#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jql n ARG 20 N 0.00 -0.62 -4.13 -1.58 0.63 -1.26 -5.10 116.66 104.60 2jql n ARG 20 Ca 0.00 -0.50 -0.16 0.00 -0.92 0.00 0.00 57.85 56.27 2jql n ARG 20 Cb 0.00 -0.36 -0.15 0.00 0.45 0.00 0.00 32.46 32.40 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 -3.71 0.41 -0.19 -0.14 2.00 -1.26 -5.04 119.66 111.74 2jql s GLN 21 Ca 0.19 -0.16 0.22 0.00 -2.00 0.00 0.00 55.36 53.60 2jql s GLN 21 Cb -0.01 -0.41 0.45 0.00 0.80 0.00 0.00 33.01 33.84 2jql s GLN 21 CO 0.13 0.09 1.17 1.04 -0.50 0.00 0.00 175.29 177.22 2jql n GLN 22 N 3.07 1.15 -2.63 1.67 6.02 -1.26 -5.01 117.38 120.38 2jql n GLN 22 Ca -0.14 -2.75 -0.43 0.00 -0.01 0.00 0.00 57.00 53.67 2jql n GLN 22 Cb 0.58 -0.87 0.00 0.00 1.02 0.00 0.00 30.24 30.97 2jql n GLN 22 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2jql n ARG 23 N -0.38 3.28 -3.13 -1.09 1.74 -1.26 -4.91 116.66 110.92 2jql n ARG 23 Ca 0.02 -3.48 -0.45 0.00 -0.77 0.00 0.00 57.85 53.18 2jql n ARG 23 Cb 0.90 -3.24 -0.01 0.00 -1.02 0.00 0.00 32.46 29.10 2jql n ARG 23 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2jql s SER 24 N 3.22 7.06 0.00 0.55 0.15 -1.26 -4.87 113.70 118.55 2jql s SER 24 Ca 0.47 -3.03 0.00 0.00 0.70 0.00 0.00 55.95 54.10 2jql s SER 24 Cb 0.03 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2jql s SER 24 CO 0.03 -0.61 0.00 0.59 1.20 0.00 0.00 173.24 174.44 2jql n ASN 25 N 4.56 0.00 -4.65 5.45 3.02 -1.26 -4.76 115.26 117.61 2jql n ASN 25 Ca 0.28 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.40 2jql n ASN 25 Cb 0.43 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.57 2jql n ASN 25 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2jql n LYS 26 N 0.00 2.80 -0.95 3.52 3.00 -1.26 -4.94 118.16 120.32 2jql n LYS 26 Ca 0.00 1.01 -0.33 0.00 -0.00 0.00 0.00 58.31 58.99 2jql n LYS 26 Cb 0.00 -3.04 0.13 0.00 0.00 0.00 0.00 35.03 32.12 2jql n LYS 26 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2jql n PRO 27 N 7.67 -0.06 -1.81 1.64 -0.02 -1.26 -4.78 135.00 136.37 2jql n PRO 27 Ca 0.21 0.05 -0.21 0.00 -2.02 0.00 0.00 63.50 61.54 2jql n PRO 27 Cb 0.41 -2.27 -0.08 0.00 -0.02 0.00 0.00 33.50 31.54 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 -2.18 4.23 0.00 2.55 0.15 -1.26 -4.24 113.70 112.95 2jql s SER 28 Ca 0.68 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2jql s SER 28 Cb -0.27 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.46 2jql s SER 28 CO 0.56 -3.84 0.00 -1.54 1.20 0.00 0.00 173.24 169.62 2jql n SER 29 N 17.10 1.30 -3.17 5.45 3.41 -1.26 -5.09 113.62 131.36 2jql n SER 29 Ca 0.43 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.83 2jql n SER 29 Cb 0.46 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.61 2jql n SER 29 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jql n GLU 30 N -2.42 -3.68 0.00 4.33 1.02 -1.26 -5.08 120.64 113.55 2jql n GLU 30 Ca 0.00 -1.05 0.00 0.00 -0.02 0.00 0.00 57.16 56.09 2jql n GLU 30 Cb 0.30 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 -4.78 0.00 -3.86 -0.32 4.02 -1.26 -5.14 117.16 105.82 2jql n TYR 31 Ca 0.10 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.86 2jql n TYR 31 Cb 0.41 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.59 2jql n TYR 31 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2jql s THR 32 N 2.85 -0.01 0.15 -0.72 -1.32 -1.26 -5.00 115.64 110.34 2jql s THR 32 Ca 0.00 0.03 -0.30 0.00 -1.21 0.00 0.00 61.69 60.20 2jql s THR 32 Cb 0.00 -0.02 -0.08 0.00 -1.51 0.00 0.00 72.50 70.89 2jql s THR 32 CO 0.00 0.01 1.25 0.00 -2.21 0.00 0.00 174.62 173.67 2jql n LEU 34 N 3.00 0.92 0.00 0.00 -0.00 -1.03 -4.98 117.00 114.91 2jql n LEU 34 Ca 0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.97 2jql n LEU 34 Cb 0.44 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.86 2jql n LEU 34 CO 0.56 0.07 0.30 0.61 -0.00 0.00 0.00 177.39 178.94 2jql n GLY 35 N 2.32 1.67 3.13 -3.96 0.00 -1.18 -1.19 105.19 105.98 2jql n GLY 35 Ca 0.00 -1.40 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 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 -3.16 0.16 -0.18 1.61 3.76 -1.13 0.11 115.29 116.46 2jql s HIS 36 Ca 0.20 -0.44 0.01 0.00 -0.15 0.00 0.00 55.06 54.68 2jql s HIS 36 Cb -0.03 -0.11 0.02 0.00 1.11 0.00 0.00 32.58 33.57 2jql s HIS 36 CO 0.14 -0.38 -0.19 -0.51 -0.85 0.00 0.00 174.74 172.95 2jql s LEU 37 N -2.10 2.19 -0.25 0.89 1.02 0.10 -3.00 118.68 117.52 2jql s LEU 37 Ca -0.05 -0.69 -0.12 0.00 0.02 0.00 0.00 54.13 53.29 2jql s LEU 37 Cb -0.01 -1.47 -0.05 0.00 0.02 0.00 0.00 46.19 44.68 2jql s LEU 37 CO -0.04 -0.01 0.24 -0.69 0.02 0.00 0.00 176.35 175.86 2jql s VAL 38 N 1.29 5.29 -0.30 -1.59 1.01 -1.06 -1.37 120.40 123.67 2jql s VAL 38 Ca 0.04 0.31 -0.22 0.00 0.00 0.00 0.00 61.98 62.11 2jql s VAL 38 Cb -0.13 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 2jql s VAL 38 CO -0.12 0.27 0.72 0.20 0.00 0.00 0.00 175.10 176.16 2jql s ASN 39 N 1.40 6.60 -0.54 3.32 0.01 0.16 -0.13 114.94 125.77 2jql s ASN 39 Ca 0.10 0.60 -0.25 0.00 -0.71 0.00 0.00 52.86 52.60 2jql s ASN 39 Cb -0.15 -2.37 0.04 0.00 0.41 0.00 0.00 41.25 39.17 2jql s ASN 39 CO 0.08 -0.54 0.99 -0.76 -1.51 0.00 0.00 177.10 175.36 2jql s LEU 40 N 2.78 3.95 -0.00 0.60 1.43 0.17 -2.93 118.68 124.67 2jql s LEU 40 Ca 0.29 -0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.30 2jql s LEU 40 Cb -0.15 -2.98 -0.02 0.00 0.03 0.00 0.00 46.19 43.08 2jql s LEU 40 CO 0.12 -1.24 -0.21 -0.63 0.23 0.00 0.00 176.35 174.62 2jql s ILE 41 N 4.10 1.65 -1.19 -0.59 1.01 -1.09 -4.41 121.20 120.69 2jql s ILE 41 Ca 0.34 -0.95 -0.22 0.00 0.00 0.00 0.00 60.65 59.82 2jql s ILE 41 Cb -0.11 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 2jql s ILE 41 CO 0.22 0.41 1.88 -2.16 0.00 0.00 0.00 174.94 175.29 2jql s PRO 42 N -0.63 2.85 0.00 2.79 0.04 -1.26 -2.32 135.00 136.47 2jql s PRO 42 Ca 0.08 -1.29 0.00 0.00 0.04 0.00 0.00 61.00 59.83 2jql s PRO 42 Cb -0.08 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 29.16 2jql s PRO 42 CO -0.00 -3.52 0.00 0.41 0.04 0.00 0.00 177.00 173.92 2jql n GLY 43 N 5.81 0.55 3.58 0.56 0.00 -1.26 -5.13 105.19 109.30 2jql n GLY 43 Ca 0.45 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.50 2jql n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jql s LYS 44 N 0.00 0.18 0.09 1.61 0.00 -0.98 -5.18 119.74 115.46 2jql s LYS 44 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 55.97 55.91 2jql s LYS 44 Cb 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 37.83 37.86 2jql s LYS 44 CO 0.00 -0.08 -0.11 -1.21 0.00 0.00 0.00 175.35 173.95 2jql s GLU 45 N -2.20 0.83 -0.06 1.78 2.02 -1.26 -2.66 118.70 117.16 2jql s GLU 45 Ca 0.15 -1.11 -0.00 0.00 0.02 0.00 0.00 54.97 54.02 2jql s GLU 45 Cb 0.06 -0.57 0.03 0.00 0.10 0.00 0.00 34.13 33.76 2jql s GLU 45 CO -0.06 0.09 -0.01 -1.14 0.02 0.00 0.00 175.26 174.17 2jql s GLN 46 N -2.60 0.57 -0.17 1.61 -0.44 -1.15 -4.95 119.66 112.52 2jql s GLN 46 Ca 0.04 0.07 -0.02 0.00 -2.50 0.00 0.00 55.36 52.94 2jql s GLN 46 Cb -0.04 -0.82 -0.01 0.00 -1.64 0.00 0.00 33.01 30.49 2jql s GLN 46 CO 0.00 -0.22 -0.09 0.21 0.50 0.00 0.00 175.29 175.70 2jql s LYS 47 N 1.55 3.39 -0.04 1.67 2.20 -1.26 0.38 119.74 127.64 2jql s LYS 47 Ca -0.02 -0.65 0.07 0.00 -0.36 0.00 0.00 55.97 55.01 2jql s LYS 47 Cb -0.13 -2.81 -0.01 0.00 -1.51 0.00 0.00 37.83 33.36 2jql s LYS 47 CO -0.03 0.03 -0.25 0.08 -0.36 0.00 0.00 175.35 174.82 2jql s VAL 48 N 0.86 1.99 0.26 4.02 1.01 -0.47 -4.92 120.40 123.15 2jql s VAL 48 Ca -0.02 -1.05 -0.27 0.00 0.00 0.00 0.00 61.98 60.63 2jql s VAL 48 Cb -0.15 -1.67 -0.09 0.00 0.00 0.00 0.00 36.38 34.47 2jql s VAL 48 CO 0.01 0.56 0.91 -1.83 0.00 0.00 0.00 175.10 174.74 2jql s GLU 49 N -0.31 4.68 -0.16 2.72 1.03 -1.26 0.02 118.70 125.41 2jql s GLU 49 Ca 0.01 1.35 -0.02 0.00 0.03 0.00 0.00 54.97 56.35 2jql s GLU 49 Cb -0.12 -3.07 -0.01 0.00 -0.80 0.00 0.00 34.13 30.13 2jql s GLU 49 CO 0.02 0.43 -0.09 -1.50 -1.33 0.00 0.00 175.26 172.78 2jql s ILE 50 N -1.37 3.29 0.45 1.83 1.10 0.30 -4.92 121.20 121.88 2jql s ILE 50 Ca 0.44 -0.56 0.04 0.00 -0.51 0.00 0.00 60.65 60.06 2jql s ILE 50 Cb -0.22 -2.42 0.01 0.00 0.15 0.00 0.00 42.46 39.97 2jql s ILE 50 CO 0.27 0.49 0.63 0.42 -2.11 0.00 0.00 174.94 174.65 2jql s THR 51 N 0.67 3.28 -1.22 4.00 -4.23 -1.26 -2.46 115.64 114.41 2jql s THR 51 Ca -0.05 -0.81 -0.09 0.00 -1.18 0.00 0.00 61.69 59.56 2jql s THR 51 Cb -0.15 -3.16 0.21 0.00 1.34 0.00 0.00 72.50 70.73 2jql s THR 51 CO 0.02 -0.09 1.67 0.59 -0.54 0.00 0.00 174.62 176.28 2jql n ASN 52 N -2.00 5.43 -1.53 3.99 3.02 -1.17 -4.69 115.26 118.32 2jql n ASN 52 Ca 0.05 -3.15 0.10 0.00 -0.03 0.00 0.00 54.58 51.55 2jql n ASN 52 Cb 0.59 -1.44 0.35 0.00 -0.61 0.00 0.00 39.78 38.66 2jql n ASN 52 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2jql n ARG 53 N 3.54 3.45 0.00 3.52 1.85 -1.26 -4.84 116.66 122.91 2jql n ARG 53 Ca 0.35 -2.77 0.00 0.00 -1.00 0.00 0.00 57.85 54.43 2jql n ARG 53 Cb 0.37 -1.81 0.00 0.00 -1.05 0.00 0.00 32.46 29.97 2jql n ARG 53 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2jql n ASN 54 N 1.26 0.00 -3.88 2.89 3.02 -0.86 -4.81 115.26 112.88 2jql n ASN 54 Ca 0.25 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.64 2jql n ASN 54 Cb 0.81 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.83 2jql n ASN 54 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jql s VAL 55 N 0.00 