#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gkb s ASP 2 N 0.00 4.06 -0.20 0.00 1.01 -1.26 -5.03 116.67 115.24 1gkb s ASP 2 Ca 0.00 1.68 -0.04 0.00 0.71 0.00 0.00 52.55 54.90 1gkb s ASP 2 Cb 0.00 -2.37 -0.02 0.00 1.01 0.00 0.00 42.92 41.54 1gkb s ASP 2 CO 0.00 -2.30 -0.02 -0.89 0.21 0.00 0.00 175.17 172.17 1gkb s THR 3 N -2.92 3.70 -0.05 -1.27 2.01 -1.26 -5.03 115.64 110.82 1gkb s THR 3 Ca 0.62 -0.40 0.05 0.00 0.31 0.00 0.00 61.69 62.27 1gkb s THR 3 Cb -0.17 -2.67 -0.00 0.00 0.01 0.00 0.00 72.50 69.66 1gkb s THR 3 CO 0.56 0.43 -0.19 -0.63 -0.69 0.00 0.00 174.62 174.10 1gkb s ILE 4 N 1.16 1.59 -0.07 1.82 -1.09 -1.26 -3.27 121.20 120.08 1gkb s ILE 4 Ca 0.02 -0.80 0.04 0.00 -2.23 0.00 0.00 60.65 57.69 1gkb s ILE 4 Cb -0.15 -1.36 -0.00 0.00 -1.58 0.00 0.00 42.46 39.37 1gkb s ILE 4 CO 0.00 0.45 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.27 1gkb s VAL 5 N 0.03 1.74 0.07 2.92 1.01 -0.66 -0.69 120.40 124.81 1gkb s VAL 5 Ca -0.05 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 1gkb s VAL 5 Cb -0.12 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.77 1gkb s VAL 5 CO 0.03 0.49 0.25 0.00 0.00 0.00 0.00 175.10 175.87 1gkb s ALA 6 N 0.15 -0.48 -0.23 5.51 0.00 0.13 -0.78 121.76 126.07 1gkb s ALA 6 Ca -0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 1gkb s ALA 6 Cb -0.14 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.39 1gkb s ALA 6 CO 0.05 -0.46 -0.08 0.08 0.00 0.00 0.00 175.76 175.35 1gkb s VAL 7 N -3.12 2.92 -0.11 0.00 1.01 0.08 -0.48 120.40 120.70 1gkb s VAL 7 Ca -0.01 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 1gkb s VAL 7 Cb 0.01 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1gkb s VAL 7 CO -0.07 0.35 0.18 -1.83 0.00 0.00 0.00 175.10 173.72 1gkb s GLU 8 N 1.38 3.53 -0.66 2.72 -1.05 -0.14 -1.50 118.70 122.96 1gkb s GLU 8 Ca 0.03 -0.06 -0.09 0.00 -0.15 0.00 0.00 54.97 54.71 1gkb s GLU 8 Cb -0.15 -3.20 0.17 0.00 -0.44 0.00 0.00 34.13 30.51 1gkb s GLU 8 CO -0.06 0.75 0.54 -0.51 0.95 0.00 0.00 175.26 176.94 1gkb s LEU 9 N -0.99 5.94 -0.36 1.83 1.02 0.12 -1.28 118.68 124.96 1gkb s LEU 9 Ca 0.16 -2.55 -0.15 0.00 0.02 0.00 0.00 54.13 51.61 1gkb s LEU 9 Cb -0.13 -2.03 -0.01 0.00 0.02 0.00 0.00 46.19 44.04 1gkb s LEU 9 CO 0.05 -0.53 0.34 -0.62 0.02 0.00 0.00 176.35 175.61 1gkb s ASP 10 N 1.77 6.15 0.00 2.29 -1.08 0.11 -1.80 116.67 124.12 1gkb s ASP 10 Ca 0.14 -0.37 0.25 0.00 -0.52 0.00 0.00 52.55 52.06 1gkb s ASP 10 Cb -0.18 -2.19 0.46 0.00 -1.46 0.00 0.00 42.92 39.55 1gkb s ASP 10 