120.64 112.20 2jql n GLU 70 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 2jql n GLU 70 Cb 0.00 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 30.88 2jql n GLU 70 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2jql h PRO 71 N 0.00 1.01 -0.36 3.49 0.13 -1.99 -3.28 132.00 131.00 2jql h PRO 71 Ca 0.00 -0.40 -0.25 0.00 -0.87 0.00 0.00 66.00 64.48 2jql h PRO 71 Cb 0.00 -0.05 -0.19 0.00 0.13 0.00 0.00 31.00 30.89 2jql h PRO 71 CO 0.00 1.08 -0.57 -0.25 -0.23 0.00 0.00 178.00 178.04 2jql n ASP 72 N -4.14 3.22 -4.41 1.44 8.00 -1.26 -5.01 116.55 114.39 2jql n ASP 72 Ca 0.01 -3.83 -0.34 0.00 0.71 0.00 0.00 54.79 51.33 2jql n ASP 72 Cb 0.42 -0.47 -0.13 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 -3.83 3.55 0.24 0.53 1.10 -1.24 -5.01 121.20 116.54 2jql s ILE 73 Ca 0.44 -0.46 -0.31 0.00 -0.51 0.00 0.00 60.65 59.81 2jql s ILE 73 Cb 0.39 -2.57 -0.12 0.00 0.15 0.00 0.00 42.46 40.31 2jql s ILE 73 CO -0.02 0.47 1.64 -1.20 -2.11 0.00 0.00 174.94 173.72 2jql n SER 74 N 4.01 3.79 0.14 4.50 7.64 -1.26 -4.21 113.62 128.23 2jql n SER 74 Ca -0.18 1.10 0.02 0.00 1.01 0.00 0.00 58.87 60.82 2jql n SER 74 Cb 0.52 -1.56 0.36 0.00 -1.01 0.00 0.00 64.21 62.52 2jql n SER 74 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2jql h THR 75 N 3.55 1.22 -0.27 0.44 2.02 -1.90 -2.66 112.91 115.32 2jql h THR 75 Ca -0.45 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 65.70 2jql h THR 75 Cb 1.22 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 2jql h THR 75 CO 0.87 0.31 0.00 0.49 0.37 0.00 0.00 175.52 177.56 2jql n PHE 76 N -4.19 0.57 0.00 3.16 3.01 -1.26 -4.15 117.46 114.60 2jql n PHE 76 Ca -0.01 -0.65 0.00 0.00 1.01 0.00 0.00 57.45 57.80 2jql n PHE 76 Cb 0.34 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 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 0.00 0.00 -3.73 1.38 -0.00 -1.01 -4.52 115.22 107.34 2jql n HIS 77 Ca 0.14 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.22 2jql n HIS 77 Cb 0.58 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.41 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 -2.53 -0.92 -0.02 1.57 0.00 -1.08 -3.36 121.76 115.44 2jql s ALA 78 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.78 2jql s ALA 78 Cb 0.00 0.84 -0.00 0.00 0.00 0.00 0.00 23.12 23.96 2jql s ALA 78 CO 0.00 -0.78 -0.10 -1.83 0.00 0.00 0.00 175.76 173.05 2jql s GLU 79 N -3.87 0.95 -0.11 0.00 -1.05 -0.65 -1.31 118.70 112.67 2jql s GLU 79 Ca 0.09 -0.35 0.03 0.00 -0.15 0.00 0.00 54.97 54.59 2jql s GLU 79 Cb -0.01 -0.89 0.00 0.00 -0.44 0.00 0.00 34.13 32.79 2jql s GLU 79 CO -0.04 0.17 -0.22 -0.06 0.95 0.00 0.00 175.26 176.05 2jql s PHE 80 N -0.00 2.61 -0.33 4.83 0.08 0.14 -2.26 117.98 123.04 2jql s PHE 80 Ca -0.00 -1.06 -0.17 0.00 0.12 0.00 0.00 56.93 55.82 2jql s PHE 80 Cb -0.07 -1.74 -0.01 0.00 -0.57 0.00 0.00 43.02 40.63 2jql s PHE 80 CO 0.00 -0.44 0.45 -1.01 -0.10 0.00 0.00 175.22 174.12 2jql s HIS 81 N 0.43 