0.24 -0.07 2.41 1.01 -1.26 -1.95 120.40 120.78 2jql s VAL 55 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.97 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 0.11 -0.17 -0.89 0.00 0.00 0.00 175.10 174.15 2jql s THR 56 N 0.44 1.47 -0.07 3.92 2.01 0.50 -4.88 115.64 119.04 2jql s THR 56 Ca -0.04 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 61.25 2jql s THR 56 Cb -0.07 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 2jql s THR 56 CO -0.01 0.43 0.03 0.42 -0.69 0.00 0.00 174.62 174.80 2jql s THR 57 N 0.47 4.53 -0.07 -0.82 -4.23 -1.26 -0.12 115.64 114.13 2jql s THR 57 Ca -0.14 -0.24 0.01 0.00 -1.18 0.00 0.00 61.69 60.13 2jql s THR 57 Cb -0.16 -2.95 0.02 0.00 1.34 0.00 0.00 72.50 70.75 2jql s THR 57 CO 0.05 0.54 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.98 2jql s ILE 58 N -0.97 0.75 0.00 2.99 1.09 -0.90 0.19 121.20 124.34 2jql s ILE 58 Ca 0.16 -0.20 0.00 0.00 -1.10 0.00 0.00 60.65 59.51 2jql s ILE 58 Cb -0.12 -0.76 0.00 0.00 -1.06 0.00 0.00 42.46 40.52 2jql s ILE 58 CO 0.05 0.29 0.00 0.61 -0.10 0.00 0.00 174.94 175.79 2jql n GLY 59 N 4.35 -0.54 0.04 6.18 0.00 -0.95 -3.04 105.19 111.23 2jql n GLY 59 Ca -0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 2jql n GLY 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jql n ARG 60 N 0.00 2.12 -1.35 1.61 0.63 -1.21 -2.80 116.66 115.66 2jql n ARG 60 Ca 0.00 0.01 -0.41 0.00 -0.92 0.00 0.00 57.85 56.53 2jql n ARG 60 Cb 0.00 -1.21 0.00 0.00 0.45 0.00 0.00 32.46 31.71 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 -2.42 -2.32 0.09 6.15 7.64 -1.26 -4.87 113.62 116.63 2jql n SER 61 Ca -0.14 0.81 -0.06 0.00 1.01 0.00 0.00 58.87 60.49 2jql n SER 61 Cb 0.75 -0.96 0.10 0.00 -1.01 0.00 0.00 64.21 63.08 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 0.39 0.21 0.00 1.43 2.43 -1.99 -2.97 114.38 113.88 2jql h ARG 62 Ca -0.39 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 2jql h ARG 62 Cb 1.43 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.01 2jql h ARG 62 CO 0.47 0.80 0.00 0.77 -1.51 0.00 0.00 179.97 180.50 2jql h SER 63 N 0.15 0.00 -3.39 -3.80 0.02 -2.00 -3.46 113.55 101.06 2jql h SER 63 Ca -0.01 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.37 2jql h SER 63 Cb 1.20 0.00 0.17 0.00 0.14 0.00 0.00 62.40 63.91 2jql h SER 63 CO 0.10 0.00 -0.10 0.00 -1.14 0.00 0.00 176.83 175.69 2jql h ASP 65 N 0.14 -0.38 -3.28 0.00 5.19 0.17 -3.44 116.42 114.82 2jql h ASP 65 Ca -0.47 -0.17 -0.60 0.00 -0.62 0.00 0.00 57.03 55.17 2jql h ASP 65 Cb 1.37 0.10 -0.34 0.00 0.18 0.00 0.00 39.33 40.63 2jql h ASP 65 CO 0.48 0.05 -0.84 -0.69 -3.12 0.00 0.00 179.24 175.11 2jql s VAL 66 N -4.17 1.59 -0.25 -1.35 1.01 0.10 -4.94 120.40 112.39 2jql s VAL 66 Ca -0.13 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 2jql s VAL 66 Cb 0.01 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 2jql s VAL 66 CO 0.47 0.46 0.24 0.27 0.00 0.00 0.00 175.10 176.54 2jql s ILE 67 N 0.87 5.29 0.00 2.22 -4.36 -1.26 -2.25 121.20 121.71 2jql s ILE 67 Ca -0.09 0.32 0.00 0.00 -0.26 0.00 0.00 60.65 60.62 2jql s ILE 67 Cb -0.15 -3.57 0.00 0.00 1.25 0.00 0.00 42.46 39.98 2jql s ILE 67 CO -0.00 0.27 0.00 0.18 0.24 0.00 0.00 174.94 175.63 2jql n LEU 68 N 4.74 0.00 0.00 0.37 4.77 -1.12 -4.96 117.00 120.80 2jql n LEU 68 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2jql n LEU 68 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2jql n LEU 68 CO 0.35 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.21 2jql n SER 69 N 0.00 0.00 0.00 -1.43 7.64 -1.26 -5.03 113.62 113.54 2jql n SER 69 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jql n SER 69 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2jql n SER 69 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jql n GLU 70 N 0.00 0.00 0.26 1.43 -0.58 -1.26 -4.95 120.64 115.54 2jql n GLU 70 Ca 0.00 0.00 0.17 0.00 -0.42 0.00 0.00 57.16 56.91 2jql n GLU 70 Cb 0.00 0.00 0.77 0.00 -0.57 0.00 0.00 31.44 31.64 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 0.00 0.00 3.49 0.13 -1.99 -3.18 132.00 130.45 2jql h PRO 71 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 2jql h PRO 71 Cb 0.00 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 30.97 2jql h PRO 71 CO 0.00 0.00 -0.67 -0.40 -0.23 0.00 0.00 178.00 176.70 2jql n ASP 72 N -2.92 0.83 -4.54 1.44 5.68 -1.26 -5.06 116.55 110.73 2jql n ASP 72 Ca -0.00 -2.31 -0.36 0.00 -0.50 0.00 0.00 54.79 51.62 2jql n ASP 72 Cb 0.23 -0.30 -0.11 0.00 -1.14 0.00 0.00 41.12 39.80 2jql n ASP 72 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 2jql s ILE 73 N -0.63 4.54 0.28 2.12 1.10 -1.20 -5.01 121.20 122.41 2jql s ILE 73 Ca 0.21 -0.11 -0.29 0.00 -0.51 0.00 0.00 60.65 59.95 2jql s ILE 73 Cb 0.23 -3.09 -0.10 0.00 0.15 0.00 0.00 42.46 39.65 2jql s ILE 73 CO -0.08 0.39 1.38 -0.44 -2.11 0.00 0.00 174.94 174.09 2jql s SER 74 N 1.03 6.70 0.19 4.50 0.01 -1.26 -3.92 113.70 120.95 2jql s SER 74 Ca 0.04 2.68 -0.08 0.00 1.31 0.00 0.00 55.95 59.90 2jql s SER 74 Cb -0.14 -2.63 0.11 0.00 0.21 0.00 0.00 66.02 63.56 2jql s SER 74 CO 0.03 -0.63 1.65 0.74 0.41 0.00 0.00 173.24 175.43 2jql h THR 75 N 3.32 1.26 -0.59 1.44 2.02 -1.91 -2.71 112.91 115.76 2jql h THR 75 Ca -0.47 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 65.53 2jql h THR 75 Cb 1.22 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 2jql h THR 75 CO 0.72 0.42 0.00 0.49 0.37 0.00 0.00 175.52 177.52 2jql n PHE 76 N -4.17 1.23 -0.01 3.16 3.01 -1.26 -4.44 117.46 114.98 2jql n PHE 76 Ca 0.02 -0.51 -0.00 0.00 1.01 0.00 0.00 57.45 57.97 2jql n PHE 76 Cb 0.36 -0.18 -0.00 0.00 -0.01 0.00 0.00 39.48 39.65 2jql n PHE 76 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2jql n HIS 77 N 1.06 -0.01 -3.56 1.38 -0.00 -1.02 -4.65 115.22 108.40 2jql n HIS 77 Ca 0.22 0.04 -0.11 0.00 0.46 0.00 0.00 57.72 58.33 2jql n HIS 77 Cb 0.75 -0.20 -0.04 0.00 -0.12 0.00 0.00 29.99 30.38 2jql n HIS 77 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jql s ALA 78 N -3.51 -1.19 -0.05 1.57 0.00 -1.17 -3.95 121.76 113.46 2jql s ALA 78 Ca -0.00 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.18 2jql s ALA 78 Cb 0.00 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.85 2jql s ALA 78 CO 0.02 -0.67 -0.15 -1.21 0.00 0.00 0.00 175.76 173.76 2jql s GLU 79 N -3.63 1.73 -0.12 0.00 8.01 -1.10 -2.11 118.70 121.48 2jql s GLU 79 Ca 0.01 -0.51 0.03 0.00 0.01 0.00 0.00 54.97 54.51 2jql s GLU 79 Cb 0.01 -1.46 0.00 0.00 -4.31 0.00 0.00 34.13 28.37 2jql s GLU 79 CO -0.11 0.14 -0.22 -0.06 0.01 0.00 0.00 175.26 175.02 2jql s PHE 80 N 0.31 2.62 -0.32 1.61 0.40 0.82 -1.07 117.98 122.35 2jql s PHE 80 Ca -0.09 -1.10 -0.16 0.00 -0.60 0.00 0.00 56.93 54.98 2jql s PHE 80 Cb -0.13 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 41.62 2jql s PHE 80 CO 0.03 -0.46 0.44 -1.01 0.70 0.00 0.00 175.22 174.92 2jql s HIS 81 N 0.49 3.21 -0.37 0.36 3.76 -0.05 0.19 115.29 122.89 2jql s HIS 81 Ca -0.14 0.21 -0.10 0.00 -0.15 0.00 0.00 55.06 54.88 2jql s HIS 81 Cb -0.17 -2.75 0.04 0.00 1.11 0.00 0.00 32.58 30.80 2jql s HIS 81 CO 0.05 -0.41 0.18 -1.17 -0.85 0.00 0.00 174.74 172.54 2jql s LEU 82 N 2.20 4.65 -0.02 0.89 2.96 -0.82 -1.82 118.68 126.72 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 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 2jql s LEU 82 CO 0.12 -0.38 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.77 2jql s LEU 83 N 1.50 2.04 -0.18 -0.68 2.01 -1.18 -2.03 118.68 120.17 2jql s LEU 83 Ca 0.01 -0.42 0.00 0.00 0.01 0.00 0.00 54.13 53.73 2jql s LEU 83 Cb -0.20 -1.19 0.01 0.00 0.01 0.00 0.00 46.19 44.83 2jql s LEU 83 CO 0.05 0.28 -0.17 -1.58 1.01 0.00 0.00 176.35 175.94 2jql s GLN 84 N -0.54 3.07 0.11 1.70 0.74 -1.26 -3.06 119.66 120.42 2jql s GLN 84 Ca 0.09 -0.79 0.09 0.00 0.05 0.00 0.00 55.36 54.79 2jql s GLN 84 Cb -0.09 -2.63 -0.04 0.00 1.10 0.00 0.00 33.01 31.35 2jql s GLN 84 CO -0.01 -0.17 -0.22 0.00 -0.55 0.00 0.00 175.29 174.34 2jql s MET 85 N 1.23 1.20 -0.28 1.67 0.23 -1.02 -5.02 119.30 117.30 2jql s MET 85 Ca 0.03 -1.22 -0.07 0.00 -1.03 0.00 0.00 55.69 53.39 2jql s MET 85 Cb -0.14 -1.49 -0.00 0.00 -1.53 0.00 0.00 34.83 31.67 2jql s MET 85 CO -0.09 0.34 0.09 0.16 -2.03 0.00 0.00 175.02 173.49 2jql s ASP 86 N -2.01 5.18 -0.21 -1.18 -4.77 -1.26 -1.22 116.67 111.20 2jql s ASP 86 Ca 0.09 -0.53 -0.03 0.00 -3.30 0.00 0.00 52.55 48.78 2jql s ASP 86 Cb -0.10 -1.91 -0.00 0.00 -1.09 0.00 0.00 42.92 39.82 2jql s ASP 86 CO 0.05 -0.15 -0.07 0.68 0.70 0.00 0.00 175.17 176.38 2jql s VAL 87 N 1.55 3.14 0.00 2.11 -7.23 -1.17 -4.81 120.40 113.99 2jql s VAL 87 Ca 0.04 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 2jql s VAL 87 Cb -0.16 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.36 2jql s VAL 87 CO 0.03 0.45 0.00 0.47 -0.31 0.00 0.00 175.10 175.74 2jql n ASP 88 N 4.69 0.00 0.00 4.85 9.92 -1.26 -2.89 116.55 131.86 2jql n ASP 88 Ca -0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 2jql n ASP 88 Cb 0.51 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 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 2.17 0.00 -2.69 -2.24 5.15 -1.26 -5.15 115.26 111.24 2jql n ASN 89 Ca 0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 53.95 2jql n ASN 89 Cb 0.00 0.09 0.03 0.00 -0.53 0.00 0.00 39.78 39.36 2jql n ASN 89 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2jql n PHE 90 N -1.47 -2.93 -4.56 