#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gkb n SER 7 N 0.00 0.71 -0.02 7.72 3.41 -1.26 -4.26 113.62 119.91 3gkb n SER 7 Ca 0.00 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 3gkb n SER 7 Cb 0.00 0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3gkb n SER 7 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3gkb n THR 8 N -2.29 0.00 -3.65 6.66 -2.24 -1.26 -4.81 114.28 106.69 3gkb n THR 8 Ca 0.01 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.20 3gkb n THR 8 Cb 0.49 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.71 3gkb n THR 8 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 3gkb s LEU 9 N -0.61 -0.37 0.04 3.22 0.05 -1.26 -0.77 118.68 118.99 3gkb s LEU 9 Ca 0.01 -0.32 0.05 0.00 0.05 0.00 0.00 54.13 53.92 3gkb s LEU 9 Cb 0.01 2.61 -0.02 0.00 -2.05 0.00 0.00 46.19 46.73 3gkb s LEU 9 CO 0.01 -1.15 -0.14 -0.13 -0.55 0.00 0.00 176.35 174.40 3gkb s ARG 10 N -3.84 0.92 -0.02 1.48 0.52 -0.40 -4.35 118.95 113.27 3gkb s ARG 10 Ca 0.06 -0.73 0.05 0.00 -0.52 0.00 0.00 55.73 54.59 3gkb s ARG 10 Cb -0.03 -0.92 -0.01 0.00 0.52 0.00 0.00 34.95 34.50 3gkb s ARG 10 CO -0.03 0.23 -0.17 0.08 0.02 0.00 0.00 175.30 175.43 3gkb s VAL 11 N -0.82 1.36 0.03 3.52 1.01 -1.26 -0.92 120.40 123.32 3gkb s VAL 11 Ca 0.01 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 3gkb s VAL 11 Cb -0.08 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 3gkb s VAL 11 CO 0.01 0.39 0.10 -0.94 0.00 0.00 0.00 175.10 174.65 3gkb s SER 12 N -0.37 0.16 -0.04 3.32 1.04 -0.83 -4.99 113.70 111.98 3gkb s SER 12 Ca 0.06 -0.49 -0.10 0.00 0.48 0.00 0.00 55.95 55.90 3gkb s SER 12 Cb -0.07 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.29 3gkb s SER 12 CO -0.00 -0.48 0.22 -0.94 0.98 0.00 0.00 173.24 173.02 3gkb s SER 13 N -2.01 -0.14 -0.18 7.02 1.04 -1.26 -0.17 113.70 118.01 3gkb s SER 13 Ca -0.07 0.13 -0.29 0.00 0.48 0.00 0.00 55.95 56.20 3gkb s SER 13 Cb -0.02 0.34 0.12 0.00 0.10 0.00 0.00 66.02 66.56 3gkb s SER 13 CO -0.04 -0.29 0.98 -0.70 0.98 0.00 0.00 173.24 174.18 3gkb s GLU 14 N -0.81 0.61 -1.51 4.02 2.12 -0.81 -4.97 118.70 117.35 3gkb s GLU 14 Ca -0.09 0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.49 3gkb s GLU 14 Cb -0.05 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.63 3gkb s GLU 14 CO 0.02 -0.17 0.00 0.72 -0.54 0.00 0.00 175.26 175.29 3gkb n HIS 15 N 1.05 -0.93 -0.74 5.30 8.25 -1.26 -1.40 115.22 125.48 3gkb n HIS 15 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 3gkb n HIS 15 Cb 0.57 -3.25 0.00 0.00 1.12 0.00 0.00 29.99 28.44 3gkb n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gkb n GLY 16 N -0.74 0.77 3.21 -1.41 0.00 -1.25 -4.84 105.19 100.93 3gkb n GLY 16 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 3gkb n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gkb s VAL 17 N -2.89 2.49 -0.06 1.61 1.01 -0.49 -0.71 120.40 121.37 3gkb s VAL 17 Ca 0.00 -0.81 -0.14 0.00 0.00 0.00 0.00 61.98 61.03 3gkb s VAL 17 Cb 0.00 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 3gkb s VAL 17 CO 0.00 0.51 0.38 0.00 0.00 0.00 0.00 175.10 175.99 3gkb s ALA 18 N 1.10 3.66 -0.20 5.51 0.00 0.19 -1.93 121.76 130.10 3gkb s ALA 18 Ca 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 51.96 51.64 3gkb s ALA 18 Cb -0.14 -2.39 -0.01 0.00 0.00 0.00 0.00 23.12 20.57 3gkb s ALA 18 CO -0.06 0.35 -0.06 1.03 0.00 0.00 0.00 175.76 177.03 3gkb s ARG 19 N -0.54 3.42 -0.27 0.00 0.52 0.76 -0.74 118.95 122.11 3gkb s ARG 19 Ca 0.22 -0.62 -0.05 0.00 -0.52 0.00 0.00 55.73 54.76 3gkb s ARG 19 Cb -0.15 -2.94 0.01 0.00 0.52 0.00 0.00 34.95 32.39 3gkb s ARG 19 CO 0.10 -0.07 0.03 0.42 0.02 0.00 0.00 175.30 175.81 3gkb s ILE 20 N 1.13 3.71 -0.24 1.52 1.01 0.13 -1.97 121.20 126.48 3gkb s ILE 20 Ca 0.02 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 59.94 3gkb s ILE 20 Cb -0.15 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 3gkb s ILE 20 CO -0.01 0.18 0.03 -0.63 0.00 0.00 0.00 174.94 174.52 3gkb s ILE 21 N 1.48 3.93 -0.14 2.92 1.01 -0.09 -1.42 121.20 128.89 3gkb s ILE 21 Ca 0.03 -0.34 -0.23 0.00 0.00 0.00 0.00 60.65 60.10 3gkb s ILE 21 Cb -0.16 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 3gkb s ILE 21 CO 0.00 0.34 0.73 -0.76 0.00 0.00 0.00 174.94 175.25 3gkb s LEU 22 N 1.55 4.22 -0.40 2.97 1.43 0.16 -1.27 118.68 127.34 3gkb s LEU 22 Ca 0.06 1.09 0.05 0.00 -1.03 0.00 0.00 54.13 54.30 3gkb s LEU 22 Cb -0.15 -3.08 0.17 0.00 0.03 0.00 0.00 46.19 43.15 3gkb s LEU 22 CO 0.01 -0.25 0.48 -0.62 0.23 0.00 0.00 176.35 176.19 3gkb s ASP 23 N 1.03 0.20 -0.47 2.29 -1.08 0.05 -0.66 116.67 118.03 3gkb s ASP 23 Ca 0.35 -1.47 0.04 0.00 -0.52 0.00 0.00 52.55 50.96 3gkb s ASP 23 Cb -0.17 1.01 0.17 0.00 -1.46 0.00 0.00 42.92 42.48 3gkb s ASP 23 CO 0.14 -0.21 0.38 -3.20 0.52 0.00 0.00 175.17 172.80 3gkb n ASN 24 N 4.09 0.24 -4.56 -0.34 5.15 -1.25 -4.05 115.26 114.52 3gkb n ASN 24 Ca 0.13 -2.55 -0.36 0.00 -0.60 0.00 0.00 54.58 51.19 3gkb n ASN 24 Cb 0.49 -0.59 0.07 0.00 -0.53 0.00 0.00 39.78 39.22 3gkb n ASN 24 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3gkb n PRO 25 N 2.60 0.54 0.03 1.20 -0.02 -1.26 -1.51 135.00 136.58 3gkb n PRO 25 Ca 0.28 0.23 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 3gkb n PRO 25 Cb 0.46 -2.06 0.16 0.00 -0.02 0.00 0.00 33.50 32.04 3gkb n PRO 25 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3gkb n PRO 26 N -1.22 0.19 -0.31 0.52 -0.04 -1.26 -4.75 135.00 128.13 3gkb n PRO 26 Ca 0.12 0.04 0.01 0.00 -0.04 0.00 0.00 63.50 63.64 3gkb n PRO 26 Cb 0.49 -1.60 0.02 0.00 -0.04 0.00 0.00 33.50 32.37 3gkb n PRO 26 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3gkb n VAL 27 N -1.87 0.33 -3.58 0.52 0.24 -1.24 -4.75 118.33 107.99 3gkb n VAL 27 Ca 0.04 -0.39 -0.21 0.00 -2.04 0.00 0.00 64.34 61.74 3gkb n VAL 27 Cb 0.40 0.49 0.07 0.00 -1.47 0.00 0.00 33.84 33.33 3gkb n VAL 27 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3gkb n ASN 28 N -0.24 -2.89 -4.76 -1.34 4.13 -0.57 -3.33 115.26 106.26 3gkb n ASN 28 Ca 0.02 -0.67 -0.35 0.00 1.68 0.00 0.00 54.58 55.26 3gkb n ASN 28 Cb 0.63 -4.73 0.02 0.00 -1.54 0.00 0.00 39.78 34.16 3gkb n ASN 28 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 3gkb s VAL 29 N -3.43 2.89 -0.60 2.41 -7.23 -1.26 -1.36 120.40 111.82 3gkb s VAL 29 Ca 0.17 0.55 -0.20 0.00 -1.81 0.00 0.00 61.98 60.68 3gkb s VAL 29 Cb -0.08 -3.21 0.08 0.00 0.56 0.00 0.00 36.38 33.74 3gkb s VAL 29 CO 0.76 -0.13 0.80 -0.63 -0.31 0.00 0.00 175.10 175.59 3gkb s ILE 30 N -1.71 4.63 0.50 -0.62 1.01 -0.25 -4.89 121.20 119.87 3gkb s ILE 30 Ca 0.75 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 60.80 3gkb s ILE 30 Cb -0.27 -4.54 0.07 0.00 0.01 0.00 0.00 42.46 37.73 3gkb s ILE 30 CO 0.31 -1.21 0.61 0.61 0.00 0.00 0.00 174.94 175.26 3gkb n GLY 31 N 5.28 2.17 0.34 6.18 0.00 -1.26 -0.60 105.19 117.30 3gkb n GLY 31 Ca -0.07 -2.23 -0.01 0.00 0.00 0.00 0.00 46.02 43.71 3gkb n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkb h ALA 32 N 0.30 1.35 -0.27 4.61 0.00 -1.96 -1.41 119.26 121.88 3gkb h ALA 32 Ca -0.25 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 3gkb h ALA 32 Cb 1.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3gkb h ALA 32 CO 0.37 0.53 0.09 1.15 0.00 0.00 0.00 179.25 181.40 3gkb h THR 33 N 0.99 1.19 -0.76 0.00 2.02 -1.97 -1.88 112.91 112.50 3gkb h THR 33 Ca 0.25 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 3gkb h THR 33 Cb 0.02 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 3gkb h THR 33 CO -0.04 0.20 0.43 -0.03 0.37 0.00 0.00 175.52 176.44 3gkb h MET 34 N 0.28 1.05 -0.84 6.66 -1.53 -1.84 -0.72 114.93 117.99 3gkb h MET 34 Ca 0.09 -0.12 0.05 0.00 -3.44 0.00 0.00 59.70 56.28 3gkb h MET 34 Cb 0.22 -0.21 -0.06 0.00 -0.55 0.00 0.00 31.60 31.00 3gkb h MET 34 CO -0.00 0.77 0.52 0.52 0.14 0.00 0.00 176.91 178.86 3gkb h MET 35 N 1.05 0.95 -0.28 0.39 0.00 -1.09 0.19 114.93 116.14 3gkb h MET 35 Ca 0.27 -0.06 -0.16 0.00 0.00 0.00 0.00 59.70 59.75 3gkb h MET 35 Cb 0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 31.60 31.40 3gkb h MET 35 CO -0.04 0.63 -0.47 -0.09 0.00 0.00 0.00 176.91 176.94 3gkb h ARG 36 N 0.98 0.81 -0.38 1.72 2.43 -0.92 -2.60 114.38 116.42 3gkb h ARG 36 Ca 0.36 -0.50 -0.15 0.00 -0.81 0.00 0.00 59.98 58.88 3gkb h ARG 36 Cb 0.12 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3gkb h ARG 36 CO -0.15 1.13 -0.35 0.93 -1.51 0.00 0.00 179.97 180.02 3gkb h GLU 37 N 0.58 0.88 -0.56 0.20 5.08 -0.68 -1.46 114.58 118.61 3gkb h GLU 37 Ca 0.02 -0.43 0.03 0.00 -1.00 0.00 0.00 59.36 57.97 3gkb h GLU 37 Cb 1.