CO -0.05 -0.36 1.38 0.35 0.52 0.00 0.00 175.17 177.02 1gkb n THR 11 N 5.23 0.00 -4.34 1.71 -2.24 -0.89 -1.79 114.28 111.97 1gkb n THR 11 Ca -0.10 -0.07 -0.26 0.00 -2.27 0.00 0.00 64.05 61.35 1gkb n THR 11 Cb 0.49 0.49 -0.17 0.00 -2.10 0.00 0.00 70.33 69.05 1gkb n THR 11 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1gkb s TYR 12 N -2.76 1.52 -0.77 4.78 6.14 -1.25 -4.64 117.35 120.37 1gkb s TYR 12 Ca 0.16 -0.65 -0.26 0.00 0.64 0.00 0.00 57.07 56.96 1gkb s TYR 12 Cb 0.18 -1.16 0.02 0.00 0.42 0.00 0.00 41.96 41.42 1gkb s TYR 12 CO 0.64 -0.38 1.40 -1.25 0.64 0.00 0.00 175.55 176.60 1gkb s PRO 13 N 1.05 3.16 -1.19 4.97 0.04 -1.26 -4.92 135.00 136.84 1gkb s PRO 13 Ca -0.07 -0.27 -0.12 0.00 0.04 0.00 0.00 61.00 60.58 1gkb s PRO 13 Cb -0.15 -4.41 0.20 0.00 0.04 0.00 0.00 34.50 30.18 1gkb s PRO 13 CO -0.01 -2.27 1.37 0.09 0.04 0.00 0.00 177.00 176.22 1gkb n ASN 14 N 9.87 5.31 0.28 6.66 4.13 -1.26 -4.82 115.26 135.42 1gkb n ASN 14 Ca 0.11 -3.00 0.15 0.00 1.68 0.00 0.00 54.58 53.52 1gkb n ASN 14 Cb 0.50 -1.52 0.79 0.00 -1.54 0.00 0.00 39.78 38.00 1gkb n ASN 14 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1gkb h THR 15 N 4.35 0.39 0.00 3.41 1.35 -1.86 -1.85 112.91 118.70 1gkb h THR 15 Ca 0.28 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1gkb h THR 15 Cb 0.86 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1gkb h THR 15 CO 1.20 0.08 0.00 -2.24 -0.25 0.00 0.00 175.52 174.31 1gkb h ASP 16 N 0.00 0.00 -0.24 5.36 2.03 -1.87 -2.42 116.42 119.28 1gkb h ASP 16 Ca -0.00 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.22 1gkb h ASP 16 Cb 0.33 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.78 1gkb h ASP 16 CO 0.01 0.00 -0.08 2.30 -1.03 0.00 0.00 179.24 180.44 1gkb n ILE 17 N -2.95 2.34 -0.06 4.15 -5.35 -0.72 -4.98 119.36 111.79 1gkb n ILE 17 Ca 0.00 -2.46 0.00 0.00 -0.27 0.00 0.00 62.75 60.02 1gkb n ILE 17 Cb 0.25 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 1gkb n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gkb n GLY 18 N -0.99 0.45 3.76 3.28 0.00 -0.91 -4.72 105.19 106.07 1gkb n GLY 18 Ca 0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 1gkb n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gkb s ASP 19 N -2.68 5.47 0.89 1.61 1.01 -1.04 -4.92 116.67 117.01 1gkb s ASP 19 Ca 0.00 2.55 -0.12 0.00 0.71 0.00 0.00 52.55 55.69 1gkb s ASP 19 Cb 0.00 -2.62 0.13 0.00 1.01 0.00 0.00 42.92 41.44 1gkb s ASP 19 CO 0.00 -1.42 1.10 -2.16 0.21 0.00 0.00 175.17 172.90 1gkb s PRO 20 N -2.97 1.28 -1.34 8.23 0.04 -1.26 -4.16 135.00 134.82 1gkb s PRO 20 Ca 0.71 0.65 -0.07 0.00 0.04 0.00 0.00 61.00 62.32 1gkb s PRO 20 Cb -0.35 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1gkb s PRO 20 CO 0.40 -2.18 2.73 0.45 0.04 0.00 0.00 177.00 178.44 1gkb n SER 21 N -3.82 8.14 -3.64 6.66 2.88 -1.26 -4.66 113.62 117.93 1gkb n SER 21 Ca 0.07 -2.86 -0.03 0.00 -1.33 0.00 0.00 58.87 54.72 1gkb n SER 21 Cb 0.56 -1.44 -0.03 0.00 -0.75 0.00 0.00 64.21 62.55 1gkb n SER 21 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1gkb s TYR 22 N 0.39 -0.04 0.49 0.66 -0.85 -1.26 -5.05 117.35 111.68 1gkb s TYR 22 Ca 0.62 0.05 -0.23 0.00 -0.52 0.00 0.00 57.07 56.99 1gkb s TYR 22 Cb 0.20 0.50 -0.08 0.00 0.38 0.00 0.00 41.96 42.97 1gkb s TYR 22 CO -0.08 -0.06 1.19 -2.30 -1.52 0.00 0.00 175.55 172.78 1gkb n PRO 23 N 0.17 1.55 -3.58 -3.49 -0.02 -1.26 -4.63 135.00 123.74 1gkb n PRO 23 Ca 0.03 0.56 -0.10 0.00 -2.02 0.00 0.00 63.50 61.97 1gkb n PRO 23 Cb 0.57 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 1gkb n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1gkb s HIS 24 N -1.30 -0.38 0.06 6.00 -3.43 -0.74 -1.48 115.29 114.02 1gkb s HIS 24 Ca 0.67 0.09 0.04 0.00 -0.80 0.00 0.00 55.06 55.07 1gkb s HIS 24 Cb -0.47 0.56 -0.04 0.00 -1.43 0.00 0.00 32.58 31.20 1gkb s HIS 24 CO 0.53 -0.94 -0.03 0.96 -2.00 0.00 0.00 174.74 173.25 1gkb s ILE 25 N -3.81 3.84 0.14 -5.38 -4.36 -0.37 -0.71 121.20 110.55 1gkb s ILE 25 Ca 0.05 -0.95 -0.10 0.00 -0.26 0.00 0.00 60.65 59.39 1gkb s ILE 25 Cb -0.02 -2.77 -0.00 0.00 1.25 0.00 0.00 42.46 40.91 1gkb s ILE 25 CO -0.07 0.21 0.27 -0.83 0.24 0.00 0.00 174.94 174.77 1gkb s GLY 26 N -2.00 0.27 -0.22 6.27 0.00 -0.41 -1.08 107.32 110.16 1gkb s GLY 26 Ca 0.22 -0.71 -0.05 0.00 0.00 0.00 0.00 44.72 44.19 1gkb s GLY 26 CO 0.14 -0.76 -0.02 -0.42 0.00 0.00 0.00 173.10 172.04 1gkb s ILE 27 N -3.92 3.65 -0.24 0.90 1.01 -0.44 -0.97 121.20 121.18 1gkb s ILE 27 Ca 0.12 -0.40 -0.05 0.00 0.00 0.00 0.00 60.65 60.32 1gkb s ILE 27 Cb 0.03 -2.66 -0.00 0.00 0.01 0.00 0.00 42.46 39.84 1gkb s ILE 27 CO -0.05 0.41 -0.01 -1.81 0.00 0.00 0.00 174.94 173.49 1gkb s ASP 28 N 1.34 4.57 -0.44 3.58 1.01 0.37 -0.59 116.67 126.50 1gkb s ASP 28 Ca 0.04 -0.50 0.00 0.00 0.71 0.00 0.00 52.55 52.81 1gkb s ASP 28 Cb -0.14 -1.78 0.12 0.00 1.01 0.00 0.00 42.92 42.12 1gkb s ASP 28 CO -0.01 -0.07 0.20 -0.63 0.21 0.00 0.00 175.17 174.88 1gkb s ILE 29 N 1.48 2.94 -1.46 0.77 -1.09 -1.26 -0.69 121.20 121.88 1gkb s ILE 29 Ca 0.04 -2.48 0.00 0.00 -2.23 0.00 0.00 