1.20 3.01 -1.14 -5.02 117.46 106.54 2jql n PHE 90 Ca 0.00 -0.10 -0.27 0.00 1.01 0.00 0.00 57.45 58.09 2jql n PHE 90 Cb 0.00 -0.13 -0.17 0.00 -0.01 0.00 0.00 39.48 39.18 2jql n PHE 90 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 2jql s GLN 91 N -3.26 1.98 -0.21 -1.08 -2.07 -1.26 -3.04 119.66 110.72 2jql s GLN 91 Ca 0.08 -0.49 -0.03 0.00 -1.82 0.00 0.00 55.36 53.09 2jql s GLN 91 Cb -0.01 -1.65 -0.01 0.00 -1.09 0.00 0.00 33.01 30.25 2jql s GLN 91 CO 0.06 -0.01 -0.06 0.50 -1.32 0.00 0.00 175.29 174.47 2jql s ARG 92 N 0.80 3.39 -0.15 9.60 3.52 -0.35 -4.99 118.95 130.76 2jql s ARG 92 Ca -0.11 -0.63 -0.04 0.00 -0.13 0.00 0.00 55.73 54.82 2jql s ARG 92 Cb -0.16 -2.95 -0.03 0.00 -1.56 0.00 0.00 34.95 30.25 2jql s ARG 92 CO 0.02 -0.13 -0.03 -0.80 -0.81 0.00 0.00 175.30 173.55 2jql s ASN 93 N 1.29 4.87 -0.02 -2.12 -0.87 -1.26 -2.45 114.94 114.38 2jql s ASN 93 Ca 0.03 -0.10 0.03 0.00 -1.57 0.00 0.00 52.86 51.25 2jql s ASN 93 Cb -0.14 -1.78 0.00 0.00 -0.02 0.00 0.00 41.25 39.30 2jql s ASN 93 CO -0.02 0.18 -0.09 -0.76 -2.57 0.00 0.00 177.10 173.83 2jql s LEU 94 N 0.32 1.84 -0.02 0.60 1.02 -1.17 -4.96 118.68 116.30 2jql s LEU 94 Ca -0.03 -0.19 0.07 0.00 0.02 0.00 0.00 54.13 54.00 2jql s LEU 94 Cb -0.14 -0.55 -0.02 0.00 0.02 0.00 0.00 46.19 45.49 2jql s LEU 94 CO 0.03 0.08 -0.22 -0.63 0.02 0.00 0.00 176.35 175.63 2jql s ILE 95 N 0.10 2.45 -0.17 -0.59 1.09 -1.16 -3.07 121.20 119.85 2jql s ILE 95 Ca -0.02 -1.02 -0.01 0.00 -1.10 0.00 0.00 60.65 58.51 2jql s ILE 95 Cb -0.08 -1.91 -0.01 0.00 -1.06 0.00 0.00 42.46 39.40 2jql s ILE 95 CO 0.00 0.54 -0.12 0.21 -0.10 0.00 0.00 174.94 175.48 2jql s ASN 96 N -0.78 3.91 -0.11 3.58 3.04 -0.76 0.10 114.94 123.93 2jql s ASN 96 Ca 0.11 -0.42 -0.12 0.00 0.04 0.00 0.00 52.86 52.47 2jql s ASN 96 Cb -0.10 -1.62 -0.05 0.00 -1.54 0.00 0.00 41.25 37.94 2jql s ASN 96 CO 0.00 0.07 0.28 -0.69 -3.04 0.00 0.00 177.10 173.72 2jql s VAL 97 N 0.93 5.29 -0.16 -5.21 1.01 0.42 -0.87 120.40 121.81 2jql s VAL 97 Ca -0.02 0.52 0.01 0.00 0.00 0.00 0.00 61.98 62.49 2jql s VAL 97 Cb -0.15 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.67 2jql s VAL 97 CO -0.01 0.50 -0.18 -0.63 0.00 0.00 0.00 175.10 174.78 2jql s ILE 98 N -0.33 1.86 -0.29 2.22 1.01 -0.23 -2.82 121.20 122.62 2jql s ILE 98 Ca 0.18 -0.82 -0.09 0.00 0.00 0.00 0.00 60.65 59.91 2jql s ILE 98 Cb -0.14 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 2jql s ILE 98 CO 0.06 0.51 0.14 -0.62 0.00 0.00 0.00 174.94 175.03 2jql s ASP 99 N 1.30 5.57 -0.37 3.58 -1.08 -1.26 -2.69 116.67 121.71 2jql s ASP 99 Ca 0.03 -0.32 0.13 0.00 -0.52 0.00 0.00 52.55 51.87 2jql s ASP 99 Cb -0.13 -2.01 0.40 0.00 -1.46 0.00 0.00 42.92 39.71 2jql s ASP 99 CO -0.11 -0.12 1.02 2.29 0.52 0.00 0.00 175.17 178.77 2jql n LYS 100 N 4.99 1.10 -4.25 4.34 2.85 -1.25 -5.09 118.16 120.84 2jql n LYS 100 Ca -0.14 -2.75 -0.15 0.00 -1.05 0.00 0.00 58.31 54.21 2jql n LYS 100 Cb 0.50 -1.03 -0.09 0.00 -0.65 0.00 0.00 35.03 33.76 2jql n LYS 100 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2jql s SER 101 N -2.24 0.85 -0.02 -5.58 0.01 -1.26 -4.79 113.70 100.66 2jql s SER 101 Ca 0.28 -1.54 0.06 0.00 1.31 0.00 0.00 55.95 56.06 2jql s SER 101 Cb 0.40 0.44 -0.08 0.00 0.21 0.00 0.00 66.02 66.98 2jql s SER 101 CO -0.03 -0.92 0.09 0.54 0.41 0.00 0.00 173.24 173.32 2jql n ARG 102 N -0.43 1.25 -0.22 12.44 3.00 -1.26 -4.62 116.66 126.81 2jql n ARG 102 Ca 0.04 -0.04 0.19 0.00 -0.01 0.00 0.00 57.85 58.03 2jql n ARG 102 Cb 0.65 -1.14 0.53 0.00 0.00 0.00 0.00 32.46 32.49 2jql n ARG 102 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2jql h ASN 103 N 0.00 0.37 0.00 0.55 4.21 -1.97 -3.47 115.58 115.27 2jql h ASN 103 Ca -0.05 0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.49 2jql h ASN 103 Cb 0.66 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.82 2jql h ASN 103 CO 0.00 0.16 0.00 0.61 -1.29 0.00 0.00 177.43 176.91 2jql n GLY 104 N -1.53 3.08 2.88 2.83 0.00 -1.26 -4.82 105.19 106.37 2jql n GLY 104 Ca 0.18 -1.25 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 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 0.76 -0.14 2.61 2.01 -1.26 -1.25 115.64 118.37 2jql s THR 105 Ca 0.00 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 61.86 2jql s THR 105 Cb 0.00 -0.80 0.01 0.00 0.01 0.00 0.00 72.50 71.72 2jql s THR 105 CO 0.00 0.31 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.68 2jql s PHE 106 N 1.49 2.54 -0.04 4.92 0.40 -0.17 -3.55 117.98 123.57 2jql s PHE 106 Ca -0.01 -1.31 0.06 0.00 -0.60 0.00 0.00 56.93 55.07 2jql s PHE 106 Cb -0.13 -1.75 -0.01 0.00 0.51 0.00 0.00 43.02 41.64 2jql s PHE 106 CO -0.04 -0.62 -0.21 -1.50 0.70 0.00 0.00 175.22 173.54 2jql