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 3gkb h GLU 37 CO 0.11 1.08 0.33 -0.07 -1.00 0.00 0.00 179.01 179.46 3gkb h LEU 38 N 0.73 0.54 -0.23 1.33 3.38 -0.67 -0.74 115.31 119.65 3gkb h LEU 38 Ca 0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3gkb h LEU 38 Cb 0.92 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3gkb h LEU 38 CO 0.08 0.38 0.15 -0.09 0.09 0.00 0.00 178.44 179.05 3gkb h ARG 39 N 0.66 0.30 -0.14 1.13 2.43 -1.17 -0.55 114.38 117.04 3gkb h ARG 39 Ca 0.23 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 3gkb h ARG 39 Cb 0.03 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 3gkb h ARG 39 CO -0.10 0.21 0.00 1.15 -1.51 0.00 0.00 179.97 179.72 3gkb h THR 40 N 0.31 0.90 -0.28 0.20 2.02 -1.03 -0.11 112.91 114.92 3gkb h THR 40 Ca 0.08 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.18 3gkb h THR 40 Cb -0.03 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3gkb h THR 40 CO -0.02 0.01 -0.07 0.58 0.37 0.00 0.00 175.52 176.39 3gkb h VAL 41 N 0.05 1.28 -0.31 3.16 2.07 -1.01 -1.47 116.25 120.02 3gkb h VAL 41 Ca 0.07 -1.10 -0.14 0.00 0.82 0.00 0.00 66.70 66.35 3gkb h VAL 41 Cb 0.08 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3gkb h VAL 41 CO -0.11 0.35 -0.36 -0.07 0.02 0.00 0.00 177.57 177.40 3gkb h LEU 42 N 0.30 0.76 -0.50 2.57 3.38 -1.05 -0.67 115.31 120.09 3gkb h LEU 42 Ca 0.07 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 3gkb h LEU 42 Cb 0.55 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3gkb h LEU 42 CO 0.03 1.04 0.14 0.74 0.09 0.00 0.00 178.44 180.48 3gkb h THR 43 N 0.60 1.23 -0.42 0.22 2.02 -0.96 -0.68 112.91 114.92 3gkb h THR 43 Ca 0.06 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 3gkb h THR 43 Cb 0.89 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 3gkb h THR 43 CO 0.08 0.29 0.21 0.74 0.37 0.00 0.00 175.52 177.21 3gkb h THR 44 N 0.68 1.17 -0.40 3.16 2.02 -1.11 -2.83 112.91 115.61 3gkb h THR 44 Ca 0.16 -0.48 -0.05 0.00 0.77 0.00 0.00 66.41 66.81 3gkb h THR 44 Cb 0.30 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 3gkb h THR 44 CO -0.00 0.19 0.03 -0.07 0.37 0.00 0.00 175.52 176.03 3gkb h LEU 45 N 0.54 0.57 -2.34 2.58 3.38 -0.91 -2.59 115.31 116.55 3gkb h LEU 45 Ca 0.14 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3gkb h LEU 45 Cb 0.11 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3gkb h LEU 45 CO -0.02 0.63 0.06 0.00 0.09 0.00 0.00 178.44 179.20 3gkb h ALA 46 N 1.45 1.68 -0.74 1.53 0.00 -0.86 0.13 119.26 122.44 3gkb h ALA 46 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3gkb h ALA 46 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3gkb h ALA 46 CO 0.01 -0.09 0.00 -0.25 0.00 0.00 0.00 179.25 178.92 3gkb n ASP 47 N -3.94 3.96 -4.33 0.00 8.00 -0.98 -4.86 116.55 114.41 3gkb n ASP 47 Ca -0.02 -2.00 -0.44 0.00 0.71 0.00 0.00 54.79 53.05 3gkb n ASP 47 Cb 0.16 -0.49 -0.07 0.00 -0.02 0.00 0.00 41.12 40.69 3gkb n ASP 47 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gkb s ASP 48 N -1.01 6.03 0.19 -2.24 -1.08 0.03 -4.94 116.67 113.66 3gkb s ASP 48 Ca 0.49 -1.53 0.21 0.00 -0.52 0.00 0.00 52.55 51.20 3gkb s ASP 48 Cb 0.26 -2.14 0.89 0.00 -1.46 0.00 0.00 42.92 40.46 3gkb s ASP 48 CO 0.34 -0.69 1.65 -1.54 0.52 0.00 0.00 175.17 175.45 3gkb n SER 49 N 5.14 0.50 0.00 -0.34 3.41 -1.26 -2.33 113.62 118.74 3gkb n SER 49 Ca -0.12 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.25 3gkb n SER 49 Cb 0.42 -0.73 0.65 0.00 -0.26 0.00 0.00 64.21 64.29 3gkb n SER 49 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gkb n SER 50 N -2.05 0.00 -4.21 4.04 3.41 -1.26 -4.77 113.62 108.77 3gkb n SER 50 Ca 0.02 0.17 -0.33 0.00 -0.26 0.00 0.00 58.87 58.48 3gkb n SER 50 Cb 0.22 -0.38 -0.16 0.00 -0.26 0.00 0.00 64.21 63.62 3gkb n SER 50 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3gkb s VAL 51 N -2.77 2.32 -0.01 -3.33 1.01 -0.99 -3.95 120.40 112.68 3gkb s VAL 51 Ca 0.20 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.36 3gkb s VAL 51 Cb 0.18 -1.95 -0.10 0.00 0.00 0.00 0.00 36.38 34.51 3gkb s VAL 51 CO 0.46 0.53 0.13 0.54 0.00 0.00 0.00 175.10 176.76 3gkb n ARG 52 N 4.06 0.52 -4.11 2.72 1.74 0.12 -4.84 116.66 116.86 3gkb n ARG 52 Ca -0.20 -0.05 -0.15 0.00 -0.77 0.00 0.00 57.85 56.68 3gkb n ARG 52 Cb 0.52 -1.16 -0.14 0.00 -1.02 0.00 0.00 32.46 30.66 3gkb n ARG 52 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gkb s VAL 53 N -2.43 0.40 -0.09 1.55 1.01 -0.87 -1.82 120.40 118.15 3gkb s VAL 53 Ca -0.03 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.59 3gkb s VAL 53 Cb 0.04 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 36.06 3gkb s VAL 53 CO 0.27 -0.01 -0.18 -0.63 0.00 0.00 0.00 175.10 174.56 3gkb s ILE 54 N -0.39 1.60 -0.18 2.22 1.01 0.43 -0.64 121.20 125.25 3gkb s ILE 54 Ca -0.01 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 3gkb s ILE 54 Cb -0.04 -1.42 -0.00 0.00 0.01 0.00 0.00 42.46 41.02 3gkb s ILE 54 CO -0.00 0.46 -0.13 -0.69 0.00 0.00 0.00 174.94 174.58 3gkb s VAL 55 N 0.56 2.77 -0.16 2.92 1.01 0.09 -0.75 120.40 126.84 3gkb s VAL 55 Ca -0.15 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 3gkb s VAL 55 Cb -0.17 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 3gkb s VAL 55 CO 0.05 0.50 0.24 -0.36 0.00 0.00 0.00 175.10 175.53 3gkb s PHE 56 N 1.05 3.47 0.22 5.22 0.08 -0.04 -0.69 117.98 127.29 3gkb s PHE 56 Ca -0.01 0.53 -0.03 0.00 0.12 0.00 0.00 56.93 57.55 3gkb s PHE 56 Cb -0.15 -2.25 -0.03 0.00 -0.57 0.00 0.00 43.02 40.02 3gkb s PHE 56 CO -0.03 0.32 0.21 -1.54 -0.10 0.00 0.00 175.22 174.08 3gkb s SER 57 N 0.22 0.19 0.02 1.36 1.04 -0.51 -1.26 113.70 114.76 3gkb s SER 57 Ca 0.14 -1.32 0.05 0.00 0.48 0.00 0.00 55.95 55.30 3gkb s SER 57 Cb -0.12 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 3gkb s SER 57 CO 0.03 -0.92 -0.12 -0.55 0.98 0.00 0.00 173.24 172.66 3gkb s SER 58 N -3.15 4.24 0.11 7.02 0.15 -1.26 -0.67 113.70 120.14 3gkb s SER 58 Ca 0.36 -0.27 0.26 0.00 0.70 0.00 0.00 55.95 57.00 3gkb s SER 58 Cb 0.05 -0.86 0.77 0.00 -1.71 0.00 0.00 66.02 64.27 3gkb s SER 58 CO 0.12 0.27 1.67 0.00 1.20 0.00 0.00 173.24 176.50 3gkb n ALA 59 N 1.57 2.60 -2.70 5.45 0.00 0.17 -4.86 120.51 122.74 3gkb n ALA 59 Ca -0.16 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.74 3gkb n ALA 59 Cb 0.52 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 3gkb n ALA 59 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gkb s ASP 60 N -3.89 7.07 0.43 0.00 -1.08 -1.26 -4.95 116.67 112.99 3gkb s ASP 60 Ca 0.11 1.29 0.30 0.00 -0.52 0.00 0.00 52.55 53.73 3gkb s ASP 60 Cb 0.15 -2.46 1.40 0.00 -1.46 0.00 0.00 42.92 40.55 3gkb s ASP 60 CO 0.62 -0.23 1.91 1.55 0.52 0.00 0.00 175.17 179.54 3gkb h PRO 61 N 6.93 0.00 0.00 4.34 0.13 -1.97 -3.31 132.00 138.13 3gkb h PRO 61 Ca -0.38 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.70 3gkb h PRO 61 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3gkb h PRO 61 CO 0.78 0.00 -1.20 -1.91 -0.23 0.00 0.00 178.00 175.44 3gkb n GLU 62 N -2.66 3.40 -5.19 0.86 2.13 -1.26 -4.85 120.64 113.07 3gkb n GLU 62 Ca 0.00 -0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 3gkb n GLU 62 Cb 0.19 -1.07 -0.16 0.00 0.27 0.00 0.00 31.44 30.66 3gkb n GLU 62 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 3gkb s PHE 63 N -2.07 2.55 -0.05 4.31 0.08 -1.25 -0.78 117.98 120.77 3gkb s PHE 63 Ca -0.02 -0.88 -0.05 0.00 0.12 0.00 0.00 56.93 56.10 3gkb s PHE 63 Cb 0.01 -1.68 -0.03 0.00 -0.57 0.00 0.00 43.02 40.75 3gkb s PHE 63 CO 0.12 -0.31 0.28 0.35 -0.10 0.00 0.00 175.22 175.55 3gkb h PHE 64 N 6.45 -0.18 -2.80 0.36 3.57 -1.05 -3.38 116.94 119.91 3gkb h PHE 64 Ca -0.25 -0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.03 3gkb h PHE 64 Cb 1.21 0.06 -0.33 0.00 2.79 0.00 0.00 35.95 39.69 3gkb h PHE 64 CO 0.46 -0.11 -0.53 -0.51 -2.23 0.00 0.00 178.31 175.38 3gkb s LEU 65 N -7.47 -0.31 0.09 0.59 1.43 -1.21 -4.81 118.68 107.00 3gkb s LEU 65 Ca -0.03 0.53 -0.21 0.00 -1.03 0.00 0.00 54.13 53.39 3gkb s LEU 65 Cb 0.00 0.70 -0.11 0.00 0.03 0.00 0.00 46.19 46.81 3gkb s LEU 65 CO 0.08 -0.25 1.70 0.00 0.23 0.00 0.00 176.35 178.11 3gkb h ALA 66 N 8.29 0.14 0.00 4.21 0.00 -1.21 -2.92 119.26 127.77 3gkb h ALA 66 Ca -0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3gkb h ALA 66 Cb 1.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3gkb h ALA 66 CO 0.15 -0.33 0.00 -2.39 0.00 0.00 0.00 179.25 176.68 3gkb n HIS 67 N -4.97 0.00 -2.31 0.00 1.44 -1.21 -2.70 115.22 105.47 3gkb n HIS 67 Ca -0.05 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.26 3gkb n HIS 67 Cb 0.06 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.15 3gkb n HIS 67 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3gkb s VAL 68 N -1.96 3.15 -0.10 0.61 1.01 -1.26 -1.09 120.40 120.76 3gkb s VAL 68 Ca 0.00 1.08 -0.36 0.00 0.00 0.00 0.00 61.98 62.70 3gkb s VAL 68 Cb 0.00 -3.65 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 3gkb s VAL 68 CO 0.00 0.19 1.77 -0.67 0.00 0.00 0.00 175.10 176.39 3gkb n ASP 69 N 0.61 3.00 0.14 3.32 2.03 0.24 -4.81 116.55 121.07 3gkb n ASP 69 Ca 0.01 1.02 0.12 0.00 0.52 0.00 0.00 54.79 56.47 3gkb n ASP 69 Cb 0.45 -1.30 0.49 0.00 -0.72 0.00 0.00 41.12 40.04 3gkb n ASP 69 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 3gkb h MET 70 N 7.94 0.00 -0.55 -0.67 2.86 -1.91 -1.95 114.93 120.65 3gkb h MET 70 Ca -0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 3gkb h MET 70 Cb 1.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.95 3gkb h MET 70 CO 0.93 0.00 0.00 0.54 1.06 0.00 0.00 176.91 179.44 3gkb n ARG 71 N -2.31 2.35 0.30 1.72 1.74 -1.26 -4.57 116.66 114.63 3gkb n ARG 71 Ca 0.03 -2.10 0.17 0.00 -0.77 0.00 0.00 57.85 55.18 3gkb n ARG 71 Cb 0.27 -1.46 0.93 0.00 -1.02 0.00 0.00 32.46 31.17 3gkb n ARG 71 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3gkb h ILE 72 N 3.51 0.33 -0.00 0.55 2.10 -1.72 -1.51 117.51 120.77 3gkb h ILE 72 Ca 0.00 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.72 3gkb h ILE 72 Cb 0.80 1.16 0.00 0.00 -1.09 0.00 0.00 36.82 37.68 3gkb h ILE 72 CO 0.00 0.04 -0.15 0.61 -1.08 0.00 0.00 178.15 177.57 3gkb n GLY 73 N -0.92 -0.90 0.20 8.18 0.00 -1.26 -3.58 105.19 106.90 3gkb n GLY 73 Ca -0.02 -0.29 0.09 0.00 0.00 0.00 0.00 46.02 45.79 3gkb n GLY 73 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gkb h GLU 74 N 0.67 0.00 -2.88 1.61 5.08 -1.61 -3.37 114.58 114.08 3gkb h GLU 74 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 3gkb h GLU 74 Cb 0.40 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.23 3gkb h GLU 74 CO 0.00 0.21 -0.66 1.63 -1.00 0.00 0.00 179.01 179.19 3gkb n LYS 75 N -3.19 1.53 0.24 2.33 5.02 -1.23 -4.96 118.16 117.89 3gkb n LYS 75 Ca 0.02 -4.22 0.10 0.00 -2.02 0.00 0.00 58.31 52.19 3gkb n LYS 75 Cb 0.56 -2.15 0.60 0.00 -0.02 0.00 0.00 35.03 34.02 3gkb n LYS 75 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 3gkb h MET 76 N 5.35 0.00 -0.70 1.97 2.86 -1.79 -2.63 114.93 120.00 3gkb h MET 76 Ca 0.18 