3.20 -0.36 0.36 3.76 -1.04 0.19 115.29 121.83 2jql s HIS 81 Ca -0.16 0.17 -0.09 0.00 -0.15 0.00 0.00 55.06 54.84 2jql s HIS 81 Cb -0.17 -2.78 0.04 0.00 1.11 0.00 0.00 32.58 30.77 2jql s HIS 81 CO 0.07 -0.45 0.17 -1.17 -0.85 0.00 0.00 174.74 172.51 2jql s LEU 82 N 2.22 4.58 -0.02 0.89 2.96 -0.59 -2.58 118.68 126.15 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 -0.24 -0.22 -1.32 0.00 0.00 176.35 174.32 2jql s LEU 83 N 1.48 2.05 -0.12 -0.68 0.20 -1.18 -1.95 118.68 118.49 2jql s LEU 83 Ca 0.00 -0.44 0.00 0.00 0.69 0.00 0.00 54.13 54.38 2jql s LEU 83 Cb -0.20 -1.24 0.02 0.00 -0.43 0.00 0.00 46.19 44.34 2jql s LEU 83 CO 0.05 0.30 -0.10 -1.58 -0.29 0.00 0.00 176.35 174.72 2jql s GLN 84 N -0.58 1.78 0.01 1.98 -0.44 -1.26 -3.02 119.66 118.12 2jql s GLN 84 Ca 0.09 -0.36 0.02 0.00 -2.50 0.00 0.00 55.36 52.62 2jql s GLN 84 Cb -0.09 -1.73 -0.01 0.00 -1.64 0.00 0.00 33.01 29.54 2jql s GLN 84 CO -0.01 -0.23 -0.08 -1.64 0.50 0.00 0.00 175.29 173.84 2jql s MET 85 N 1.54 0.59 -0.33 1.67 -1.94 -1.11 -5.01 119.30 114.72 2jql s MET 85 Ca 0.03 -0.37 -0.13 0.00 -1.71 0.00 0.00 55.69 53.51 2jql s MET 85 Cb -0.13 -0.54 -0.02 0.00 2.01 0.00 0.00 34.83 36.15 2jql s MET 85 CO -0.08 0.14 0.25 0.16 -0.01 0.00 0.00 175.02 175.48 2jql s ASP 86 N -0.46 6.07 -0.22 3.03 -4.77 -1.26 -1.28 116.67 117.77 2jql s ASP 86 Ca 0.01 -0.35 -0.03 0.00 -3.30 0.00 0.00 52.55 48.88 2jql s ASP 86 Cb -0.04 -2.14 -0.00 0.00 -1.09 0.00 0.00 42.92 39.64 2jql s ASP 86 CO -0.00 -0.22 -0.06 0.68 0.70 0.00 0.00 175.17 176.27 2jql s VAL 87 N 1.76 3.16 0.00 2.11 -7.23 -0.78 -4.76 120.40 114.67 2jql s VAL 87 Ca 0.07 -0.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.62 2jql s VAL 87 Cb -0.17 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.31 2jql s VAL 87 CO 0.11 0.40 0.00 -0.67 -0.31 0.00 0.00 175.10 174.63 2jql n ASP 88 N 4.76 0.00 0.00 4.85 2.03 -1.26 -3.22 116.55 123.71 2jql n ASP 88 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 2jql n ASP 88 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 2jql n ASP 88 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2jql n ASN 89 N 2.94 0.00 -4.86 1.67 5.15 -1.26 -5.15 115.26 113.75 2jql n ASN 89 Ca 0.00 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.67 2jql n ASN 89 Cb 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2jql n ASN 89 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2jql s PHE 90 N -0.96 3.57 -0.18 1.20 0.08 -1.20 -5.01 117.98 115.49 2jql s PHE 90 Ca 0.00 1.35 -0.09 0.00 0.12 0.00 0.00 56.93 58.31 2jql s PHE 90 Cb 0.00 -2.74 -0.05 0.00 -0.57 0.00 0.00 43.02 39.66 2jql s PHE 90 CO 0.00 -0.59 0.11 -0.65 -0.10 0.00 0.00 175.22 173.99 2jql s GLN 91 N -4.84 3.98 -0.16 0.44 -0.21 -1.26 -1.87 119.66 115.74 2jql s GLN 91 Ca 0.56 -0.24 -0.02 0.00 0.02 0.00 0.00 55.36 55.67 2jql s GLN 91 Cb -0.11 -3.31 -0.02 0.00 1.00 0.00 0.00 33.01 30.57 2jql s GLN 91 CO 0.47 0.38 -0.07 0.50 -2.12 0.00 0.00 175.29 174.45 