s ILE 107 N 0.94 1.74 -1.86 0.64 1.10 -0.79 -0.33 121.20 122.65 2jql s ILE 107 Ca -0.05 -0.91 0.00 0.00 -0.51 0.00 0.00 60.65 59.18 2jql s ILE 107 Cb -0.15 -1.47 0.00 0.00 0.15 0.00 0.00 42.46 40.99 2jql s ILE 107 CO -0.04 0.49 0.00 0.59 -2.11 0.00 0.00 174.94 173.87 2jql n ASN 108 N 2.85 -5.88 -0.20 4.50 5.03 -0.51 -0.99 115.26 120.06 2jql n ASN 108 Ca -0.17 0.07 -0.03 0.00 0.87 0.00 0.00 54.58 55.32 2jql n ASN 108 Cb 0.52 -4.94 -0.01 0.00 -1.02 0.00 0.00 39.78 34.33 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 -0.92 0.52 3.03 7.41 0.00 -1.26 -4.99 105.19 108.98 2jql n GLY 109 Ca -0.24 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 2jql n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jql s ASN 110 N -2.28 1.30 0.20 1.61 2.47 -0.16 -5.12 114.94 112.96 2jql s ASN 110 Ca 0.00 -0.20 -0.31 0.00 0.42 0.00 0.00 52.86 52.77 2jql s ASN 110 Cb 0.00 -0.26 -0.10 0.00 -1.45 0.00 0.00 41.25 39.44 2jql s ASN 110 CO 0.00 0.10 1.49 0.00 -3.72 0.00 0.00 177.10 174.97 2jql s ARG 111 N -0.02 4.25 -0.03 0.43 3.03 -1.26 -1.88 118.95 123.48 2jql s ARG 111 Ca 0.00 2.30 -0.20 0.00 2.03 0.00 0.00 55.73 59.86 2jql s ARG 111 Cb -0.07 -3.14 -0.05 0.00 -1.03 0.00 0.00 34.95 30.66 2jql s ARG 111 CO 0.00 -0.50 0.59 -1.17 -1.13 0.00 0.00 175.30 173.09 2jql s LEU 112 N 0.41 4.39 0.00 -1.89 0.20 -1.23 -4.91 118.68 115.65 2jql s LEU 112 Ca 0.64 1.11 0.00 0.00 0.69 0.00 0.00 54.13 56.58 2jql s LEU 112 Cb -0.42 -2.90 0.00 0.00 -0.43 0.00 0.00 46.19 42.44 2jql s LEU 112 CO 0.37 0.07 0.00 1.33 -0.29 0.00 0.00 176.35 177.83 2jql n VAL 113 N 2.95 0.00 -0.80 1.68 0.24 -1.26 -4.98 118.33 116.16 2jql n VAL 113 Ca -0.06 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.92 2jql n VAL 113 Cb 0.51 -0.41 0.16 0.00 -1.47 0.00 0.00 33.84 32.62 2jql n VAL 113 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2jql n LYS 114 N -2.24 -0.27 -3.65 7.34 0.00 -1.26 -5.02 118.16 113.06 2jql n LYS 114 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 58.31 58.06 2jql n LYS 114 Cb 0.04 -2.37 -0.02 0.00 0.00 0.00 0.00 35.03 32.68 2jql n LYS 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2jql s LYS 115 N -4.44 3.49 -0.93 1.64 -2.85 -1.26 -4.62 119.74 110.77 2jql s LYS 115 Ca 0.68 -0.45 -0.04 0.00 -1.00 0.00 0.00 55.97 55.16 2jql s LYS 115 Cb -0.25 -2.79 -0.04 0.00 -2.06 0.00 0.00 37.83 32.70 2jql s LYS 115 CO 0.56 0.31 0.83 -3.47 0.10 0.00 0.00 175.35 173.68 2jql n ASP 116 N -1.29 -7.08 -4.77 0.03 2.03 -1.26 -4.97 116.55 99.24 2jql n ASP 116 Ca -0.06 -0.46 -0.40 0.00 0.52 0.00 0.00 54.79 54.39 2jql n ASP 116 Cb 0.56 -5.20 -0.06 0.00 -0.72 0.00 0.00 41.12 35.70 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 -3.23 3.86 -0.26 -0.67 5.04 -1.13 -4.95 117.35 116.02 2jql s TYR 117 Ca 0.27 1.60 -0.12 0.00 -2.44 0.00 0.00 57.07 56.39 2jql s TYR 117 Cb -0.04 -2.79 -0.05 0.00 0.35 0.00 0.00 41.96 39.43 2jql s TYR 117 CO 0.75 0.44 0.24 -1.50 -1.34 0.00 0.00 175.55 174.14 2jql s ILE 118 N -0.82 5.29 -0.13 3.14 1.10 -1.26 -0.44 121.20 128.07 2jql s ILE 118 Ca 0.37 0.30 -0.06 0.00 -0.51 0.00 0.00 60.65 60.75 2jql s ILE 118 Cb -0.22 -3.57 -0.04 0.00 0.15 0.00 0.00 42.46 38.77 2jql s ILE 118 CO 0.26 0.26 0.08 -0.22 -2.11 0.00 0.00 174.94 173.20 2jql s LEU 119 N 1.60 3.98 0.21 8.50 0.20 0.28 -4.92 118.68 128.53 2jql s LEU 119 Ca 0.10 0.25 0.11 0.00 0.69 0.00 0.00 54.13 55.28 2jql s LEU 119 Cb -0.15 -1.96 -0.05 0.00 -0.43 0.00 0.00 46.19 43.60 2jql s LEU 119 CO 0.09 0.33 -0.19 -0.54 -0.29 0.00 0.00 176.35 175.74 2jql s LYS 120 N -0.55 1.69 0.43 1.98 1.02 -1.26 -2.97 119.74 120.08 2jql s LYS 120 Ca 0.11 -1.53 -0.22 0.00 0.02 0.00 0.00 55.97 54.35 2jql s LYS 120 Cb -0.12 -1.90 -0.09 0.00 -0.52 0.00 0.00 37.83 35.20 2jql s LYS 120 CO 0.02 0.39 1.00 -0.80 -0.92 0.00 0.00 175.35 175.04 2jql s ASN 121 N -2.93 6.75 0.00 2.83 0.02 -1.26 -4.09 114.94 116.26 2jql s ASN 121 Ca 0.24 1.88 0.00 0.00 -1.02 0.00 0.00 52.86 53.96 2jql s ASN 121 Cb -0.07 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.63 2jql s ASN 121 CO 0.12 -0.50 0.00 0.61 0.02 0.00 0.00 177.10 177.36 2jql n GLY 122 N -0.10 0.98 3.28 0.66 0.00 0.56 -4.92 105.19 105.65 2jql n GLY 122 Ca 0.07 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 2jql n GLY 122 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jql s ASP 123 N -2.62 1.60 -0.22 1.61 1.11 -1.15 -4.99 116.67 112.02 2jql s ASP 123 Ca 0.00 -1.16 -0.10 0.00 0.18 0.00 0.00 52.55 51.47 2jql s ASP 123 Cb 0.00 0.04 -0.05 0.00 1.07 0.00 0.00 42.92 43.99 2jql s ASP 123 CO 0.00 -0.50 0.13 -0.60 1.18 0.00 0.00 175.17 175.38 2jql s ARG 124 N -3.86 4.07 -0.17 8.23 3.52 -1.26 -2.43 118.95 127.04 2jql s ARG 124 Ca 0.25 -0.28 0.01 