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.85 3gkb h MET 76 Cb 0.78 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.40 3gkb h MET 76 CO 0.65 0.19 0.44 0.38 1.06 0.00 0.00 176.91 179.62 3gkb h ASP 77 N 0.00 0.71 -0.63 1.22 2.03 -1.94 2.07 116.42 119.88 3gkb h ASP 77 Ca -0.00 -0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.22 3gkb h ASP 77 Cb 0.45 -0.15 -0.03 0.00 -0.83 0.00 0.00 39.33 38.77 3gkb h ASP 77 CO 0.02 0.50 0.11 0.00 -1.03 0.00 0.00 179.24 178.84 3gkb h ALA 78 N 1.30 0.97 -0.17 4.15 0.00 -1.86 -2.17 119.26 121.48 3gkb h ALA 78 Ca 0.28 -0.26 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 3gkb h ALA 78 Cb 0.02 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.57 3gkb h ALA 78 CO -0.11 0.65 -0.71 1.25 0.00 0.00 0.00 179.25 180.33 3gkb h LEU 79 N 0.99 0.92 -1.28 0.00 5.85 -1.29 -2.92 115.31 117.57 3gkb h LEU 79 Ca 0.20 -0.62 0.06 0.00 0.84 0.00 0.00 57.88 58.37 3gkb h LEU 79 Cb 0.42 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3gkb h LEU 79 CO 0.01 1.38 0.52 1.56 -0.34 0.00 0.00 178.44 181.57 3gkb h GLN 80 N 0.51 0.84 -0.45 1.25 7.50 0.35 -0.08 115.11 125.04 3gkb h GLN 80 Ca -0.04 -0.05 -0.09 0.00 0.50 0.00 0.00 58.65 58.97 3gkb h GLN 80 Cb 1.34 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 28.67 3gkb h GLN 80 CO 0.15 0.56 -0.08 1.05 -1.50 0.00 0.00 178.83 179.01 3gkb h GLU 81 N 0.87 0.84 -0.43 1.46 -0.00 -1.33 -2.34 114.58 113.66 3gkb h GLU 81 Ca 0.34 -0.31 -0.03 0.00 -0.00 0.00 0.00 59.36 59.36 3gkb h GLU 81 Cb 0.22 -0.06 -0.02 0.00 -0.00 0.00 0.00 28.75 28.90 3gkb h GLU 81 CO -0.12 0.94 0.14 -0.07 -0.00 0.00 0.00 179.01 179.90 3gkb h LEU 82 N 0.68 0.62 -1.99 3.06 3.38 -1.28 -3.07 115.31 116.72 3gkb h LEU 82 Ca 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3gkb h LEU 82 Cb 0.61 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3gkb h LEU 82 CO 0.04 0.66 -0.10 0.00 0.09 0.00 0.00 178.44 179.12 3gkb h ALA 83 N 0.99 1.30 0.00 1.53 0.00 -0.85 -2.20 119.26 120.02 3gkb h ALA 83 Ca 0.14 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3gkb h ALA 83 Cb 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3gkb h ALA 83 CO -0.01 0.13 -0.54 0.00 0.00 0.00 0.00 179.25 178.83 3gkb h ALA 84 N 1.90 0.78 -0.01 0.00 0.00 -1.32 -3.12 119.26 117.49 3gkb h ALA 84 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3gkb h ALA 84 Cb 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3gkb h ALA 84 CO 0.01 0.68 -0.23 0.43 0.00 0.00 0.00 179.25 180.15 3gkb n SER 85 N -3.43 1.59 -4.76 0.00 7.64 -0.85 -4.97 113.62 108.84 3gkb n SER 85 Ca 0.00 -1.29 -0.38 0.00 1.01 0.00 0.00 58.87 58.21 3gkb n SER 85 Cb 0.66 0.17 0.01 0.00 -1.01 0.00 0.00 64.21 64.05 3gkb n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gkb s ALA 86 N -2.33 2.96 0.92 -0.43 0.00 -1.08 -5.00 121.76 116.80 3gkb s ALA 86 Ca 0.26 1.16 -0.11 0.00 0.00 0.00 0.00 51.96 53.28 3gkb s ALA 86 Cb 0.19 -3.48 0.15 0.00 0.00 0.00 0.00 23.12 19.98 3gkb s ALA 86 CO 0.47 -1.00 1.11 -2.14 0.00 0.00 0.00 175.76 174.20 3gkb s PRO 87 N -2.71 1.01 0.25 0.00 0.02 -1.26 -4.92 135.00 127.38 3gkb s PRO 87 Ca 0.66 1.27 -0.31 0.00 0.02 0.00 0.00 61.00 62.64 3gkb s PRO 87 Cb -0.35 -1.75 -0.13 0.00 0.02 0.00 0.00 34.50 32.29 3gkb s PRO 87 CO 0.43 -2.54 1.35 0.00 -0.33 0.00 0.00 177.00 175.90 3gkb n ALA 88 N -4.15 0.92 -1.46 -1.55 0.00 -1.26 -2.67 120.51 110.33 3gkb n ALA 88 Ca 0.09 0.41 -0.13 0.00 0.00 0.00 0.00 53.44 53.81 3gkb n ALA 88 Cb 0.53 -2.24 -0.05 0.00 0.00 0.00 0.00 19.45 17.69 3gkb n ALA 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gkb n ASP 89 N 1.87 -4.54 -3.85 0.00 8.00 -1.26 -4.97 116.55 111.81 3gkb n ASP 89 Ca 0.11 0.29 -0.21 0.00 0.71 0.00 0.00 54.79 55.69 3gkb n ASP 89 Cb 0.32 -3.24 -0.17 0.00 -0.02 0.00 0.00 41.12 38.01 3gkb n ASP 89 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gkb s VAL 90 N -2.50 0.49 0.90 2.53 1.01 -1.09 -4.49 120.40 117.24 3gkb s VAL 90 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 3gkb s VAL 90 Cb 0.00 -0.57 0.13 0.00 0.00 0.00 0.00 36.38 35.95 3gkb s VAL 90 CO 0.00 0.24 1.17 0.54 0.00 0.00 0.00 175.10 177.06 3gkb s ASN 91 N 1.36 3.66 0.44 3.32 2.20 -1.26 -4.45 114.94 120.21 3gkb s ASN 91 Ca -0.04 0.80 0.11 0.00 -0.94 0.00 0.00 52.86 52.79 3gkb s ASN 91 Cb -0.13 -1.27 0.99 0.00 -2.00 0.00 0.00 41.25 38.83 3gkb s ASN 91 CO -0.02 -2.44 2.06 1.62 -2.94 0.00 0.00 177.10 175.38 3gkb h VAL 92 N -1.42 1.03 0.15 3.54 3.04 -1.92 -0.15 116.25 120.52 3gkb h VAL 92 Ca -0.48 -0.14 -0.22 0.00 -1.01 0.00 0.00 66.70 64.86 3gkb h VAL 92 Cb 1.32 0.60 0.02 0.00 -2.01 0.00 0.00 31.29 31.21 3gkb h VAL 92 CO 0.59 0.07 -0.98 -0.26 -1.01 0.00 0.00 177.57 175.98 3gkb h PHE 93 N 0.40 0.58 -0.17 3.17 0.04 -1.93 -3.24 116.94 115.79 3gkb h PHE 93 Ca 0.15 -0.42 0.05 0.00 2.80 0.00 0.00 57.97 60.55 3gkb h PHE 93 Cb 0.10 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 3gkb h PHE 93 CO -0.00 1.38 0.15 1.96 -0.60 0.00 0.00 178.31 181.20 3gkb h GLN 94 N -0.31 0.00 -0.04 1.51 4.20 -1.57 -2.70 115.11 116.20 3gkb h GLN 94 Ca -0.18 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.54 3gkb h GLN 94 Cb 1.72 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.50 3gkb h GLN 94 CO 0.15 0.00 0.03 0.00 -0.67 0.00 0.00 178.83 178.34 3gkb h ALA 95 N 1.86 1.97 0.75 3.87 0.00 -1.05 -0.26 119.26 126.39 3gkb h ALA 95 Ca 0.08 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3gkb h ALA 95 Cb 0.38 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.18 3gkb h ALA 95 CO -0.00 -0.05 -0.36 0.28 0.00 0.00 0.00 179.25 179.12 3gkb h VAL 96 N 0.00 0.01 -0.77 0.00 2.07 -1.65 -0.98 116.25 114.93 3gkb h VAL 96 Ca 0.02 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.28 3gkb h VAL 96 Cb 0.08 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.82 3gkb h VAL 96 CO -0.00 0.00 0.51 1.23 0.02 0.00 0.00 177.57 179.33 3gkb h GLY 97 N -1.27 1.08 1.55 2.17 0.00 -1.66 -2.33 103.07 102.60 3gkb h GLY 97 Ca -0.10 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 46.74 3gkb h GLY 97 CO 0.17 0.39 -0.19 0.83 0.00 0.00 0.00 176.54 177.74 3gkb h GLU 98 N 1.03 0.53 -0.21 4.80 4.39 -1.05 0.93 114.58 125.01 3gkb h GLU 98 Ca 0.28 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 3gkb h GLU 98 Cb -0.11 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 3gkb h GLU 98 CO -0.06 0.70 0.10 1.25 -1.16 0.00 0.00 179.01 179.83 3gkb h LEU 99 N 0.48 0.28 -0.22 1.33 5.85 -0.72 -2.66 115.31 119.66 3gkb h LEU 99 Ca 0.08 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.68 3gkb h LEU 99 Cb 0.60 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3gkb h LEU 99 CO 0.04 0.33 0.11 0.40 -0.34 0.00 0.00 178.44 178.98 3gkb h ILE 100 N 0.21 1.00 -0.11 4.05 2.04 -1.07 -2.50 117.51 121.13 3gkb h ILE 100 Ca 0.07 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3gkb h ILE 100 Cb 0.13 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3gkb h ILE 100 CO -0.01 0.04 0.06 0.03 0.00 0.00 0.00 178.15 178.28 3gkb h ARG 101 N 0.23 0.15 -0.57 2.37 3.08 -0.73 -2.56 114.38 116.35 3gkb h ARG 101 Ca 0.09 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3gkb h ARG 101 Cb 0.02 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3gkb h ARG 101 CO -0.06 0.11 0.00 0.72 -1.07 0.00 0.00 179.97 179.67 3gkb n HIS 102 N -4.51 0.75 -1.92 3.04 8.25 -1.01 -4.83 115.22 114.99 3gkb n HIS 102 Ca -0.01 -0.39 -0.41 0.00 -0.26 0.00 0.00 57.72 56.65 3gkb n HIS 102 Cb 0.09 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.18 3gkb n HIS 102 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3gkb s GLN 103 N -1.21 4.21 0.13 -0.41 2.00 -0.96 -4.93 119.66 118.47 3gkb s GLN 103 Ca 0.44 2.42 -0.14 0.00 -2.00 0.00 0.00 55.36 56.08 3gkb s GLN 103 Cb 0.24 -3.05 -0.03 0.00 0.80 0.00 0.00 33.01 30.98 3gkb s GLN 103 CO 0.32 -0.46 1.53 -1.00 -0.50 0.00 0.00 175.29 175.18 3gkb h PRO 104 N 4.17 0.77 -7.20 1.67 0.13 -1.91 -3.44 132.00 126.19 3gkb h PRO 104 Ca -0.48 -0.30 -0.53 0.00 -0.87 0.00 0.00 66.00 63.82 3gkb h PRO 104 Cb 1.23 -0.04 0.16 0.00 0.13 0.00 0.00 31.00 32.48 3gkb h PRO 104 CO 0.72 0.91 0.36 -0.65 -0.23 0.00 0.00 178.00 179.11 3gkb s GLN 105 N -4.78 1.93 0.10 0.86 1.11 -1.26 -4.92 119.66 112.70 3gkb s GLN 105 Ca -0.12 1.70 -0.31 0.00 0.01 0.00 0.00 55.36 56.64 3gkb s GLN 105 Cb 0.10 -1.82 -0.08 0.00 -1.01 0.00 0.00 33.01 30.21 3gkb s GLN 105 CO 0.82 -1.98 1.39 0.08 0.01 0.00 0.00 175.29 175.61 3gkb s VAL 106 N -2.14 3.36 -0.16 1.09 1.01 -0.76 -4.84 120.40 117.96 3gkb s VAL 106 Ca 0.73 0.96 -0.05 0.00 0.00 0.00 0.00 61.98 63.62 3gkb s VAL 106 Cb -0.28 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 3gkb s VAL 106 CO 0.48 0.07 -0.01 0.42 0.00 0.00 0.00 175.10 176.05 3gkb s THR 107 N 1.23 4.10 -0.08 3.92 -4.23 -1.26 -0.43 115.64 118.89 3gkb s THR 107 Ca 0.64 -0.28 0.02 0.00 -1.18 0.00 0.00 61.69 60.90 3gkb s THR 107 Cb -0.36 -2.81 0.01 0.00 1.34 0.00 0.00 72.50 70.68 3gkb s THR 107 CO 0.30 0.48 -0.14 -0.63 -0.54 0.00 0.00 174.62 174.09 3gkb s ILE 108 N 0.39 1.31 -0.18 2.99 1.01 0.07 -1.74 121.20 125.06 3gkb s ILE 108 Ca -0.02 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 59.98 3gkb s ILE 108 Cb -0.14 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 3gkb s ILE 108 CO 0.02 0.40 0.04 -0.69 0.00 0.00 0.00 174.94 174.71 3gkb s VAL 109 N 0.66 4.60 -0.42 2.92 1.01 0.30 -0.86 120.40 128.60 3gkb s VAL 109 Ca -0.14 -0.