2jql s ARG 92 N 0.10 3.52 -0.14 2.91 6.06 -0.40 -4.94 118.95 126.05 2jql s ARG 92 Ca 0.08 -0.60 -0.01 0.00 -2.50 0.00 0.00 55.73 52.70 2jql s ARG 92 Cb -0.12 -2.83 -0.01 0.00 0.06 0.00 0.00 34.95 32.05 2jql s ARG 92 CO -0.00 0.16 -0.12 -0.80 -2.50 0.00 0.00 175.30 172.04 2jql s ASN 93 N 0.54 4.09 -0.02 -2.12 -0.87 -1.26 -2.73 114.94 112.57 2jql s ASN 93 Ca -0.05 -0.32 0.03 0.00 -1.57 0.00 0.00 52.86 50.95 2jql s ASN 93 Cb -0.15 -1.63 -0.00 0.00 -0.02 0.00 0.00 41.25 39.44 2jql s ASN 93 CO 0.03 0.15 -0.11 -0.76 -2.57 0.00 0.00 177.10 173.84 2jql s LEU 94 N 0.44 1.92 -0.02 0.60 1.43 -1.17 -4.94 118.68 116.94 2jql s LEU 94 Ca -0.09 -0.21 0.08 0.00 -1.03 0.00 0.00 54.13 52.88 2jql s LEU 94 Cb -0.16 -0.60 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 2jql s LEU 94 CO 0.05 0.11 -0.25 -0.63 0.23 0.00 0.00 176.35 175.85 2jql s ILE 95 N -0.06 2.01 -0.09 -0.59 1.09 -1.13 -3.07 121.20 119.36 2jql s ILE 95 Ca 0.01 -1.08 0.02 0.00 -1.10 0.00 0.00 60.65 58.50 2jql s ILE 95 Cb -0.07 -1.67 -0.02 0.00 -1.06 0.00 0.00 42.46 39.64 2jql s ILE 95 CO 0.00 0.57 -0.15 0.21 -0.10 0.00 0.00 174.94 175.47 2jql s ASN 96 N -0.55 3.89 -0.26 3.58 2.47 -1.06 0.83 114.94 123.83 2jql s ASN 96 Ca 0.08 -0.30 -0.11 0.00 0.42 0.00 0.00 52.86 52.95 2jql s ASN 96 Cb -0.10 -1.21 -0.05 0.00 -1.45 0.00 0.00 41.25 38.43 2jql s ASN 96 CO -0.00 0.25 0.18 -0.69 -3.72 0.00 0.00 177.10 173.11 2jql s VAL 97 N -0.14 5.34 -0.11 -5.21 1.01 0.11 -2.50 120.40 118.89 2jql s VAL 97 Ca -0.01 0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 2jql s VAL 97 Cb -0.14 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.75 2jql s VAL 97 CO 0.03 0.30 -0.07 -0.63 0.00 0.00 0.00 175.10 174.73 2jql s ILE 98 N 1.38 0.97 -0.16 2.22 1.01 -0.96 -2.91 121.20 122.76 2jql s ILE 98 Ca 0.07 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.42 2jql s ILE 98 Cb -0.15 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 2jql s ILE 98 CO 0.07 0.36 -0.04 1.51 0.00 0.00 0.00 174.94 176.84 2jql s ASP 99 N 1.64 4.73 0.00 3.58 -4.77 -1.26 -1.63 116.67 118.95 2jql s ASP 99 Ca 0.03 -0.16 0.28 0.00 -3.30 0.00 0.00 52.55 49.41 2jql s ASP 99 Cb -0.13 -1.77 1.06 0.00 -1.09 0.00 0.00 42.92 40.99 2jql s ASP 99 CO -0.07 0.16 1.79 0.29 0.70 0.00 0.00 175.17 178.04 2jql n LYS 100 N 3.61 0.09 -2.23 2.11 4.76 -1.21 -5.01 118.16 120.28 2jql n LYS 100 Ca -0.17 -0.02 -0.03 0.00 -2.87 0.00 0.00 58.31 55.21 2jql n LYS 100 Cb 0.52 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.19 2jql n LYS 100 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2jql n SER 101 N -1.44 -1.51 0.11 4.39 7.64 -1.26 -5.05 113.62 116.50 2jql n SER 101 Ca 0.08 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.85 2jql n SER 101 Cb 0.33 -3.83 0.00 0.00 -1.01 0.00 0.00 64.21 59.70 2jql n SER 101 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2jql n ARG 102 N 1.04 0.00 -0.06 1.43 3.00 -1.26 -4.99 116.66 115.82 2jql n ARG 102 Ca -0.25 