0.00 -0.13 0.00 0.00 55.73 55.58 2jql s ARG 124 Cb 0.05 -3.44 0.01 0.00 -1.56 0.00 0.00 34.95 30.01 2jql s ARG 124 CO 0.05 0.16 -0.18 0.42 -0.81 0.00 0.00 175.30 174.95 2jql s ILE 125 N 0.76 2.32 -0.19 4.11 1.09 0.37 -1.42 121.20 128.24 2jql s ILE 125 Ca 0.07 -0.87 -0.03 0.00 -1.10 0.00 0.00 60.65 58.72 2jql s ILE 125 Cb -0.13 -1.98 -0.01 0.00 -1.06 0.00 0.00 42.46 39.28 2jql s ILE 125 CO 0.02 0.52 -0.05 -0.69 -0.10 0.00 0.00 174.94 174.64 2jql s VAL 126 N 1.14 3.45 -0.08 2.92 1.01 0.55 -1.40 120.40 127.99 2jql s VAL 126 Ca 0.01 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.55 2jql s VAL 126 Cb -0.14 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.70 2jql s VAL 126 CO -0.07 0.45 -0.23 -0.36 0.00 0.00 0.00 175.10 174.89 2jql s PHE 127 N 1.04 2.37 0.00 5.22 0.08 0.27 -1.00 117.98 125.97 2jql s PHE 127 Ca 0.01 -0.86 0.00 0.00 0.12 0.00 0.00 56.93 56.20 2jql s PHE 127 Cb -0.15 -1.58 0.00 0.00 -0.57 0.00 0.00 43.02 40.72 2jql s PHE 127 CO -0.00 -0.32 0.00 0.41 -0.10 0.00 0.00 175.22 175.21 2jql n GLY 128 N 3.31 1.98 0.00 4.36 0.00 -0.38 -3.41 105.19 111.05 2jql n GLY 128 Ca -0.19 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 1.61 0.00 -1.26 -4.46 118.16 114.04 2jql n LYS 129 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2jql n LYS 129 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2jql n LYS 129 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2jql n SER 130 N 0.00 4.02 -4.50 -5.58 3.41 -1.26 -4.99 113.62 104.72 2jql n SER 130 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 2jql n SER 130 Cb 0.00 0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 63.97 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 9.32 2.40 0.04 0.00 1.04 -1.26 -0.56 113.70 124.69 2jql s SER 132 Ca 1.09 -0.40 -0.03 0.00 0.48 0.00 0.00 55.95 57.09 2jql s SER 132 Cb -0.64 -0.68 -0.02 0.00 0.10 0.00 0.00 66.02 64.77 2jql s SER 132 CO 0.40 0.17 0.04 0.72 0.98 0.00 0.00 173.24 175.56 2jql s PHE 133 N 0.01 0.31 -0.27 5.02 -0.71 -0.49 0.42 117.98 122.26 2jql s PHE 133 Ca -0.04 -0.70 -0.02 0.00 -1.04 0.00 0.00 56.93 55.13 2jql s PHE 133 Cb -0.12 -0.22 0.04 0.00 -1.21 0.00 0.00 43.02 41.50 2jql s PHE 133 CO 0.03 -0.35 -0.03 -1.17 -1.34 0.00 0.00 175.22 172.35 2jql s LEU 134 N -2.32 3.51 0.04 -1.99 1.98 0.82 -0.48 118.68 120.24 2jql s LEU 134 Ca -0.02 -1.05 -0.16 0.00 -2.89 0.00 0.00 54.13 50.01 2jql s LEU 134 Cb 0.01 -1.69 -0.06 0.00 0.66 0.00 0.00 46.19 45.11 2jql s LEU 134 CO -0.06 -0.19 0.47 0.12 -1.89 0.00 0.00 176.35 174.80 2jql s PHE 135 N 1.29 3.73 0.10 5.38 5.36 -1.02 -2.56 117.98 130.26 2jql s PHE 135 Ca -0.02 1.07 -0.19 0.00 -0.96 0.00 0.00 56.93 56.83 2jql s PHE 135 Cb -0.18 -2.35 0.04 0.00 -0.34 0.00 0.00 43.02 40.19 2jql s PHE 135 CO -0.03 0.60 0.45 0.15 -1.46 0.00 0.00 175.22 174.93 2jql s LYS 136 N -1.25 1.06 0.28 10.12 1.02 -1.16 0.21 119.74 130.01 2jql s LYS 136 Ca 0.28 -0.51 -0.29 0.00 0.02 0.00 0.00 55.97 55.47 2jql s LYS 136 Cb -0.17 0.47 -0.09 0.00 -0.52 0.00 0.00 37.83 37.52 2jql s LYS 136 CO 0.16 -0.41 1.04 0.71 -0.92 0.00 0.00 175.35 175.94 2jql s TYR 137 N -3.26 3.67 -0.25 3.18 2.02 -1.26 -2.83 117.35 118.62 2jql s TYR 137 Ca -0.01 1.76 0.10 0.00 -0.37 0.00 0.00 57.07 58.55 2jql s TYR 137 Cb 0.00 -3.16 0.45 0.00 -0.40 0.00 0.00 41.96 38.85 2jql s TYR 137 CO -0.08 -0.24 1.29 0.00 -1.57 0.00 0.00 175.55 174.95 2jql n ALA 138 N 1.10 4.08 -0.09 3.71 0.00 -0.33 -4.48 120.51 124.50 2jql n ALA 138 Ca -0.01 -3.34 -0.10 0.00 0.00 0.00 0.00 53.44 49.99 2jql n ALA 138 Cb 0.46 -0.47 -0.14 0.00 0.00 0.00 0.00 19.45 19.30 2jql n ALA 138 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jql n SER 139 N -1.06 0.74 -2.86 0.00 2.88 -1.21 -4.78 113.62 107.33 2jql n SER 139 Ca 0.27 -0.01 -0.12 0.00 -1.33 0.00 0.00 58.87 57.68 2jql n SER 139 Cb 0.82 0.79 0.05 0.00 -0.75 0.00 0.00 64.21 65.13 2jql n SER 139 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2jql n SER 140 N -2.73 -1.22 -0.05 -3.46 3.41 -1.26 -4.99 113.62 103.33 2jql n SER 140 Ca -0.31 -3.37 -0.06 0.00 -0.26 0.00 0.00 58.87 54.87 2jql n SER 140 Cb 1.07 1.01 -0.02 0.00 -0.26 0.00 0.00 64.21 66.01 2jql n SER 140 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2jql n SER 141 N 0.25 1.55 0.00 4.04 3.41 -1.26 -4.99 113.62 116.62 2jql n SER 141 Ca 0.11 0.25 -0.01 0.00 -0.26 0.00 0.00 58.87 58.97 2jql n SER 141 Cb 0.70 -0.60 -0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2jql n SER 141 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2jql n SER 142 N -4.03 0.33 -2.71 4.04 2.88 -1.26 -5.11 113.62 107.75 2jql n SER 142 Ca -0.09 0.05 -0.03 0.00 -1.33 0.00 0.00 58.87 57.46 2jql n SER 142 Cb 0.34 -0.25 -0.03 0.00 -0.75 0.00 0.00 64.21 63.53 2jql n SER 142 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2jql n THR 143 N -2.81-11.22 -3.34 2.46 -1.04 -1.26 -5.04 114.28 92.02 2jql n THR 143 Ca -0.01 2.18 -0.13 0.00 -2.04 0.00 0.00 64.05 64.05 2jql n THR 143 Cb 0.04 -6.19 -0.07 0.00 -1.82 0.00 0.00 70.33 62.29 2jql n THR 143 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2jql s ASP 144 N -0.93 0.90 -0.26 8.00 1.01 -1.26 -4.99 116.67 119.14 2jql s ASP 144 Ca -0.17 -0.74 0.12 0.00 0.71 0.00 0.00 52.55 52.47 2jql s ASP 144 Cb 0.01 0.83 0.56 0.00 1.01 0.00 0.00 42.92 45.33 2jql s ASP 144 CO 0.69 -0.34 1.52 -0.38 0.21 0.00 0.00 175.17 176.87 2jql n ILE 145 N 5.11 2.54 -4.91 0.77 5.41 -1.26 -4.97 119.36 122.06 2jql n ILE 145 Ca 0.02 -2.18 -0.31 0.00 1.00 0.00 0.00 62.75 61.28 2jql n ILE 145 Cb 0.48 -0.31 -0.14 0.00 -0.71 0.00 0.00 39.64 38.96 2jql n ILE 145 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2jql s GLU 146 N -3.05 2.00 -0.33 0.38 2.02 -1.26 -5.11 118.70 113.34 2jql s GLU 146 Ca 0.46 -1.01 -0.09 0.00 0.02 0.00 0.00 54.97 54.35 2jql s GLU 146 Cb 0.39 -2.09 0.01 0.00 0.10 0.00 0.00 34.13 32.55 2jql s GLU 146 CO 0.06 0.54 0.15 -0.80 0.02 0.00 0.00 175.26 175.23 2jql s ASN 147 N -1.14 5.51 0.43 -0.19 0.01 -1.26 -5.09 114.94 113.22 2jql s ASN 147 Ca 0.12 -0.80 0.07 0.00 -0.71 0.00 0.00 52.86 51.55 2jql s ASN 147 Cb -0.10 -1.97 -0.01 0.00 0.41 0.00 0.00 41.25 39.57 2jql s ASN 147 CO 0.02 -0.28 0.37 -0.62 -1.51 0.00 0.00 177.10 175.09 2jql s ASP 148 N 1.55 4.94 0.18 -1.22 2.15 -1.26 -5.14 116.67 117.87 2jql s ASP 148 Ca 0.03 -0.84 0.06 0.00 0.43 0.00 0.00 52.55 52.23 2jql s ASP 148 Cb -0.18 -0.43 -0.04 0.00 -0.30 0.00 0.00 42.92 41.97 2jql s ASP 148 CO 0.05 -0.71 0.08 -0.62 -0.17 0.00 0.00 175.17 173.81 2jql s ASP 149 N -4.14 5.19 -0.21 -0.34 -1.08 -1.26 -5.06 116.67 109.77 2jql s ASP 149 Ca 0.46 -0.27 -0.16 0.00 -0.52 0.00 0.00 52.55 52.06 2jql s ASP 149 Cb -0.02 -1.25 -0.10 0.00 -1.46 0.00 0.00 42.92 40.09 2jql s ASP 149 CO 0.27 0.06 -0.17 -0.62 0.52 0.00 0.00 175.17 175.23 2jql n GLU 150 N -0.39 0.54 -1.29 4.34 1.02 -1.26 -4.99 120.64 118.61 2jql n GLU 150 Ca -0.09 0.39 -0.29 0.00 -0.02 0.00 0.00 57.16 57.15 2jql n GLU 150 Cb 0.55 -1.59 0.18 0.00 -0.02 0.00 0.00 31.44 30.56 2jql n GLU 150 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2jql s LYS 151 N -2.51 0.31 -0.25 3.49 -2.85 -1.26 -5.09 119.74 111.58 2jql s LYS 151 Ca -0.29 0.30 -0.26 0.00 -1.00 0.00 0.00 55.97 54.72 2jql s LYS 151 Cb 0.07 -1.74 0.11 0.00 -2.06 0.00 0.00 37.83 34.21 2jql s LYS 151 CO 0.44 -2.76 0.93 0.54 0.10 0.00 0.00 175.35 174.60 2jql s VAL 152 N -3.10 0.00 -0.11 1.79 0.11 -1.26 -5.17 120.40 112.66 2jql s VAL 152 Ca 0.66 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.65 2jql s VAL 152 Cb -0.15 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.74 2jql s VAL 152 CO 0.56 0.00 0.26 -0.94 -3.33 0.00 0.00 175.10 171.65 2jql s SER 153 N 0.05 -0.29 0.03 3.54 1.04 -1.26 -5.06 113.70 111.75 2jql s SER 153 Ca 0.01 0.56 0.00 0.00 0.48 0.00 0.00 55.95 57.00 2jql s SER 153 Cb -0.04 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2jql s SER 153 CO -0.03 -0.15 0.00 -1.54 0.98 0.00 0.00 173.24 172.50 2jql n SER 154 N 3.96 -9.59 -0.05 7.02 3.41 -1.26 -4.97 113.62 112.15 2jql n SER 154 Ca -0.23 1.87 -0.20 0.00 -0.26 0.00 0.00 58.87 60.06 2jql n SER 154 Cb 0.54 -5.24 -0.13 0.00 -0.26 0.00 0.00 64.21 59.12 2jql n SER 154 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2jql h GLU 155 N 4.33 0.11 0.00 4.33 3.07 -2.06 -3.50 114.58 120.86 2jql h GLU 155 Ca 0.00 -0.19 0.19 0.00 -0.50 0.00 0.00 59.36 58.86 2jql h GLU 155 Cb 0.00 0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 27.93 2jql h GLU 155 CO 0.00 1.09 -0.26 0.45 -1.40 0.00 0.00 179.01 178.90 2jql n SER 156 N -4.22 -7.22 0.00 1.42 2.88 -1.26 -4.98 113.62 100.23 2jql n SER 156 Ca -0.24 0.77 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 2jql n SER 156 Cb 0.75 -2.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.05 2jql n SER 156 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2jql n ARG 157 N -3.09 0.00 -5.07 -1.46 0.63 -1.26 -5.12 116.66 101.29 2jql n ARG 157 Ca 0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 2jql n ARG 157 Cb 0.33 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 33.07 2jql n ARG 157 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2jql s SER 158 N -1.53 2.78 0.00 6.15 1.04 -1.26 -5.37 113.70 115.51 2jql s SER 158 Ca 0.00 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.93 2jql s SER 158 Cb 0.00 -1.25 0.00 0.00 0.10 0.00 0.00 66.02 64.87 2jql s SER 158 CO 0.00 0.13 0.00 0.00 0.98 0.00 0.00 173.24 174.35