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 3gkb s VAL 109 Cb -0.16 -3.06 0.05 0.00 0.00 0.00 0.00 36.38 33.21 3gkb s VAL 109 CO 0.04 0.47 0.29 -0.75 0.00 0.00 0.00 175.10 175.14 3gkb s LYS 110 N 0.37 2.83 -0.37 2.72 2.20 -0.39 -1.37 119.74 125.73 3gkb s LYS 110 Ca 0.02 -1.25 -0.08 0.00 -0.36 0.00 0.00 55.97 54.30 3gkb s LYS 110 Cb -0.13 -3.90 0.05 0.00 -1.51 0.00 0.00 37.83 32.35 3gkb s LYS 110 CO 0.01 -0.87 0.18 -1.17 -0.36 0.00 0.00 175.35 173.14 3gkb s LEU 111 N 1.56 4.68 -0.16 5.43 2.96 0.01 -4.50 118.68 128.65 3gkb s LEU 111 Ca 0.03 -1.23 0.15 0.00 -0.22 0.00 0.00 54.13 52.86 3gkb s LEU 111 Cb -0.22 -1.94 -0.21 0.00 0.50 0.00 0.00 46.19 44.32 3gkb s LEU 111 CO 0.06 -0.41 0.07 0.00 -1.32 0.00 0.00 176.35 174.75 3gkb n ALA 112 N 4.88 1.61 -3.00 5.97 0.00 -1.26 -0.74 120.51 127.97 3gkb n ALA 112 Ca -0.11 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.22 3gkb n ALA 112 Cb 0.44 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.77 3gkb n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gkb n GLY 113 N 1.94 5.05 3.79 0.00 0.00 -1.26 -2.41 105.19 112.29 3gkb n GLY 113 Ca -0.27 -1.80 -0.38 0.00 0.00 0.00 0.00 46.02 43.57 3gkb n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gkb s LYS 114 N 2.06 4.11 -0.08 1.61 1.02 0.04 -1.59 119.74 126.92 3gkb s LYS 114 Ca 0.00 0.44 -0.00 0.00 0.02 0.00 0.00 55.97 56.43 3gkb s LYS 114 Cb 0.00 -3.31 0.02 0.00 -0.52 0.00 0.00 37.83 34.03 3gkb s LYS 114 CO 0.00 0.48 -0.04 0.00 -0.92 0.00 0.00 175.35 174.87 3gkb s ALA 115 N -0.42 0.93 0.14 5.17 0.00 -0.35 -0.49 121.76 126.73 3gkb s ALA 115 Ca 0.25 -0.26 0.06 0.00 0.00 0.00 0.00 51.96 52.00 3gkb s ALA 115 Cb -0.16 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 3gkb s ALA 115 CO 0.12 -0.29 -0.13 1.03 0.00 0.00 0.00 175.76 176.50 3gkb s ARG 116 N 1.53 1.05 5.21 0.00 0.52 -1.10 -2.04 118.95 124.12 3gkb s ARG 116 Ca -0.01 -1.33 0.00 0.00 -0.52 0.00 0.00 55.73 53.88 3gkb s ARG 116 Cb -0.13 -0.82 0.00 0.00 0.52 0.00 0.00 34.95 34.51 3gkb s ARG 116 CO -0.04 0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.83 3gkb n GLY 117 N 0.24 3.48 0.36 -3.53 0.00 -0.22 -0.57 105.19 104.95 3gkb n GLY 117 Ca -0.13 0.12 0.18 0.00 0.00 0.00 0.00 46.02 46.19 3gkb n GLY 117 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gkb h GLY 118 N 0.00 0.00 1.23 -0.02 0.00 -1.90 0.96 103.07 103.35 3gkb h GLY 118 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3gkb h GLY 118 CO 0.00 0.00 0.04 -1.33 0.00 0.00 0.00 176.54 175.25 3gkb h GLY 119 N 0.00 1.01 1.72 4.60 0.00 -1.03 -1.73 103.07 107.64 3gkb h GLY 119 Ca 0.21 -0.68 -0.15 0.00 0.00 0.00 0.00 47.33 46.72 3gkb h GLY 119 CO -0.00 0.63 -0.58 0.00 0.00 0.00 0.00 176.54 176.58 3gkb h ALA 120 N 1.16 0.84 -0.61 3.60 0.00 -0.82 -1.93 119.26 121.50 3gkb h ALA 120 Ca 0.17 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 3gkb h ALA 120 Cb 0.46 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3gkb h ALA 120 CO 0.02 0.71 0.37 0.93 0.00 0.00 0.00 179.25 181.28 3gkb h GLU 121 N 0.22 0.83 -0.16 0.00 5.08 -1.13 -1.75 114.58 117.66 3gkb h GLU 121 Ca -0.00 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3gkb h GLU 121 Cb 1.09 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 3gkb h GLU 121 CO 0.09 0.59 0.08 0.35 -1.00 0.00 0.00 179.01 179.13 3gkb h PHE 122 N 0.82 0.16 -0.43 4.33 3.57 -1.07 -1.74 116.94 122.58 3gkb h PHE 122 Ca 0.22 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.76 3gkb h PHE 122 Cb -0.02 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.63 3gkb h PHE 122 CO -0.02 0.09 0.21 0.28 -2.23 0.00 0.00 178.31 176.64 3gkb h VAL 123 N 0.18 0.95 0.00 1.41 2.07 -1.21 -2.58 116.25 117.08 3gkb h VAL 123 Ca 0.06 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3gkb h VAL 123 Cb 0.01 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3gkb h VAL 123 CO -0.04 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.62 3gkb h ALA 124 N 1.24 1.00 0.00 1.67 0.00 -0.97 -3.20 119.26 119.00 3gkb h ALA 124 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 3gkb h ALA 124 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3gkb h ALA 124 CO -0.14 0.00 -0.57 0.00 0.00 0.00 0.00 179.25 178.54 3gkb h ALA 125 N 2.03 0.67 -2.45 0.00 0.00 -0.91 -3.46 119.26 115.14 3gkb h ALA 125 Ca 0.00 -0.48 -0.52 0.00 0.00 0.00 0.00 54.91 53.91 3gkb h ALA 125 Cb 0.66 -0.05 0.14 0.00 0.00 0.00 0.00 17.79 18.54 3gkb h ALA 125 CO 0.00 0.64 0.34 0.00 0.00 0.00 0.00 179.25 180.23 3gkb s ALA 126 N -2.96 2.17 0.27 0.00 0.00 -1.20 -3.96 121.76 116.07 3gkb s ALA 126 Ca 0.03 0.56 -0.02 0.00 0.00 0.00 0.00 51.96 52.53 3gkb s ALA 126 Cb 0.08 -3.37 0.41 0.00 0.00 0.00 0.00 23.12 20.24 3gkb s ALA 126 CO 0.75 -1.79 1.88 -0.44 0.00 0.00 0.00 175.76 176.16 3gkb h ASP 127 N -0.66 1.05 -4.79 0.00 3.32 -1.73 -3.44 116.42 110.17 3gkb h ASP 127 Ca -0.46 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.48 3gkb h ASP 127 Cb 1.26 -0.21 -0.21 0.00 0.22 0.00 0.00 39.33 40.38 3gkb h ASP 127 CO 0.50 0.67 -0.33 0.00 -1.72 0.00 0.00 179.24 178.36 3gkb s MET 128 N -6.04 0.58 -0.03 3.56 0.23 -0.71 -5.02 119.30 111.87 3gkb s MET 128 Ca -0.12 -0.13 0.01 0.00 -1.03 0.00 0.00 55.69 54.42 3gkb s MET 128 Cb 0.20 0.26 0.02 0.00 -1.53 0.00 0.00 34.83 33.78 3gkb s MET 128 CO 0.81 -0.15 -0.02 0.00 -2.03 0.00 0.00 175.02 173.63 3gkb s ALA 129 N -1.09 0.47 -0.08 3.16 0.00 -1.26 -0.54 121.76 122.42 3gkb s ALA 129 Ca -0.12 0.05 0.04 0.00 0.00 0.00 0.00 51.96 51.93 3gkb s ALA 129 Cb -0.05 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.74 3gkb s ALA 129 CO 0.03 -0.02 -0.20 -0.06 0.00 0.00 0.00 175.76 175.50 3gkb s PHE 130 N 0.86 2.15 0.07 0.00 0.08 -0.47 -0.75 117.98 119.92 3gkb s PHE 130 Ca -0.10 -0.80 0.06 0.00 0.12 0.00 0.00 56.93 56.22 3gkb s PHE 130 Cb -0.13 -1.46 -0.03 0.00 -0.57 0.00 0.00 43.02 40.83 3gkb s PHE 130 CO -0.01 -0.32 -0.17 0.00 -0.10 0.00 0.00 175.22 174.62 3gkb s ALA 131 N 0.30 1.47 -0.15 5.36 0.00 -0.61 -0.81 121.76 127.32 3gkb s ALA 131 Ca -0.14 -1.05 -0.29 0.00 0.00 0.00 0.00 51.96 50.49 3gkb s ALA 131 Cb -0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 3gkb s ALA 131 CO 0.06 0.28 1.33 0.00 0.00 0.00 0.00 175.76 177.43 3gkb s ALA 132 N -1.06 3.65 0.26 0.00 0.00 0.08 -0.68 121.76 124.02 3gkb s ALA 132 Ca 0.03 0.54 -0.02 0.00 0.00 0.00 0.00 51.96 52.51 3gkb s ALA 132 Cb -0.09 -3.64 0.44 0.00 0.00 0.00 0.00 23.12 19.83 3gkb s ALA 132 CO 0.03 -1.21 1.85 0.00 0.00 0.00 0.00 175.76 176.43 3gkb h ALA 133 N 8.43 1.37 0.00 0.00 0.00 -0.99 -1.02 119.26 127.05 3gkb h ALA 133 Ca -0.29 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 3gkb h ALA 133 Cb 1.12 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3gkb h ALA 133 CO 0.97 0.30 -0.97 0.93 0.00 0.00 0.00 179.25 180.48 3gkb h GLU 134 N 1.03 0.00 0.00 0.00 3.07 -1.92 -3.41 114.58 113.36 3gkb h GLU 134 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 3gkb h GLU 134 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 3gkb h GLU 134 CO -0.21 0.76 -0.90 0.25 -1.40 0.00 0.00 179.01 177.51 3gkb n THR 135 N -3.25 0.00 -2.12 1.13 -2.24 -1.10 -5.07 114.28 101.63 3gkb n THR 135 Ca -0.02 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.44 3gkb n THR 135 Cb 0.89 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 3gkb n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gkb s ALA 136 N -1.86 2.82 -0.06 6.98 0.00 -0.41 -4.49 121.76 124.74 3gkb s ALA 136 Ca 0.00 0.34 -0.19 0.00 0.00 0.00 0.00 51.96 52.10 3gkb s ALA 136 Cb 0.00 -3.20 0.04 0.00 0.00 0.00 0.00 23.12 19.96 3gkb s ALA 136 CO 0.00 -0.68 0.44 0.20 0.00 0.00 0.00 175.76 175.72 3gkb s GLY 137 N -2.88 -0.31 -0.05 0.00 0.00 -0.62 -3.64 107.32 99.83 3gkb s GLY 137 Ca 0.62 0.80 0.01 0.00 0.00 0.00 0.00 44.72 46.16 3gkb s GLY 137 CO 0.36 0.56 -0.06 1.08 0.00 0.00 0.00 173.10 175.04 3gkb s LEU 138 N -0.95 1.37 -0.04 0.66 1.43 -0.52 -1.21 118.68 119.43 3gkb s LEU 138 Ca -0.10 -0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 3gkb s LEU 138 Cb -0.03 -0.51 0.02 0.00 0.03 0.00 0.00 46.19 45.70 3gkb s LEU 138 CO 0.05 -0.04 0.29 -0.83 0.23 0.00 0.00 176.35 176.05 3gkb s GLY 139 N 0.89 -0.15 -0.64 -3.19 0.00 -0.86 0.11 107.32 103.48 3gkb s GLY 139 Ca -0.11 0.41 -0.16 0.00 0.00 0.00 0.00 44.72 44.86 3gkb s GLY 139 CO 0.01 0.23 0.60 1.20 0.00 0.00 0.00 173.10 175.14 3gkb s GLN 140 N -0.98 3.20 0.15 2.90 -1.52 -1.26 -1.06 119.66 121.09 3gkb s GLN 140 Ca -0.11 -1.94 0.25 0.00 -1.95 0.00 0.00 55.36 51.61 3gkb s GLN 140 Cb -0.05 -4.35 0.93 0.00 -0.22 0.00 0.00 33.01 29.32 3gkb s GLN 140 CO 0.03 -1.33 1.76 1.51 -0.25 0.00 0.00 175.29 177.01 3gkb n ILE 141 N 4.85 0.56 -0.20 1.08 0.13 -1.26 -4.35 119.36 120.17 3gkb n ILE 141 Ca -0.04 -0.03 0.00 0.00 -1.10 0.00 0.00 62.75 61.58 3gkb n ILE 141 Cb 0.42 -0.75 0.09 0.00 -0.84 0.00 0.00 39.64 38.57 3gkb n ILE 141 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3gkb h GLU 142 N 0.00 0.10 -0.75 9.51 3.07 -1.90 -1.08 114.58 123.53 3gkb h GLU 142 Ca 0.00 -0.01 0.15 0.00 -0.50 0.00 0.00 59.36 59.00 3gkb h GLU 142 Cb 0.54 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.37 3gkb h GLU 142 CO 0.00 0.07 0.50 0.00 -1.40 0.00 0.00 179.01 178.18 3gkb h ALA 143 N 1.56 2.10 0.00 3.43 0.00 -1.71 0.18 119.26 124.82 3gkb h ALA 143 Ca 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3gkb h ALA 143 Cb 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3gkb h ALA 143 CO -0.53 -0.30 0.00 1.28 0.00 0.00 0.00 179.25 179.70 3gkb n LEU 144 N -4.48 0.43 -1.28 0.00 4.77 -0.41 -2.10 117.00 113.93 3gkb n LEU 144 Ca 0.14 0.57 0.12 0.00 -0.03 0.00 0.00 56.01 56.81 3gkb n LEU 144 Cb 0.52 -0.47 0.29 0.00 -2.33 0.00 0.00 43.42 41.44 3gkb n LEU 144 CO 0.33 -0.26 0.75 0.23 -1.33 0.00 0.00 177.39 177.11 3gkb n MET 145 N -1.93 2.62 -1.02 3.23 2.81 0.61 -4.85 117.12 118.60 3gkb n MET 145 Ca 0.05 -2.51 -0.01 0.00 -1.81 0.00 0.00 57.70 53.42 3gkb n MET 145 Cb 0.30 -1.55 -0.00 0.00 -0.71 0.00 0.00 33.22 31.26 3gkb n MET 145 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gkb n GLY 146 N 1.61 0.44 0.00 3.03 0.00 -0.89 -4.16 105.19 105.22 3gkb n GLY 146 Ca 0.23 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3gkb n GLY 