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.52 2jql n ARG 102 Cb 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.78 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 -3.05 2.97 0.00 6.15 4.13 -1.26 -5.09 115.26 119.11 2jql n ASN 103 Ca 0.00 -0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.20 2jql n ASN 103 Cb 0.00 -0.10 0.00 0.00 -1.54 0.00 0.00 39.78 38.14 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 2.85 2.62 3.50 7.41 0.00 -1.26 -4.92 105.19 115.39 2jql n GLY 104 Ca -0.22 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 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 4.20 -0.17 2.61 2.01 -1.26 -2.27 115.64 120.77 2jql s THR 105 Ca 0.00 -0.23 -0.02 0.00 0.31 0.00 0.00 61.69 61.75 2jql s THR 105 Cb 0.00 -2.90 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 2jql s THR 105 CO 0.00 0.43 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.93 2jql s PHE 106 N 0.81 2.91 -0.07 4.92 0.40 -0.29 -4.29 117.98 122.38 2jql s PHE 106 Ca 0.01 -0.66 0.03 0.00 -0.60 0.00 0.00 56.93 55.71 2jql s PHE 106 Cb -0.14 -1.96 -0.02 0.00 0.51 0.00 0.00 43.02 41.41 2jql s PHE 106 CO 0.02 -0.28 -0.16 -1.50 0.70 0.00 0.00 175.22 174.00 2jql s ILE 107 N 0.73 2.92 -1.64 0.64 1.10 -0.71 -0.10 121.20 124.14 2jql s ILE 107 Ca -0.04 -0.76 0.00 0.00 -0.51 0.00 0.00 60.65 59.34 2jql s ILE 107 Cb -0.15 -2.15 0.00 0.00 0.15 0.00 0.00 42.46 40.31 2jql s ILE 107 CO 0.02 0.57 0.00 0.59 -2.11 0.00 0.00 174.94 174.01 2jql n ASN 108 N 2.64 -5.25 -0.11 4.50 5.03 -0.45 -1.50 115.26 120.12 2jql n ASN 108 Ca -0.17 0.10 -0.01 0.00 0.87 0.00 0.00 54.58 55.36 2jql n ASN 108 Cb 0.52 -4.32 -0.01 0.00 -1.02 0.00 0.00 39.78 34.95 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 -0.95 0.42 3.12 7.41 0.00 -1.26 -4.99 105.19 108.94 2jql n GLY 109 Ca -0.21 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.15 1.21 0.09 1.61 0.01 -0.56 -5.13 114.94 110.02 2jql s ASN 110 Ca 0.00 -0.66 -0.31 0.00 -0.71 0.00 0.00 52.86 51.18 2jql s ASN 110 Cb 0.00 0.01 -0.07 0.00 0.41 0.00 0.00 41.25 41.60 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 -2.06 4.37 -0.08 -0.60 0.52 -1.26 -1.74 118.95 118.09 2jql s ARG 111 Ca -0.03 1.94 -0.06 0.00 -0.52 0.00 0.00 55.73 57.07 2jql s ARG 111 Cb -0.07 -3.29 -0.04 0.00 0.52 0.00 0.00 34.95 32.07 2jql s ARG 111 CO 0.00 -0.36 0.15 -1.17 0.02 0.00 0.00 175.30 173.95 2jql s LEU 112 N 1.06 4.38 -0.14 2.53 2.96 -1.26 -4.94 118.68 123.27 2jql s LEU 112 Ca 0.62 0.43 0.17 0.00 -0.22 0.00 0.00 54.13 55.13 2jql s LEU 112 Cb -0.34 -2.25 0.43 0.00 0.50 0.00 0.00 46.19 44.53 2jql s LEU 112 CO 0.30 0.36 1.19 0.55 -1.32 0.00 0.00 176.35 177.43 2jql n VAL 113 N 1.63 1.35 -3.97 1.68 3.14 -1.26 -5.03 118.33 115.88 2jql n VAL 113 Ca -0.17 -2.44 -0.26 0.00 -2.96 0.00 0.00 64.34 58.51 2jql n VAL 113 Cb 0.54 0.24 -0.02 0.00 -1.06 0.00 0.00 33.84 33.54 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 -2.06 2.27 -0.01 1.45 