60.65 55.98 1gkb s ILE 29 Cb -0.15 -3.04 0.00 0.00 -1.58 0.00 0.00 42.46 37.69 1gkb s ILE 29 CO -0.01 -0.71 0.00 0.29 -1.23 0.00 0.00 174.94 173.28 1gkb n LYS 30 N 4.09 -1.63 -3.66 2.79 5.02 0.14 -4.94 118.16 119.97 1gkb n LYS 30 Ca 0.02 0.97 -0.15 0.00 -2.02 0.00 0.00 58.31 57.14 1gkb n LYS 30 Cb 0.40 -5.38 -0.08 0.00 -0.02 0.00 0.00 35.03 29.95 1gkb n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1gkb s SER 31 N -2.48 -0.49 0.56 4.39 0.15 -1.26 -4.94 113.70 109.61 1gkb s SER 31 Ca 0.00 0.73 0.34 0.00 0.70 0.00 0.00 55.95 57.72 1gkb s SER 31 Cb 0.00 0.74 1.44 0.00 -1.71 0.00 0.00 66.02 66.49 1gkb s SER 31 CO 0.00 -0.37 2.01 1.62 1.20 0.00 0.00 173.24 177.70 1gkb h VAL 32 N 3.82 0.02 -1.91 4.45 3.04 -1.84 -3.40 116.25 120.43 1gkb h VAL 32 Ca -0.28 -0.49 -0.55 0.00 -1.01 0.00 0.00 66.70 64.37 1gkb h VAL 32 Cb 1.16 1.48 -0.08 0.00 -2.01 0.00 0.00 31.29 31.84 1gkb h VAL 32 CO 0.29 0.01 1.20 -0.13 -1.01 0.00 0.00 177.57 177.92 1gkb s ARG 33 N -3.71 3.25 0.45 4.17 0.52 -1.26 -4.95 118.95 117.42 1gkb s ARG 33 Ca 0.01 -0.44 -0.24 0.00 -0.52 0.00 0.00 55.73 54.54 1gkb s ARG 33 Cb 0.09 -4.57 -0.09 0.00 0.52 0.00 0.00 34.95 30.90 1gkb s ARG 33 CO 0.54 -2.25 1.13 0.43 0.02 0.00 0.00 175.30 175.17 1gkb n SER 34 N 9.62 1.80 0.18 0.23 7.64 -1.26 -4.80 113.62 127.03 1gkb n SER 34 Ca 0.14 1.03 0.06 0.00 1.01 0.00 0.00 58.87 61.11 1gkb n SER 34 Cb 0.50 -1.43 0.23 0.00 -1.01 0.00 0.00 64.21 62.49 1gkb n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1gkb h LYS 35 N 1.60 0.00 -2.50 1.43 1.79 -1.19 -3.45 116.57 114.24 1gkb h LYS 35 Ca -0.47 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 57.91 1gkb h LYS 35 Cb 1.32 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.74 1gkb h LYS 35 CO 0.57 0.36 -0.12 0.21 -1.08 0.00 0.00 179.45 179.40 1gkb s LYS 36 N -3.31 0.59 0.23 3.15 2.47 -1.24 -5.01 119.74 116.62 1gkb s LYS 36 Ca 0.02 0.71 0.03 0.00 -1.56 0.00 0.00 55.97 55.17 1gkb s LYS 36 Cb 0.09 0.29 -0.05 0.00 -1.46 0.00 0.00 37.83 36.69 1gkb s LYS 36 CO 0.70 -0.07 0.03 0.95 0.16 0.00 0.00 175.35 177.11 1gkb s THR 37 N 0.29 0.84 0.00 3.43 -4.23 -1.26 -1.33 115.64 113.38 1gkb s THR 37 Ca -0.00 -2.01 -0.03 0.00 -1.18 0.00 0.00 61.69 58.47 1gkb s THR 37 Cb -0.04 -2.39 -0.01 0.00 1.34 0.00 0.00 72.50 71.40 1gkb s THR 37 CO 0.00 -0.26 0.04 0.00 -0.54 0.00 0.00 174.62 173.87 1gkb s ALA 38 N -3.55 -0.08 0.32 3.99 0.00 -0.24 -4.97 121.76 117.24 1gkb s ALA 38 Ca 0.30 -0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.70 1gkb s ALA 38 