146 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3gkb n ILE 147 N -2.98 0.00 -4.45 -0.61 -5.35 -0.98 -4.49 119.36 100.51 3gkb n ILE 147 Ca -0.01 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.26 3gkb n ILE 147 Cb 0.02 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 37.82 3gkb n ILE 147 CO 0.00 0.00 0.00 0.27 -1.76 0.00 0.00 176.55 175.06 3gkb s ILE 148 N -1.36 1.18 0.20 7.28 -4.36 -1.26 -2.76 121.20 120.11 3gkb s ILE 148 Ca 0.00 -2.00 -0.32 0.00 -0.26 0.00 0.00 60.65 58.07 3gkb s ILE 148 Cb 0.00 -2.79 -0.12 0.00 1.25 0.00 0.00 42.46 40.80 3gkb s ILE 148 CO 0.00 0.00 1.73 -2.65 0.24 0.00 0.00 174.94 174.26 3gkb n PRO 149 N -0.69 2.75 -0.03 0.37 -0.02 -1.26 -4.87 135.00 131.25 3gkb n PRO 149 Ca -0.02 0.99 0.02 0.00 -2.02 0.00 0.00 63.50 62.47 3gkb n PRO 149 Cb 0.67 -2.84 0.04 0.00 -0.02 0.00 0.00 33.50 31.34 3gkb n PRO 149 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gkb n GLY 150 N 3.97 3.29 0.77 -1.23 0.00 -1.26 -4.62 105.19 106.11 3gkb n GLY 150 Ca 0.16 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 46.03 3gkb n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gkb n GLY 151 N -0.57 4.33 0.00 -0.02 0.00 -1.26 -3.85 105.19 103.83 3gkb n GLY 151 Ca 0.04 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3gkb n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gkb n GLY 152 N -0.78 1.62 0.36 -0.02 0.00 -1.26 -4.19 105.19 100.92 3gkb n GLY 152 Ca 0.22 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.32 3gkb n GLY 152 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gkb h GLY 153 N 0.00 1.64 1.22 -0.02 0.00 -1.92 0.46 103.07 104.46 3gkb h GLY 153 Ca 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 3gkb h GLY 153 CO 0.00 0.13 0.28 -0.91 0.00 0.00 0.00 176.54 176.04 3gkb h THR 154 N 0.96 1.23 0.17 4.70 1.35 -1.95 -0.67 112.91 118.70 3gkb h THR 154 Ca 0.50 -0.72 -0.30 0.00 -0.55 0.00 0.00 66.41 65.34 3gkb h THR 154 Cb 0.53 0.41 0.02 0.00 -1.73 0.00 0.00 68.15 67.39 3gkb h THR 154 CO -0.28 0.29 -1.33 1.56 -0.25 0.00 0.00 175.52 175.52 3gkb h GLN 155 N 0.98 0.46 -0.65 4.72 1.08 -1.46 0.34 115.11 120.58 3gkb h GLN 155 Ca 0.23 -0.72 -0.03 0.00 -1.45 0.00 0.00 58.65 56.68 3gkb h GLN 155 Cb 0.18 0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.84 3gkb h GLN 155 CO -0.02 1.33 0.29 1.88 -0.95 0.00 0.00 178.83 181.36 3gkb h TYR 156 N 0.15 0.96 -0.06 2.96 0.05 -0.91 -1.35 116.97 118.76 3gkb h TYR 156 Ca -0.19 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.52 3gkb h TYR 156 Cb 2.02 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 39.47 3gkb h TYR 156 CO 0.10 0.73 0.02 -0.07 -1.05 0.00 0.00 178.16 177.89 3gkb h LEU 157 N 0.90 0.10 -0.61 3.88 3.38 -1.14 -0.84 115.31 120.97 3gkb h LEU 157 Ca 0.22 -0.23 0.13 0.00 0.09 0.00 0.00 57.88 58.09 3gkb h LEU 157 Cb 0.16 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.78 3gkb h LEU 157 CO -0.02 0.30 0.04 -0.09 0.09 0.00 0.00 178.44 178.76 3gkb h ARG 158 N -0.11 0.16 -0.42 1.13 2.43 -0.69 0.18 114.38 117.05 3gkb h ARG 158 Ca 0.02 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.03 3gkb h ARG 158 Cb 0.24 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3gkb h ARG 158 CO 0.00 0.10 -0.32 0.78 -1.51 0.00 0.00 179.97 179.02 3gkb h GLY 159 N 0.16 1.05 1.09 2.80 0.00 -1.14 -1.25 103.07 105.78 3gkb h GLY 159 Ca 0.32 -1.02 -0.31 0.00 0.00 0.00 0.00 47.33 46.32 3gkb h GLY 159 CO -0.49 0.93 -1.64 3.21 0.00 0.00 0.00 176.54 178.55 3gkb h ARG 160 N 0.81 0.20 0.00 4.80 3.08 -0.65 -3.40 114.38 119.21 3gkb h ARG 160 Ca 0.08 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.79 3gkb h ARG 160 Cb 0.92 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.09 3gkb h ARG 160 CO 0.09 1.01 -0.38 1.33 -1.07 0.00 0.00 179.97 180.95 3gkb n VAL 161 N -3.38 0.00 0.00 2.04 0.24 0.60 -4.52 118.33 113.30 3gkb n VAL 161 Ca -0.19 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 3gkb n VAL 161 Cb 1.04 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 34.30 3gkb n VAL 161 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gkb n GLY 162 N 1.32 -0.41 0.28 7.63 0.00 -0.47 -4.43 105.19 109.11 3gkb n GLY 162 Ca 0.00 -1.60 0.01 0.00 0.00 0.00 0.00 46.02 44.43 3gkb n GLY 162 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3gkb h ARG 163 N 0.00 0.69 -0.04 1.61 2.43 -1.86 -0.29 114.38 116.92 3gkb h ARG 163 Ca 0.00 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3gkb h ARG 163 Cb 0.00 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3gkb h ARG 163 CO 0.00 0.46 0.02 -0.91 -1.51 0.00 0.00 179.97 178.03 3gkb h ASN 164 N 0.71 0.04 0.55 -3.80 4.21 -1.96 -0.28 115.58 115.05 3gkb h ASN 164 Ca 0.35 -0.04 -0.12 0.00 1.21 0.00 0.00 56.30 57.71 3gkb h ASN 164 Cb 0.30 -0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 37.47 3gkb h ASN 164 CO -0.23 0.07 -0.55 0.03 -1.29 0.00 0.00 177.43 175.46 3gkb h ARG 165 N 0.02 0.00 -0.46 0.81 3.08 -1.75 -2.46 114.38 113.63 3gkb h ARG 165 Ca 0.01 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3gkb h ARG 165 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3gkb h ARG 165 CO -0.00 0.55 0.25 0.00 -1.07 0.00 0.00 179.97 179.69 3gkb h ALA 166 N 1.45 0.59 -0.61 0.04 0.00 -0.67 0.48 119.26 120.53 3gkb h ALA 166 Ca -0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3gkb h ALA 166 Cb 0.97 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3gkb h ALA 166 CO 0.07 0.11 0.02 -0.07 0.00 0.00 0.00 179.25 179.39 3gkb h LEU 167 N 0.60 1.04 -0.02 0.00 3.38 -1.02 -0.78 115.31 118.52 3gkb h LEU 167 Ca 0.16 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3gkb h LEU 167 Cb 0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3gkb h LEU 167 CO -0.03 1.08 -0.06 -0.08 0.09 0.00 0.00 178.44 179.45 3gkb h GLU 168 N 0.97 -0.10 -0.12 1.13 4.81 -1.24 -0.03 114.58 120.00 3gkb h GLU 168 Ca 0.18 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3gkb h GLU 168 Cb 0.53 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3gkb h GLU 168 CO 0.03 -0.07 0.07 0.28 -0.73 0.00 0.00 179.01 178.59 3gkb h VAL 169 N -0.10 1.02 -0.40 0.32 2.07 -0.60 -0.74 116.25 117.82 3gkb h VAL 169 Ca 0.03 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 3gkb h VAL 169 Cb 0.14 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3gkb h VAL 169 CO -0.08 0.03 -0.03 0.58 0.02 0.00 0.00 177.57 178.09 3gkb h VAL 170 N 0.15 1.27 0.05 2.57 2.07 -1.07 -2.42 116.25 118.87 3gkb h VAL 170 Ca 0.04 -1.06 -0.31 0.00 0.82 0.00 0.00 66.70 66.20 3gkb h VAL 170 Cb -0.01 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3gkb h VAL 170 CO -0.02 0.36 -1.71 -0.07 0.02 0.00 0.00 177.57 176.15 3gkb h LEU 171 N 0.54 0.16 -0.86 2.57 3.38 -0.95 -3.26 115.31 116.89 3gkb h LEU 171 Ca 0.11 -0.31 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 3gkb h LEU 171 Cb 0.51 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3gkb h LEU 171 CO 0.03 1.27 -0.56 0.71 0.09 0.00 0.00 178.44 179.98 3gkb h THR 172 N 0.03 1.38 -2.85 0.22 1.35 -1.25 -3.47 112.91 108.32 3gkb h THR 172 Ca -0.30 -1.94 -0.30 0.00 -0.55 0.00 0.00 66.41 63.32 3gkb h THR 172 Cb 2.01 2.06 -0.05 0.00 -1.73 0.00 0.00 68.15 70.43 3gkb h THR 172 CO 0.10 0.55 -0.35 0.00 -0.25 0.00 0.00 175.52 175.57 3gkb n ALA 173 N -2.42 -0.57 -2.12 6.62 0.00 -0.91 -4.95 120.51 116.16 3gkb n ALA 173 Ca -0.01 0.16 -0.28 0.00 0.00 0.00 0.00 53.44 53.30 3gkb n ALA 173 Cb 0.57 -1.66 0.01 0.00 0.00 0.00 0.00 19.45 18.37 3gkb n ALA 173 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gkb s ASP 174 N -2.11 6.13 -0.40 0.00 1.01 -1.26 -4.69 116.67 115.34 3gkb s ASP 174 Ca 0.00 1.03 -0.25 0.00 0.71 0.00 0.00 52.55 54.05 3gkb s ASP 174 Cb 0.00 -2.22 0.02 0.00 1.01 0.00 0.00 42.92 41.73 3gkb s ASP 174 CO 0.00 -0.75 0.88 -0.22 0.21 0.00 0.00 175.17 175.28 3gkb s LEU 175 N -4.92 4.05 0.05 1.23 2.96 -1.26 -4.39 118.68 116.41 3gkb s LEU 175 Ca 0.51 0.34 -0.26 0.00 -0.22 0.00 0.00 54.13 54.49 3gkb s LEU 175 Cb -0.11 -3.16 -0.05 0.00 0.50 0.00 0.00 46.19 43.37 3gkb s LEU 175 CO 0.48 -0.89 0.81 -0.36 -1.32 0.00 0.00 176.35 175.07 3gkb s PHE 176 N 3.45 3.74 0.82 5.38 0.08 0.12 -4.87 117.98 126.70 3gkb s PHE 176 Ca 0.35 1.54 -0.12 0.00 0.12 0.00 0.00 56.93 58.82 3gkb s PHE 176 Cb -0.12 -2.88 0.08 0.00 -0.57 0.00 0.00 43.02 39.54 3gkb s PHE 176 CO 0.21 0.24 1.12 0.16 -0.10 0.00 0.00 175.22 176.84 3gkb s ASP 177 N 0.04 4.32 0.23 1.36 1.47 -1.26 -1.44 116.67 121.39 3gkb s ASP 177 Ca 0.41 1.13 -0.08 0.00 1.18 0.00 0.00 52.55 55.19 3gkb s ASP 177 Cb -0.21 -1.80 0.25 0.00 -0.34 0.00 0.00 42.92 40.83 3gkb s ASP 177 CO 0.24 -2.06 1.86 0.00 0.68 0.00 0.00 175.17 175.90 3gkb h ALA 178 N -1.15 1.07 -0.68 2.11 0.00 -1.78 -1.11 119.26 117.73 3gkb h ALA 178 Ca -0.48 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 3gkb h ALA 178 Cb 1.29 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3gkb h ALA 178 CO 0.61 0.32 0.17 1.05 0.00 0.00 0.00 179.25 181.40 3gkb h GLU 179 N 0.99 1.08 -0.29 0.00 -0.00 -1.92 -0.00 114.58 114.44 3gkb h GLU 179 Ca 0.33 -0.26 -0.08 0.00 -0.00 0.00 0.00 59.36 59.35 3gkb h GLU 179 Cb 0.04 -0.14 -0.01 0.00 -0.00 0.00 0.00 28.75 28.64 3gkb h GLU 179 CO -0.12 0.96 -0.13 1.15 -0.00 0.00 0.00 179.01 180.87 3gkb h THR 180 N 1.01 1.29 -0.55 -1.06 2.02 -1.89 -1.18 112.91 112.55 3gkb h THR 180 Ca 0.21 -1.21 0.02 0.00 0.77 0.00 0.00 66.41 66.20 3gkb h THR 180 Cb 0.37 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 3gkb h THR 180 CO 0.00 0.39 0.35 0.00 0.37 0.00 0.00 175.52 176.63 3gkb h ALA 181 N 0.76 0.71 -0.37 6.16 0.00 -0.96 -0.82 119.26 124.73 3gkb h ALA 181 Ca 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3gkb h ALA 181 Cb 0.64 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3gkb h ALA 181 CO 0.04 0.09 0.08 0.00 0.00 0.00 0.00 179.25 179.45 3gkb h