2.36 -1.26 -5.07 119.74 117.42 2jql s LYS 114 Ca 0.37 -1.99 0.00 0.00 -2.55 0.00 0.00 55.97 51.80 2jql s LYS 114 Cb 0.38 -2.06 -0.01 0.00 -1.05 0.00 0.00 37.83 35.09 2jql s LYS 114 CO -0.10 -0.50 -0.01 1.17 1.55 0.00 0.00 175.35 177.46 2jql n LYS 115 N -1.64 0.03 -3.27 4.03 4.81 -1.26 -4.77 118.16 116.09 2jql n LYS 115 Ca -0.03 0.01 -0.32 0.00 -0.87 0.00 0.00 58.31 57.10 2jql n LYS 115 Cb 0.64 -0.99 -0.05 0.00 0.02 0.00 0.00 35.03 34.65 2jql n LYS 115 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2jql n ASP 116 N -2.58 4.61 -4.77 3.14 8.00 -1.26 -4.37 116.55 119.32 2jql n ASP 116 Ca -0.02 -3.45 -0.39 0.00 0.71 0.00 0.00 54.79 51.63 2jql n ASP 116 Cb 0.52 -0.84 -0.06 0.00 -0.02 0.00 0.00 41.12 40.72 2jql n ASP 116 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2jql s TYR 117 N -2.65 3.89 -0.26 1.24 5.04 -1.14 -4.92 117.35 118.55 2jql s TYR 117 Ca 0.38 1.62 -0.12 0.00 -2.44 0.00 0.00 57.07 56.50 2jql s TYR 117 Cb 0.13 -2.77 -0.05 0.00 0.35 0.00 0.00 41.96 39.62 2jql s TYR 117 CO 0.02 0.49 0.25 -1.50 -1.34 0.00 0.00 175.55 173.46 2jql s ILE 118 N -1.01 5.28 -0.12 3.14 1.10 -1.26 0.04 121.20 128.37 2jql s ILE 118 Ca 0.36 0.32 -0.05 0.00 -0.51 0.00 0.00 60.65 60.77 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 0.25 0.08 -0.22 -2.11 0.00 0.00 174.94 173.20 2jql s LEU 119 N 1.64 4.02 0.39 8.50 0.20 0.24 -4.94 118.68 128.74 2jql s LEU 119 Ca 0.10 0.30 0.05 0.00 0.69 0.00 0.00 54.13 55.28 2jql s LEU 119 Cb -0.15 -1.97 -0.07 0.00 -0.43 0.00 0.00 46.19 43.58 2jql s LEU 119 CO 0.09 0.37 0.03 -0.75 -0.29 0.00 0.00 176.35 175.79 2jql s LYS 120 N -0.79 1.89 0.33 1.98 2.47 -1.26 -2.85 119.74 121.52 2jql s LYS 120 Ca 0.13 -2.08 -0.29 0.00 -1.56 0.00 0.00 55.97 52.17 2jql s LYS 120 Cb -0.12 -1.36 -0.12 0.00 -1.46 0.00 0.00 37.83 34.78 2jql s LYS 120 CO 0.03 -0.14 1.45 0.27 0.16 0.00 0.00 175.35 177.12 2jql n ASN 121 N -0.93 3.43 -1.28 1.43 6.94 -1.26 -3.40 115.26 120.18 2jql n ASN 121 Ca -0.06 1.19 -0.02 0.00 -0.02 0.00 0.00 54.58 55.68 2jql n ASN 121 Cb 0.67 -1.56 0.01 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 1.13 0.36 3.08 4.83 0.00 -0.18 -4.99 105.19 109.43 2jql n GLY 122 Ca 0.05 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.16 2.36 -0.21 1.61 1.11 -1.16 -5.00 116.67 112.21 2jql s ASP 123 Ca 0.00 -0.41 -0.21 0.00 0.18 0.00 0.00 52.55 52.11 2jql s ASP 123 Cb -0.00 -1.07 -0.02 0.00 1.07 0.00 0.00 42.92 42.89 2jql s ASP 123 CO 0.09 0.05 0.63 -0.13 1.18 0.00 0.00 175.17 176.99 2jql s ARG 124 N 0.74 4.19 -0.09 8.23 0.52 -1.26 -2.20 118.95 129.08 2jql s ARG 124 Ca -0.12 0.60 0.03 0.00 -0.52 0.00 0.00 55.73 55.73 2jql s ARG 124 Cb -0.16 -3.60 0.01 0.00 0.52 0.00 0.00 34.95 31.72 2jql s ARG 124 CO 0.02 -0.28 -0.20 0.42 0.02 0.00 0.00 175.30 175.29 2jql s ILE 125 N 2.06 1.73 -0.11 1.52 1.09 -0.27 -1.34 121.20 125.89 2jql s ILE 125 Ca 0.28 -0.82 -0.00 0.00 -1.10 0.00 0.00 60.65 59.00 2jql s ILE 125 Cb -0.16 -1.52 -0.02 0.00 -1.06 0.00 0.00 42.46 39.70 2jql s ILE 125 CO 0.10 0.49 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.65 2jql s VAL 126 N 0.49 3.47 -0.06 2.92 1.01 0.85 -1.58 120.40 127.52 2jql s VAL 126 Ca -0.17 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.32 2jql s VAL 126 Cb -0.17 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 2jql s VAL 126 CO 0.06 0.55 -0.18 -0.36 0.00 0.00 0.00 175.10 175.17 2jql s PHE 127 N -0.11 2.60 0.00 5.22 0.40 0.28 -1.14 117.98 125.23 2jql s PHE 127 Ca 0.00 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 2jql s PHE 127 Cb -0.13 -1.64 0.00 0.00 0.51 0.00 0.00 43.02 41.76 2jql s PHE 127 CO 0.03 -0.01 0.00 0.41 0.70 0.00 0.00 175.22 176.35 2jql n GLY 128 N 2.68 1.42 0.00 4.36 0.00 -0.96 -2.52 105.19 110.16 2jql n GLY 128 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.71 118.16 116.56 2jql n LYS 129 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 2jql n LYS 129 Cb 0.00 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.30 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 2.48 -4.55 -5.58 3.41 -1.24 -4.93 113.62 103.21 2jql n SER 130 Ca 0.00 -0.07 -0.41 0.00 -0.26 0.00 0.00 58.87 58.12 2jql n SER 130 Cb 0.00 -0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 63.85 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 9.71 2.66 0.03 0.00 1.04 -1.26 0.98 113.70 126.86 2jql s SER 132 Ca 1.03 -0.48 -0.03 0.00 0.48 0.00 0.00 55.95 56.94 2jql s SER 132 Cb -0.39 -1.18 -0.02 0.00 0.10 0.00 0.00 66.02 64.54 2jql s SER 132 CO 0.34 -0.04 0.04 0.72 0.98 0.00 0.00 173.24 175.28 2jql s PHE 133 N 1.41 0.23 -0.05 5.02 -0.71 -0.61 -0.33 117.98 122.94 2jql s PHE 133 Ca 0.03 -0.51 0.04 0.00 -1.04 0.00 0.00 56.93 55.45 2jql s PHE 133 Cb -0.13 -0.17 -0.03 0.00 -1.21 0.00 0.00 43.02 41.48 2jql s PHE 133 CO -0.09 -0.28 -0.15 -1.17 -1.34 0.00 0.00 175.22 172.18 2jql s LEU 134 N -1.82 2.70 -0.06 -1.99 0.20 0.87 -1.11 118.68 117.47 2jql s LEU 134 Ca -0.10 -0.21 -0.01 0.00 0.69 0.00 0.00 54.13 54.50 2jql s LEU 134 Cb -0.05 -1.54 -0.03 0.00 -0.43 0.00 0.00 46.19 44.14 2jql s LEU 134 CO -0.03 0.34 0.01 0.12 -0.29 0.00 0.00 176.35 176.51 2jql s PHE 135 N -0.72 3.15 0.06 5.38 2.19 -0.93 -1.43 117.98 125.68 2jql s PHE 135 Ca 0.11 0.17 -0.19 0.00 0.33 0.00 0.00 56.93 57.35 2jql s PHE 135 Cb -0.11 -1.75 0.04 0.00 -1.31 0.00 0.00 43.02 39.89 2jql s PHE 135 CO 0.00 0.48 0.45 0.21 1.83 0.00 0.00 175.22 178.19 2jql s LYS 136 N -1.14 0.99 0.24 10.12 2.20 -1.16 -1.01 119.74 129.99 2jql s LYS 136 Ca 0.16 -0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 55.10 2jql s LYS 136 Cb -0.11 0.45 -0.09 0.00 -1.51 0.00 0.00 37.83 36.56 2jql s LYS 136 CO 0.05 -0.36 0.97 0.71 -0.36 0.00 0.00 175.35 176.36 2jql s TYR 137 N -2.68 3.92 -1.20 4.03 2.02 -1.26 -1.82 117.35 120.36 2jql s TYR 137 Ca -0.04 1.88 -0.14 0.00 -0.37 0.00 0.00 57.07 58.40 2jql s TYR 137 Cb -0.00 -3.03 0.17 0.00 -0.40 0.00 0.00 41.96 38.69 2jql s TYR 137 CO -0.04 0.30 1.43 0.00 -1.57 0.00 0.00 175.55 175.67 2jql s ALA 138 N -1.16 3.97 0.34 3.71 0.00 0.25 -4.86 121.76 124.01 2jql s ALA 138 Ca 0.42 -3.34 -0.13 0.00 0.00 0.00 0.00 51.96 48.91 2jql s ALA 138 Cb -0.27 -4.14 0.05 0.00 0.00 0.00 0.00 23.12 18.77 2jql s ALA 138 CO 0.33 -2.79 0.68 -1.13 0.00 0.00 0.00 175.76 172.85 2jql n SER 139 N 5.74 -1.98 -3.60 0.00 3.41 -1.26 -4.80 113.62 111.12 2jql n SER 139 Ca 0.37 -2.37 0.02 0.00 -0.26 0.00 0.00 58.87 56.62 2jql n SER 139 Cb 0.43 3.30 -0.06 0.00 -0.26 0.00 0.00 64.21 67.63 2jql n SER 139 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2jql s SER 140 N -2.78 -0.16 -1.59 4.04 0.15 -1.26 -4.97 113.70 107.13 2jql s SER 140 Ca 0.14 0.25 -0.04 0.00 0.70 0.00 0.00 55.95 57.00 2jql s SER 140 Cb -0.04 1.08 0.01 0.00 -1.71 0.00 0.00 66.02 65.36 2jql s SER 140 CO 0.10 -0.04 0.50 -0.24 1.20 0.00 0.00 173.24 174.76 2jql n SER 141 N 3.40 -5.99 -0.10 5.45 2.88 -1.26 -4.88 113.62 113.12 2jql n SER 141 Ca -0.16 -0.24 -0.16 0.00 -1.33 0.00 0.00 58.87 56.98 2jql n SER 141 Cb 0.56 -4.87 -0.08 0.00 -0.75 0.00 0.00 64.21 59.07 2jql n SER 141 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2jql n SER 142 N -2.43 2.22 -4.44 -3.46 7.64 -1.26 -5.04 113.62 106.85 2jql n SER 142 Ca -0.13 -0.01 -0.23 0.00 1.01 0.00 0.00 58.87 59.51 2jql n SER 142 Cb 0.63 -0.38 -0.10 0.00 -1.01 0.00 0.00 64.21 63.35 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 -2.38 2.33 -0.32 0.44 -4.23 -1.26 -4.88 115.64 105.34 2jql s THR 143 Ca -0.26 -2.37 -0.04 0.00 -1.18 0.00 0.00 61.69 57.84 2jql s THR 143 Cb 0.08 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.68 2jql s THR 143 CO 0.42 -0.43 0.15 -0.67 -0.54 0.00 0.00 174.62 173.54 2jql n ASP 144 N -0.56 -7.72 0.00 3.99 -0.08 -1.26 -5.07 116.55 105.85 2jql n ASP 144 Ca -0.06 1.15 0.00 0.00 -1.51 0.00 0.00 54.79 54.37 2jql n ASP 144 Cb 0.60 -5.15 0.00 0.00 2.34 0.00 0.00 41.12 38.91 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 0.42 0.00 -2.78 5.18 5.41 -1.26 -5.01 119.36 121.33 2jql n ILE 145 Ca 0.03 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.72 2jql n ILE 145 Cb 0.11 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 39.06 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 0.60 -3.39 0.38 1.02 -1.26 -5.10 120.64 112.90 2jql n GLU 146 Ca 0.00 -1.99 -0.16 0.00 -0.02 0.00 0.00 57.16 54.99 2jql n GLU 146 Cb 0.00 -1.47 -0.09 0.00 -0.02 0.00 0.00 31.44 29.86 2jql n GLU 146 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2jql s ASN 147 N 0.08 1.55 -0.94 1.62 2.47 -1.26 -5.08 114.94 113.38 2jql s ASN 147 Ca 0.31 -0.72 -0.12 0.00 0.42 0.00 0.00 52.86 52.75 2jql s ASN 147 Cb 0.07 0.57 0.24 0.00 -1.45 0.00 0.00 41.25 40.68 2jql s ASN 147 CO -0.11 -0.39 0.90 -1.81 -3.72 0.00 0.00 177.10 171.97 2jql s ASP 148 N 2.38 6.96 -1.25 -4.21 1.11 -1.26 -4.97 116.67 115.42 2jql s ASP 148 Ca 0.09 -3.07 -0.14 0.00 0.18 0.00 0.00 52.55 49.61 2jql s ASP 148 Cb -0.14 -2.20 0.14 0.00 1.07 0.00 0.00 42.92 41.79 2jql s ASP 148 CO -0.33 -0.45 1.60 0.47 1.18 0.00 0.00 175.17 177.64 2jql n ASP 149 N 3.44 5.08 0.02 0.27 9.92 -1.26 -4.52 116.55 129.50 2jql n ASP 149 Ca 0.18 -2.97 0.00 0.00 -0.53 0.00 0.00 54.79 51.47 2jql n ASP 149 Cb 0.44 -1.61 0.00 0.00 -0.64 0.00 0.00 41.12 39.30 2jql n ASP 149 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2jql n GLU 150 N 6.24 0.00 -2.43 -1.24 4.07 -1.26 -5.03 120.64 120.99 2jql n GLU 150 Ca 0.41 0.00 -0.20 0.00 -0.06 0.00 0.00 57.16 57.32 2jql n GLU 150 Cb 0.43 -0.08 -0.00 0.00 -0.06 0.00 0.00 31.44 31.73 2jql n GLU 150 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2jql n LYS 151 N -2.75 -1.86 -0.05 5.31 5.02 -1.26 -4.86 118.16 117.71 2jql n LYS 151 Ca 0.00 0.93 -0.08 0.00 -2.02 0.00 0.00 58.31 57.14 2jql n LYS 151 Cb 0.00 -5.53 -0.04 0.00 -0.02 0.00 0.00 35.03 29.43 2jql n LYS 151 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2jql n VAL 152 N -4.06 0.58 -2.52 -0.18 0.31 -1.26 -4.78 118.33 106.41 2jql n VAL 152 Ca -0.22 -0.20 -0.25 0.00 -0.01 0.00 0.00 64.34 63.67 2jql n VAL 152 Cb 0.67 -1.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 2jql n VAL 152 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2jql n SER 153 N -3.00 4.27 -0.08 4.52 2.88 -1.26 -4.74 113.62 116.21 2jql n SER 153 Ca -0.19 -3.59 -0.12 0.00 -1.33 0.00 0.00 58.87 53.65 2jql n SER 153 Cb 0.68 -0.47 -0.07 0.00 -0.75 0.00 0.00 64.21 63.59 2jql n SER 153 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2jql n SER 154 N -0.41 2.52 -3.57 -3.46 3.41 -1.26 -5.10 113.62 105.75 2jql n SER 154 Ca 0.35 -0.03 -0.06 0.00 -0.26 0.00 0.00 58.87 58.87 2jql n SER 154 Cb 0.67 -0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 64.32 2jql n SER 154 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2jql s GLU 155 N -2.31 0.47 -0.23 4.33 2.56 -1.26 -5.14 118.70 117.12 2jql s GLU 155 Ca -0.21 -0.17 -0.16 0.00 0.00 0.00 0.00 54.97 54.42 2jql s GLU 155 Cb 0.06 0.22 -0.04 0.00 2.00 0.00 0.00 34.13 36.37 2jql s GLU 155 CO 0.34 -0.21 0.43 -1.12 -0.56 0.00 0.00 175.26 174.14 2jql s SER 156 N -2.28 6.41 -0.46 -1.70 0.01 -1.26 -4.96 113.70 109.46 2jql s SER 156 Ca 0.08 0.48 0.04 0.00 1.31 0.00 0.00 55.95 57.86 2jql s SER 156 Cb -0.01 -2.24 0.57 0.00 0.21 0.00 0.00 66.02 64.55 2jql s SER 156 CO -0.06 -0.15 1.81 -1.14 0.41 0.00 0.00 173.24 174.10 2jql n ARG 157 N 4.91 2.34 0.00 12.44 0.63 -1.26 -4.52 116.66 131.20 2jql n ARG 157 Ca -0.07 -3.19 0.00 0.00 -0.92 0.00 0.00 57.85 53.67 2jql n ARG 157 Cb 0.51 -2.13 0.00 0.00 0.45 0.00 0.00 32.46 31.28 2jql n ARG 157 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2jql n SER 158 N -1.06 0.00 -0.05 6.15 2.88 -1.26 -5.34 113.62 114.93 2jql n SER 158 Ca 0.54 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 58.09 2jql n SER 158 Cb 1.26 0.31 0.01 0.00 -0.75 0.00 0.00 64.21 65.03 2jql n SER 158 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81