ALA 182 N 1.23 0.49 -0.20 0.00 0.00 -1.00 -0.62 119.26 119.16 3gkb h ALA 182 Ca 0.21 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3gkb h ALA 182 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3gkb h ALA 182 CO -0.07 0.19 0.01 0.66 0.00 0.00 0.00 179.25 180.03 3gkb h SER 183 N 0.46 0.26 0.80 0.00 4.64 -0.85 -1.50 113.55 117.35 3gkb h SER 183 Ca 0.12 -0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.31 3gkb h SER 183 Cb 0.34 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3gkb h SER 183 CO 0.00 0.31 -0.46 1.88 -0.87 0.00 0.00 176.83 177.70 3gkb h TYR 184 N 0.28 0.00 0.00 4.77 -1.99 -1.01 -3.47 116.97 115.55 3gkb h TYR 184 Ca 0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.80 3gkb h TYR 184 Cb 0.19 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.92 3gkb h TYR 184 CO 0.00 0.46 0.00 0.41 -0.00 0.00 0.00 178.16 179.03 3gkb n GLY 185 N 0.28 0.88 0.25 3.88 0.00 -0.57 -4.27 105.19 105.64 3gkb n GLY 185 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 3gkb n GLY 185 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3gkb h TRP 186 N 0.00 0.57 -2.64 1.61 2.91 -1.39 -3.43 115.95 113.58 3gkb h TRP 186 Ca 0.00 -0.10 -0.50 0.00 1.13 0.00 0.00 58.89 59.42 3gkb h TRP 186 Cb 0.00 -0.15 -0.14 0.00 -0.51 0.00 0.00 29.16 28.37 3gkb h TRP 186 CO 0.00 0.67 -0.59 0.96 -1.03 0.00 0.00 178.44 178.45 3gkb s ILE 187 N -4.64 1.19 -0.01 2.65 -4.36 -1.21 -4.71 121.20 110.11 3gkb s ILE 187 Ca -0.07 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.11 3gkb s ILE 187 Cb 0.14 -2.74 -0.25 0.00 1.25 0.00 0.00 42.46 40.86 3gkb s ILE 187 CO 0.79 0.00 1.05 0.78 0.24 0.00 0.00 174.94 177.79 3gkb h ASN 188 N 2.02 0.50 -4.56 4.36 4.21 -1.23 -3.40 115.58 117.49 3gkb h ASN 188 Ca -0.41 -0.81 -0.05 0.00 1.21 0.00 0.00 56.30 56.25 3gkb h ASN 188 Cb 1.25 -0.16 -0.20 0.00 -1.12 0.00 0.00 38.32 38.09 3gkb h ASN 188 CO 0.69 1.25 0.16 -0.60 -1.29 0.00 0.00 177.43 177.65 3gkb s ARG 189 N -3.01 0.96 -0.15 0.81 6.06 -1.17 -4.95 118.95 117.50 3gkb s ARG 189 Ca -0.13 0.58 -0.06 0.00 -2.50 0.00 0.00 55.73 53.62 3gkb s ARG 189 Cb 0.03 0.46 -0.04 0.00 0.06 0.00 0.00 34.95 35.46 3gkb s ARG 189 CO 0.82 -0.23 0.06 0.00 -2.50 0.00 0.00 175.30 173.45 3gkb s ALA 190 N -0.50 3.42 0.11 6.12 0.00 -1.26 -1.58 121.76 128.08 3gkb s ALA 190 Ca -0.06 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.20 3gkb s ALA 190 Cb -0.02 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 3gkb s ALA 190 CO 0.06 0.32 -0.11 -0.51 0.00 0.00 0.00 175.76 175.52 3gkb s LEU 191 N -0.06 2.43 0.27 0.00 1.43 0.14 -4.87 118.68 118.02 3gkb s LEU 191 Ca 0.06 -0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 52.00 3gkb s LEU 191 Cb -0.12 -0.38 -0.13 0.00 0.03 0.00 0.00 46.19 45.60 3gkb s LEU 191 CO 0.01 -0.25 1.43 -2.65 0.23 0.00 0.00 176.35 175.13 3gkb n PRO 192 N 0.39 2.20 -0.32 1.29 -0.02 -1.26 -0.34 135.00 136.94 3gkb n PRO 192 Ca -0.15 0.78 0.10 0.00 -2.02 0.00 0.00 63.50 62.21 3gkb n PRO 192 Cb 0.58 -2.46 0.27 0.00 -0.02 0.00 0.00 33.50 31.87 3gkb n PRO 192 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gkb h ALA 193 N 4.09 1.42 0.00 3.55 0.00 -1.91 -0.34 119.26 126.08 3gkb h ALA 193 Ca -0.46 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3gkb h ALA 193 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3gkb h ALA 193 CO 0.74 -0.10 0.00 -0.25 0.00 0.00 0.00 179.25 179.64 3gkb n ASP 194 N -4.86 0.03 -0.00 0.00 8.00 -1.26 -3.01 116.55 115.45 3gkb n ASP 194 Ca 0.20 0.50 0.07 0.00 0.71 0.00 0.00 54.79 56.27 3gkb n ASP 194 Cb 0.50 -0.51 -0.08 0.00 -0.02 0.00 0.00 41.12 41.01 3gkb n ASP 194 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gkb n GLU 195 N -1.53 2.07 -0.24 -1.24 1.02 -0.22 -4.76 120.64 115.75 3gkb n GLU 195 Ca 0.05 -0.02 -0.07 0.00 -0.02 0.00 0.00 57.16 57.10 3gkb n GLU 195 Cb 0.26 -1.19 0.04 0.00 -0.02 0.00 0.00 31.44 30.53 3gkb n GLU 195 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3gkb h LEU 196 N 0.00 0.91 -0.16 -4.62 5.85 -1.24 -1.57 115.31 114.48 3gkb h LEU 196 Ca 0.00 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3gkb h LEU 196 Cb 0.38 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3gkb h LEU 196 CO 0.00 0.83 0.05 0.44 -0.34 0.00 0.00 178.44 179.42 3gkb h ASP 197 N 0.93 0.24 -0.32 1.25 3.32 -1.86 -1.37 116.42 118.61 3gkb h ASP 197 Ca 0.22 -0.20 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 3gkb h ASP 197 Cb 0.20 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3gkb h ASP 197 CO -0.02 0.38 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.40 3gkb h GLU 198 N 0.09 0.77 -0.07 3.56 5.08 -1.87 -1.94 114.58 120.20 3gkb h GLU 198 Ca 0.05 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3gkb h GLU 198 Cb 0.22 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3gkb h GLU 198 CO -0.00 0.88 0.04 -0.92 -1.00 0.00 0.00 179.01 178.01 3gkb h TYR 199 N 0.69 0.10 -0.60 4.33 3.20 -1.07 -1.03 116.97 122.58 3gkb h TYR 199 Ca 0.11 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 3gkb h TYR 199 Cb 0.64 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 3gkb h TYR 199 CO 0.03 0.14 0.14 0.28 -1.64 0.00 0.00 178.16 177.12 3gkb h VAL 200 N 0.02 1.25 -0.59 1.81 2.07 -1.27 -1.34 116.25 118.20 3gkb h VAL 200 Ca 0.02 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.65 3gkb h VAL 200 Cb 0.08 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 3gkb h VAL 200 CO -0.00 0.34 0.37 -0.78 0.02 0.00 0.00 177.57 177.52 3gkb h ASP 201 N 0.88 0.60 -0.22 0.57 3.58 -1.20 0.20 116.42 120.83 3gkb h ASP 201 Ca 0.19 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.64 3gkb h ASP 201 Cb 0.36 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 3gkb h ASP 201 CO 0.00 0.42 0.14 -0.09 -2.88 0.00 0.00 179.24 176.84 3gkb h ARG 202 N 0.73 0.29 -0.18 0.28 2.43 -0.95 -1.01 114.38 115.97 3gkb h ARG 202 Ca 0.24 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3gkb h ARG 202 Cb 0.01 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3gkb h ARG 202 CO -0.09 0.20 0.11 0.28 -1.51 0.00 0.00 179.97 178.97 3gkb h VAL 203 N 0.30 1.06 -0.35 0.20 2.07 -0.91 -0.07 116.25 118.55 3gkb h VAL 203 Ca 0.08 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3gkb h VAL 203 Cb -0.02 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3gkb h VAL 203 CO -0.02 0.06 0.22 0.00 0.02 0.00 0.00 177.57 177.85 3gkb h ALA 204 N 1.04 0.44 -0.37 1.67 0.00 -0.84 -1.11 119.26 120.10 3gkb h ALA 204 Ca 0.07 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 3gkb h ALA 204 Cb -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3gkb h ALA 204 CO -0.01 -0.08 -0.33 0.00 0.00 0.00 0.00 179.25 178.83 3gkb h ARG 205 N 0.46 0.82 -0.66 0.00 2.47 -1.10 -0.39 114.38 115.97 3gkb h ARG 205 Ca 0.13 -0.39 -0.08 0.00 -1.26 0.00 0.00 59.98 58.38 3gkb h ARG 205 Cb -0.02 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.27 3gkb h ARG 205 CO -0.03 1.02 0.12 -0.91 0.56 0.00 0.00 179.97 180.74 3gkb h ASN 206 N 0.69 1.03 -0.31 7.04 4.21 -0.79 -0.46 115.58 126.99 3gkb h ASN 206 Ca 0.07 -0.24 -0.09 0.00 1.21 0.00 0.00 56.30 57.25 3gkb h ASN 206 Cb 0.88 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.80 3gkb h ASN 206 CO 0.08 1.02 -0.17 0.40 -1.29 0.00 0.00 177.43 177.46 3gkb h ILE 207 N 1.01 1.29 0.00 2.81 2.04 -1.09 -3.03 117.51 120.54 3gkb h ILE 207 Ca 0.20 -1.29 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 3gkb h ILE 207 Cb 0.42 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 3gkb h ILE 207 CO 0.01 0.41 -0.18 0.00 0.00 0.00 0.00 178.15 178.40 3gkb h ALA 208 N 0.75 1.47 0.00 1.87 0.00 -0.82 -2.51 119.26 120.02 3gkb h ALA 208 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3gkb h ALA 208 Cb 0.71 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3gkb h ALA 208 CO 0.05 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.52 3gkb n ALA 209 N -2.40 2.11 -1.68 0.00 0.00 -0.20 -4.88 120.51 113.46 3gkb n ALA 209 Ca -0.02 -0.06 -0.37 0.00 0.00 0.00 0.00 53.44 53.00 3gkb n ALA 209 Cb 0.26 -1.41 0.07 0.00 0.00 0.00 0.00 19.45 18.38 3gkb n ALA 209 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gkb s LEU 210 N -3.46 3.54 0.67 0.00 1.43 -0.95 -4.93 118.68 114.99 3gkb s LEU 210 Ca 0.11 2.62 -0.17 0.00 -1.03 0.00 0.00 54.13 55.65 3gkb s LEU 210 Cb 0.15 -4.62 -0.01 0.00 0.03 0.00 0.00 46.19 41.74 3gkb s LEU 210 CO 0.47 -2.08 1.11 -2.65 0.23 0.00 0.00 176.35 173.43 3gkb n PRO 211 N -2.03 0.81 -1.57 1.29 -0.02 -1.26 -4.88 135.00 127.35 3gkb n PRO 211 Ca 0.16 0.33 -0.49 0.00 -2.02 0.00 0.00 63.50 61.48 3gkb n PRO 211 Cb 0.48 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.58 3gkb n PRO 211 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3gkb n ASP 212 N -1.66 1.21 0.00 2.55 8.00 -1.26 -2.57 116.55 122.82 3gkb n ASP 212 Ca 0.14 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.79 3gkb n ASP 212 Cb 0.48 -1.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.38 3gkb n ASP 212 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gkb n GLY 213 N 1.95 2.42 0.10 0.44 0.00 -1.26 -4.92 105.19 103.92 3gkb n GLY 213 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 3gkb n GLY 213 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gkb h VAL 214 N 0.00 1.40 -0.54 1.61 2.07 -1.84 -1.25 116.25 117.70 3gkb h VAL 214 Ca 0.00 -1.36 0.06 0.00 0.82 0.00 0.00 66.70 66.23 3gkb h VAL 214 Cb 0.00 2.13 -0.06 0.00 -1.52 0.00 0.00 31.29 31.85 3gkb h VAL 214 CO 0.00 0.38 0.24 0.40 0.02 0.00 0.00 177.57 178.60 3gkb h ILE 215 N -0.27 0.88 -0.52 4.57 2.04 -1.91 -0.21 117.51 122.09 3gkb h ILE 215 Ca 0.01 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.72 3gkb h ILE 215 Cb 0.66 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3gkb h ILE 215 CO 0.02 0.08 0.34 -0.33 0.00 0.00 0.00 178.15 178.27 3gkb h GLU 216 N 0.45 0.68 -0.60 2.37 3.07 -1.90 -0.40 114.58 118.25 3gkb h GLU 216 Ca 0.25 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 59.04 3gkb h GLU 216 Cb 0.23 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 3gkb h GLU 216 CO -0.22 0.45 0.26 0.00 -1.40 0.00 0.00 179.01 178.10 3gkb h ALA 217 N 1.19 0.78 -0.36 3.43 0.00 -0.89 -1.08 119.26 122.32 3gkb h ALA 217 Ca 0.19 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3gkb h ALA 217 Cb -0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3gkb h ALA 217 CO -0.04 0.37 0.13 0.00 0.00 0.00 0.00 179.25 179.72 3gkb h ALA 218 N 1.10 0.47 -0.04 0.00 0.00 -0.64 0.09 119.26 120.24 3gkb h ALA 218 Ca 0.20 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3gkb h ALA 218 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3gkb h ALA 218 CO -0.02 0.09 -0.40 0.87 0.00 0.00 0.00 179.25 179.78 3gkb h LYS 219 N 0.44 0.09 -0.43 0.00 1.57 -0.91 -0.82 116.57 116.51 3gkb h LYS 219 Ca 0.12 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 3gkb h LYS 219 Cb 0.21 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3gkb h LYS 219 CO -0.01 0.48 -0.25 0.00 -0.57 0.00 0.00 179.45 179.10 3gkb h ARG 220 N 0.08 0.91 0.00 3.15 3.08 -0.92 -2.85 114.38 117.84 3gkb h ARG 220 Ca 0.01 -0.40 -0.05 0.00 0.07 0.00 0.00 59.98 59.60 3gkb h ARG 220 Cb 0.75 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 3gkb h ARG 220 CO 0.06 1.06 -0.23 0.66 -1.07 0.00 0.00 179.97 180.44 3gkb h SER 221 N 0.78 0.00 -2.13 7.04 4.64 -0.48 -3.34 113.55 120.06 3gkb h SER 221 Ca 0.10 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.84 3gkb h SER 221 Cb 0.82 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.50 3gkb h SER 221 CO 0.07 0.23 -0.83 0.18 -0.87 0.00 0.00 176.83 175.61 3gkb n LEU 222 N -3.35 2.47 -4.77 5.97 4.77 -0.36 -5.09 117.00 116.64 3gkb n LEU 222 Ca 0.01 -5.21 -0.32 0.00 -0.03 0.00 0.00 56.01 50.45 3gkb n LEU 222 Cb 0.46 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.53 3gkb n LEU 222 CO 0.34 2.15 0.72 -2.16 -1.33 0.00 0.00 177.39 177.11 3gkb s PRO 223 N -2.28 2.62 0.46 3.23 0.04 -1.08 -4.74 135.00 133.25 3gkb s PRO 223 Ca 0.40 1.28 -0.24 0.00 0.04 0.00 0.00 61.00 62.48 3gkb s PRO 223 Cb 0.21 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.73 3gkb s PRO 223 CO -0.07 -1.38 1.31 0.00 0.04 0.00 0.00 177.00 176.90 3gkb n ALA 224 N -2.85 1.46 -1.74 8.56 0.00 -1.26 -4.90 120.51 119.78 3gkb n ALA 224 Ca 0.10 0.22 -0.38 0.00 0.00 0.00 0.00 53.44 53.38 3gkb n ALA 224 Cb 0.52 -2.30 0.05 0.00 0.00 0.00 0.00 19.45 17.73 3gkb n ALA 224 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gkb n ASP 225 N -0.15 2.42 -4.54 0.00 9.92 -1.26 -4.93 116.55 118.01 3gkb n ASP 225 Ca 0.07 0.91 -0.42 0.00 -0.53 0.00 0.00 54.79 54.83 3gkb n ASP 225 Cb 0.41 -1.57 -0.03 0.00 -0.64 0.00 0.00 41.12 39.29 3gkb n ASP 225 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3gkb s ASP 226 N -1.11 6.30 -0.07 -2.24 2.15 -1.26 -4.85 116.67 115.59 3gkb s ASP 226 Ca 0.76 -0.30 0.11 0.00 0.43 0.00 0.00 52.55 53.55 3gkb s ASP 226 Cb -0.40 -2.51 0.26 0.00 -0.30 0.00 0.00 42.92 39.97 3gkb s ASP 226 CO 0.45 -1.52 1.19 0.18 -0.17 0.00 0.00 175.17 175.30 3gkb n LEU 227 N 8.39 2.72 0.04 -1.34 4.77 -1.26 -4.86 117.00 125.47 3gkb n LEU 227 Ca 0.04 -2.49 -0.11 0.00 -0.03 0.00 0.00 56.01 53.42 3gkb n LEU 227 Cb 0.48 -0.28 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 3gkb n LEU 227 CO 0.69 0.65 0.76 0.50 -1.33 0.00 0.00 177.39 178.65 3gkb h LYS 228 N 0.88 -0.23 -0.39 3.23 3.64 -1.96 0.77 116.57 122.50 3gkb h LYS 228 Ca 0.00 0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 3gkb h LYS 228 Cb 0.89 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 3gkb h LYS 228 CO 0.05 -0.16 -0.22 0.93 -2.27 0.00 0.00 179.45 177.78 3gkb h GLU 229 N -0.24 0.78 -0.62 1.90 4.39 -1.96 -2.17 114.58 116.65 3gkb h GLU 229 Ca 0.06 -0.31 -0.08 0.00 0.34 0.00 0.00 59.36 59.37 3gkb h GLU 229 Cb 0.33 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 3gkb h GLU 229 CO -0.17 0.93 0.07 0.78 -1.16 0.00 0.00 179.01 179.46 3gkb h GLY 230 N 0.96 1.12 1.09 -3.84 0.00 -1.81 -1.33 103.07 99.27 3gkb h GLY 230 Ca 0.09 -0.77 -0.11 0.00 0.00 0.00 0.00 47.33 46.54 3gkb h GLY 230 CO 0.06 0.71 -0.09 1.41 0.00 0.00 0.00 176.54 178.63 3gkb h LEU 231 N 0.95 1.04 -0.42 3.11 3.38 -0.73 -1.04 115.31 121.60 3gkb h LEU 231 Ca 0.18 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3gkb h LEU 231 Cb 0.47 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3gkb h LEU 231 CO 0.02 1.14 0.27 -0.07 0.09 0.00 0.00 178.44 179.89 3gkb h LEU 232 N 0.92 0.49 -0.95 1.67 3.38 -1.25 -0.83 115.31 118.74 3gkb h LEU 232 Ca 0.14 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3gkb h LEU 232 Cb 0.66 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 3gkb h LEU 232 CO 0.05 0.37 0.62 1.23 0.09 0.00 0.00 178.44 180.80 3gkb h GLY 233 N 0.57 1.34 0.87 0.83 0.00 -1.03 -1.59 103.07 104.05 3gkb h GLY 233 Ca 0.15 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 3gkb h GLY 233 CO -0.03 0.50 0.04 -2.09 0.00 0.00 0.00 176.54 174.96 3gkb h GLU 234 N 1.29 0.43 -0.70 4.80 4.81 -1.02 -1.92 114.58 122.27 3gkb h GLU 234 Ca 0.35 -0.11 0.08 0.00 -0.13 0.00 0.00 59.36 59.55 3gkb h GLU 234 Cb -0.13 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.13 3gkb h GLU 234 CO -0.07 0.55 0.36 -0.97 -0.73 0.00 0.00 179.01 178.14 3gkb h ASN 235 N 0.24 0.48 -0.42 1.04 -1.24 -0.84 0.11 115.58 114.95 3gkb h ASN 235 Ca 0.08 0.05 -0.05 0.00 0.71 0.00 0.00 56.30 57.09 3gkb h ASN 235 Cb 0.32 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.33 3gkb h ASN 235 CO 0.00 0.29 0.06 0.44 -1.29 0.00 0.00 177.43 176.93 3gkb h ASP 236 N 0.62 0.68 -0.47 1.15 3.32 -1.15 0.93 116.42 121.50 3gkb h ASP 236 Ca 0.34 -0.27 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 3gkb h ASP 236 Cb 0.32 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3gkb h ASP 236 CO -0.25 0.77 -0.04 0.00 -1.72 0.00 0.00 179.24 178.01 3gkb h ALA 237 N 0.93 0.63 -0.20 3.45 0.00 -0.94 -2.46 119.26 120.68 3gkb h ALA 237 Ca 0.13 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3gkb h ALA 237 Cb 0.39 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3gkb h ALA 237 CO 0.01 0.46 -0.03 2.35 0.00 0.00 0.00 179.25 182.05 3gkb h TRP 238 N 0.69 0.40 -0.98 0.00 7.01 -0.65 -2.89 115.95 119.54 3gkb h TRP 238 Ca 0.13 -0.08 0.11 0.00 2.11 0.00 0.00 58.89 61.16 3gkb h TRP 238 Cb 0.55 -0.10 -0.08 0.00 -2.10 0.00 0.00 29.16 27.43 3gkb h TRP 238 CO 0.04 0.59 0.61 0.00 -2.79 0.00 0.00 178.44 176.89 3gkb h ALA 239 N 0.76 1.45 -0.17 2.65 0.00 -0.81 -1.97 119.26 121.18 3gkb h ALA 239 Ca 0.05 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3gkb h ALA 239 Cb 0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3gkb h ALA 239 CO 0.02 0.23 -0.14 0.00 0.00 0.00 0.00 179.25 179.36 3gkb h ALA 240 N 1.52 1.46 0.00 0.00 0.00 -1.24 -2.55 119.26 118.46 3gkb h ALA 240 Ca 0.48 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3gkb h ALA 240 Cb 0.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3gkb h ALA 240 CO -0.26 0.38 -0.18 1.79 0.00 0.00 0.00 179.25 180.98 3gkb h THR 241 N 0.25 0.81 0.00 0.00 1.35 -1.22 -1.54 112.91 112.57 3gkb h THR 241 Ca 0.05 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3gkb h THR 241 Cb 0.40 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 3gkb h THR 241 CO 0.02 0.18 0.00 0.49 -0.25 0.00 0.00 175.52 175.96 3gkb n PHE 242 N -3.86 0.00 1.83 4.73 3.01 -0.96 -2.75 117.46 119.45 3gkb n PHE 242 Ca -0.02 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.55 3gkb n PHE 242 Cb 0.28 -0.40 0.59 0.00 -0.01 0.00 0.00 39.48 39.93 3gkb n PHE 242 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3gkb n SER 243 N -1.40 0.40 -4.49 4.37 7.64 -0.58 -4.83 113.62 114.73 3gkb n SER 243 Ca 0.08 -1.41 -0.29 0.00 1.01 0.00 0.00 58.87 58.26 3gkb n SER 243 Cb 0.23 -0.02 -0.11 0.00 -1.01 0.00 0.00 64.21 63.30 3gkb n SER 243 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3gkb s LEU 244 N -1.68 2.71 0.42 -3.43 1.43 -1.11 -5.06 118.68 111.96 3gkb s LEU 244 Ca 0.33 -0.55 0.22 0.00 -1.03 0.00 0.00 54.13 53.10 3gkb s LEU 244 Cb 0.16 -1.56 0.89 0.00 0.03 0.00 0.00 46.19 45.71 3gkb s LEU 244 CO 0.26 0.18 1.82 1.55 0.23 0.00 0.00 176.35 180.39 3gkb h PRO 245 N 3.77 0.00 -0.69 1.29 0.13 -1.88 -3.31 132.00 131.31 3gkb h PRO 245 Ca -0.50 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.72 3gkb h PRO 245 Cb 1.17 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 3gkb h PRO 245 CO 0.46 0.28 0.33 0.00 -0.23 0.00 0.00 178.00 178.84 3gkb h ALA 246 N 1.72 0.94 -0.30 -0.56 0.00 -1.93 -2.99 119.26 116.14 3gkb h ALA 246 Ca -0.00 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3gkb h ALA 246 Cb 0.74 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 3gkb h ALA 246 CO 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 179.25 179.19 3gkb h ALA 247 N 1.42 0.24 -0.07 0.00 0.00 -1.72 0.10 119.26 119.23 3gkb h ALA 247 Ca 0.34 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 55.19 3gkb h ALA 247 Cb 0.36 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3gkb h ALA 247 CO -0.27 -0.43 -0.63 0.37 0.00 0.00 0.00 179.25 178.29 3gkb h GLN 248 N 0.05 0.25 -0.66 0.00 5.75 -1.79 -0.76 115.11 117.95 3gkb h GLN 248 Ca 0.14 -0.18 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 3gkb h GLN 248 Cb 0.21 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 3gkb h GLN 248 CO -0.27 0.80 0.31 1.96 -2.65 0.00 0.00 178.83 178.97 3gkb h GLN 249 N 0.19 0.97 0.02 1.69 4.20 -1.28 -0.90 115.11 119.99 3gkb h GLN 249 Ca -0.01 -0.15 -0.27 0.00 0.06 0.00 0.00 58.65 58.28 3gkb h GLN 249 Cb 1.14 -0.17 0.02 0.00 0.30 0.00 0.00 27.48 28.77 3gkb h GLN 249 CO 0.10 0.78 -1.07 -0.07 -0.67 0.00 0.00 178.83 177.90 3gkb h LEU 250 N 0.93 0.85 -0.22 1.46 3.38 -0.67 -1.50 115.31 119.54 3gkb h LEU 250 Ca 0.23 -0.70 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 3gkb h LEU 250 Cb 0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3gkb h LEU 250 CO -0.03 1.51 0.06 0.40 0.09 0.00 0.00 178.44 180.47 3gkb h ILE 251 N 0.35 1.20 -0.74 1.22 2.04 -1.12 0.31 117.51 120.78 3gkb h ILE 251 Ca -0.13 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 3gkb h ILE 251 Cb 1.72 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 38.96 3gkb h ILE 251 CO 0.21 0.20 0.45 0.28 0.00 0.00 0.00 178.15 179.28 3gkb h SER 252 N 0.18 0.88 -0.70 1.72 0.02 -1.21 -2.29 113.55 112.15 3gkb h SER 252 Ca 0.07 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 3gkb h SER 252 Cb 0.25 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 3gkb h SER 252 CO -0.00 0.68 0.19 1.23 -1.14 0.00 0.00 176.83 177.79 3gkb h GLY 253 N 1.00 1.19 0.94 -3.77 0.00 -1.17 -2.06 103.07 99.20 3gkb h GLY 253 Ca 0.26 -0.73 0.01 0.00 0.00 0.00 0.00 47.33 46.88 3gkb h GLY 253 CO -0.05 0.68 0.12 -1.33 0.00 0.00 0.00 176.54 175.96 3gkb h GLY 254 N 1.04 0.30 0.99 4.60 0.00 -0.71 -1.52 103.07 107.76 3gkb h GLY 254 Ca 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 3gkb h GLY 254 CO -0.00 0.08 0.31 1.41 0.00 0.00 0.00 176.54 178.34 3gkb h LEU 255 N 0.26 0.70 -1.65 3.11 3.38 -1.29 -0.21 115.31 119.60 3gkb h LEU 255 Ca 0.09 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3gkb h LEU 255 Cb 0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3gkb h LEU 255 CO -0.05 0.59 0.24 0.50 0.09 0.00 0.00 178.44 179.82 3gkb h LYS 256 N 0.75 0.47 -0.42 1.13 3.64 -1.14 -2.49 116.57 118.51 3gkb h LYS 256 Ca 0.20 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3gkb h LYS 256 Cb 0.05 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3gkb h LYS 256 CO -0.03 0.31 0.00 -0.25 -2.27 0.00 0.00 179.45 177.21 3gkb n ASP 257 N -4.48 2.76 0.00 4.20 8.00 -0.59 -4.93 116.55 121.51 3gkb n ASP 257 Ca 0.03 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.59 3gkb n ASP 257 Cb 0.07 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 3gkb n ASP 257 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gkb n GLY 258 N 1.35 1.16 3.68 0.44 0.00 -0.94 -4.90 105.19 105.98 3gkb n GLY 258 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3gkb n GLY 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkb n ALA 259 N -1.07 0.87 -1.11 4.61 0.00 -0.14 -2.48 120.51 121.19 3gkb n ALA 259 Ca 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.47 3gkb n ALA 259 Cb 0.00 -2.24 -0.02 0.00 0.00 0.00 0.00 19.45 17.20 3gkb n ALA 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3gkb n GLN 260 N -1.11 -0.40 -4.36 0.00 6.02 -1.26 -4.75 117.38 111.52 3gkb n GLN 260 Ca 0.13 0.53 -0.27 0.00 -0.01 0.00 0.00 57.00 57.38 3gkb n GLN 260 Cb 0.46 -4.16 -0.11 0.00 1.02 0.00 0.00 30.24 27.45 3gkb n GLN 260 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3gkb s THR 261 N -2.07 2.69 0.22 5.09 -4.23 -1.03 -4.72 115.64 111.58 3gkb s THR 261 Ca 0.00 -1.81 -0.08 0.00 -1.18 0.00 0.00 61.69 58.62 3gkb s THR 261 Cb 0.00 -2.29 0.17 0.00 1.34 0.00 0.00 72.50 71.72 3gkb s THR 261 CO 0.00 -0.06 1.79 -0.65 -0.54 0.00 0.00 174.62 175.15 3gkb h PRO 262 N 3.25 0.60 -0.67 3.99 0.11 -1.86 0.36 132.00 137.77 3gkb h PRO 262 Ca -0.47 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 3gkb h PRO 262 Cb 1.20 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 3gkb h PRO 262 CO 0.49 0.40 0.14 0.00 -0.21 0.00 0.00 178.00 178.82 3gkb h ALA 263 N 1.41 0.98 -0.36 -0.75 0.00 -1.97 -2.13 119.26 116.43 3gkb h ALA 263 Ca 0.33 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 3gkb h ALA 263 Cb 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3gkb h ALA 263 CO -0.25 0.65 -0.36 0.78 0.00 0.00 0.00 179.25 180.08 3gkb h GLY 264 N 1.06 0.92 2.00 0.00 0.00 -1.49 -3.18 103.07 102.39 3gkb h GLY 264 Ca 0.21 -0.90 -0.03 0.00 0.00 0.00 0.00 47.33 46.60 3gkb h GLY 264 CO 0.01 0.82 -0.16 0.83 0.00 0.00 0.00 176.54 178.04 3gkb h GLU 265 N 0.70 0.00 -0.34 4.80 4.39 -0.82 -3.20 114.58 120.11 3gkb h GLU 265 Ca 0.07 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.81 3gkb h GLU 265 Cb 0.92 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.53 3gkb h GLU 265 CO 0.08 0.16 0.10 -0.09 -1.16 0.00 0.00 179.01 178.10 3gkb h ARG 266 N 0.00 0.23 -2.24 2.33 2.43 -1.36 -2.80 114.38 112.96 3gkb h ARG 266 Ca -0.00 -0.01 -0.59 0.00 -0.81 0.00 0.00 59.98 58.57 3gkb h ARG 266 Cb 0.95 -0.05 -0.42 0.00 -0.42 0.00 0.00 29.97 30.04 3gkb h ARG 266 CO 0.02 0.15 -0.65 -3.47 -1.51 0.00 0.00 179.97 174.51 3gkb n ASP 267 N -5.05 4.03 0.07 -3.80 2.03 -1.26 -4.91 116.55 107.67 3gkb n ASP 267 Ca 0.01 -3.56 0.09 0.00 0.52 0.00 0.00 54.79 51.84 3gkb n ASP 267 Cb 0.13 -0.60 0.54 0.00 -0.72 0.00 0.00 41.12 40.47 3gkb n ASP 267 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3gkb h LEU 268 N 3.41 0.25 0.05 -2.67 5.85 -1.48 -1.52 115.31 119.20 3gkb h LEU 268 Ca 0.15 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3gkb h LEU 268 Cb 0.58 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3gkb h LEU 268 CO 0.81 0.17 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.72 3gkb h GLU 269 N 0.29 -0.07 -0.57 1.25 3.07 -1.89 0.34 114.58 117.00 3gkb h GLU 269 Ca 0.14 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 59.04 3gkb h GLU 269 Cb 0.19 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.07 3gkb h GLU 269 CO -0.03 0.10 0.32 0.78 -1.40 0.00 0.00 179.01 178.78 3gkb h GLY 270 N -0.23 0.81 0.96 -3.84 0.00 -1.84 -1.30 103.07 97.64 3gkb h GLY 270 Ca -0.01 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.10 3gkb h GLY 270 CO 0.01 0.17 0.16 -2.00 0.00 0.00 0.00 176.54 174.88 3gkb h LEU 271 N 0.62 0.26 -0.92 3.11 5.85 -1.05 -1.91 115.31 121.28 3gkb h LEU 271 Ca 0.24 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.85 3gkb h LEU 271 Cb 0.09 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3gkb h LEU 271 CO -0.13 0.19 -0.42 0.24 -0.34 0.00 0.00 178.44 177.98 3gkb h MET 272 N 0.32 0.26 -0.34 1.25 2.86 -0.69 -0.99 114.93 117.61 3gkb h MET 272 Ca 0.10 -0.12 -0.12 0.00 -2.06 0.00 0.00 59.70 57.49 3gkb h MET 272 Cb -0.01 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3gkb h MET 272 CO -0.04 0.64 -0.29 0.00 1.06 0.00 0.00 176.91 178.28 3gkb h ARG 273 N 0.21 0.70 -0.26 1.72 3.08 -1.03 -1.13 114.38 117.67 3gkb h ARG 273 Ca 0.02 -0.30 -0.15 0.00 0.07 0.00 0.00 59.98 59.62 3gkb h ARG 273 Cb 0.83 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 3gkb h ARG 273 CO 0.07 0.90 -0.43 0.66 -1.07 0.00 0.00 179.97 180.10 3gkb h SER 274 N 0.60 0.71 -0.44 7.04 4.64 -1.09 0.29 113.55 125.30 3gkb h SER 274 Ca 0.07 -0.33 0.05 0.00 -0.47 0.00 0.00 61.79 61.12 3gkb h SER 274 Cb 0.79 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 62.63 3gkb h SER 274 CO 0.06 1.04 0.17 0.58 -0.87 0.00 0.00 176.83 177.82 3gkb h VAL 275 N 0.53 0.88 -0.49 0.95 2.07 -1.03 0.18 116.25 119.34 3gkb h VAL 275 Ca 0.04 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3gkb h VAL 275 Cb 0.97 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3gkb h VAL 275 CO 0.09 0.06 0.22 0.00 0.02 0.00 0.00 177.57 177.96 3gkb h ALA 276 N 1.28 0.64 -0.80 1.67 0.00 -0.91 -1.49 119.26 119.65 3gkb h ALA 276 Ca 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3gkb h ALA 276 Cb 0.18 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3gkb h ALA 276 CO -0.20 0.22 0.46 0.00 0.00 0.00 0.00 179.25 179.74 3gkb h ARG 277 N 0.65 1.10 -0.55 0.00 3.08 -0.75 -2.75 114.38 115.17 3gkb h ARG 277 Ca 0.17 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 3gkb h ARG 277 Cb 0.15 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3gkb h ARG 277 CO -0.02 0.78 -0.11 0.93 -1.07 0.00 0.00 179.97 180.48 3gkb h GLU 278 N 1.11 1.04 -4.23 0.04 5.08 -0.69 -3.47 114.58 113.46 3gkb h GLU 278 Ca 0.29 -0.39 -0.37 0.00 -1.00 0.00 0.00 59.36 57.89 3gkb h GLU 278 Cb -0.01 -0.06 0.06 0.00 0.50 0.00 0.00 28.75 29.24 3gkb h GLU 278 CO -0.05 1.08 -0.56 0.41 -1.00 0.00 0.00 179.01 178.89 3gkb n GLY 279 N -0.26 -0.41 3.77 -3.84 0.00 -0.58 -4.94 105.19 98.93 3gkb n GLY 279 Ca 0.01 0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3gkb n GLY 279 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gkb s HIS 280 N -3.14 2.78 0.28 1.61 3.76 -1.26 -5.00 115.29 114.31 3gkb s HIS 280 Ca 0.30 1.35 -0.20 0.00 -0.15 0.00 0.00 55.06 56.37 3gkb s HIS 280 Cb -0.13 -3.77 0.05 0.00 1.11 0.00 0.00 32.58 29.84 3gkb s HIS 280 CO 0.38 -2.31 0.85 -3.38 -0.85 0.00 0.00 174.74 169.42 3gkb s HIS 281 N -1.20 -0.01 0.60 1.40 -3.43 -1.26 -4.95 115.29 106.44 3gkb s HIS 281 Ca 0.55 -0.50 -0.14 0.00 -0.80 0.00 0.00 55.06 54.17 3gkb s HIS 281 Cb -0.41 0.75 -0.04 0.00 -1.43 0.00 0.00 32.58 31.46 3gkb s HIS 281 CO 0.53 -1.25 1.03 -1.01 -2.00 0.00 0.00 174.74 172.05 3gkb s HIS 282 N -2.84 3.28 -0.27 0.38 3.76 -1.26 -5.07 115.29 113.27 3gkb s HIS 282 Ca 0.15 1.43 -0.03 0.00 -0.15 0.00 0.00 55.06 56.46 3gkb s HIS 282 Cb -0.04 -2.86 0.09 0.00 1.11 0.00 0.00 32.58 30.88 3gkb s HIS 282 CO 0.08 -0.85 0.10 -1.01 -0.85 0.00 0.00 174.74 172.21 3gkb s HIS 283 N -2.79 0.77 -0.26 1.40 3.76 -1.26 -5.03 115.29 111.88 3gkb s HIS 283 Ca 0.59 -1.04 0.12 0.00 -0.15 0.00 0.00 55.06 54.58 3gkb s HIS 283 Cb -0.13 -1.11 0.60 0.00 1.11 0.00 0.00 32.58 33.05 3gkb s HIS 283 CO 0.43 -0.78 1.57 0.72 -0.85 0.00 0.00 174.74 175.84 3gkb n HIS 284 N 5.12 1.54 0.00 1.40 8.25 -1.26 -5.38 115.22 124.89 3gkb n HIS 284 Ca -0.05 -1.20 0.00 0.00 -0.26 0.00 0.00 57.72 56.21 3gkb n HIS 284 Cb 0.43 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 31.04 3gkb n HIS 284 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56