Cb 0.06 0.08 -0.10 0.00 0.00 0.00 0.00 23.12 23.16 1gkb s ALA 38 CO 0.09 -0.14 1.27 0.21 0.00 0.00 0.00 175.76 177.18 1gkb s LYS 39 N -1.08 4.40 -0.15 0.00 2.20 -1.26 -1.23 119.74 122.61 1gkb s LYS 39 Ca -0.12 2.13 0.00 0.00 -0.36 0.00 0.00 55.97 57.63 1gkb s LYS 39 Cb -0.07 -3.08 0.03 0.00 -1.51 0.00 0.00 37.83 33.20 1gkb s LYS 39 CO 0.00 -0.12 -0.10 -0.46 -0.36 0.00 0.00 175.35 174.31 1gkb s TRP 40 N -1.15 1.96 -1.31 4.03 -0.00 -0.55 -4.76 118.94 117.16 1gkb s TRP 40 Ca 0.48 -1.16 -0.16 0.00 -0.00 0.00 0.00 56.10 55.26 1gkb s TRP 40 Cb -0.38 -1.46 0.08 0.00 -0.00 0.00 0.00 33.47 31.71 1gkb s TRP 40 CO 0.50 -0.64 1.78 0.09 -0.00 0.00 0.00 176.95 178.68 1gkb n ASN 41 N 4.82 4.82 -4.75 5.86 3.02 -1.26 -4.41 115.26 123.35 1gkb n ASN 41 Ca -0.14 -2.92 -0.41 0.00 -0.03 0.00 0.00 54.58 51.07 1gkb n ASN 41 Cb 0.49 -1.70 -0.03 0.00 -0.61 0.00 0.00 39.78 37.93 1gkb n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gkb s MET 42 N 3.50 4.48 -0.38 3.52 0.23 -1.26 -5.00 119.30 124.39 1gkb s MET 42 Ca 0.51 1.99 -0.02 0.00 -1.03 0.00 0.00 55.69 57.14 1gkb s MET 42 Cb 0.05 -3.16 0.10 0.00 -1.53 0.00 0.00 34.83 30.28 1gkb s MET 42 CO 0.04 -0.05 0.15 -0.65 -2.03 0.00 0.00 175.02 172.48 1gkb s GLN 43 N -1.09 2.05 -0.08 3.16 -0.21 -1.26 -5.08 119.66 117.15 1gkb s GLN 43 Ca 0.50 -1.71 -0.34 0.00 0.02 0.00 0.00 55.36 53.83 1gkb s GLN 43 Cb -0.35 -3.47 -0.12 0.00 1.00 0.00 0.00 33.01 30.06 1gkb s GLN 43 CO 0.43 -0.97 1.87 -1.71 -2.12 0.00 0.00 175.29 172.80 1gkb n ASN 44 N 4.57 3.45 0.00 5.90 2.85 -1.26 -1.82 115.26 128.95 1gkb n ASN 44 Ca -0.04 0.98 0.00 0.00 -0.11 0.00 0.00 54.58 55.41 1gkb n ASN 44 Cb 0.42 -1.38 0.00 0.00 1.24 0.00 0.00 39.78 40.06 1gkb n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1gkb n GLY 45 N 4.38 1.11 3.73 8.20 0.00 -0.21 -4.98 105.19 117.42 1gkb n GLY 45 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 1gkb n GLY 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gkb s LYS 46 N -0.41 2.97 -0.11 1.61 2.20 -0.76 -4.93 119.74 120.32 1gkb s LYS 46 Ca 0.00 -0.48 -0.30 0.00 -0.36 0.00 0.00 55.97 54.83 1gkb s LYS 46 Cb 0.00 -2.80 -0.02 0.00 -1.51 0.00 0.00 37.83 33.50 1gkb s LYS 46 CO 0.00 0.66 1.14 0.08 -0.36 0.00 0.00 175.35 176.87 1gkb s VAL 47 N -1.07 4.46 0.47 4.02 1.01 -1.26 -4.39 120.40 123.64 1gkb s VAL 47 Ca 0.19 1.76 0.05 0.00 0.00 0.00 0.00 61.98 63.98 1gkb s VAL 47 Cb -0.12 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 1gkb s VAL 47 CO 0.09 -0.04 0.17 -0.83 0.00 0.00 0.00 175.10 174.49 1gkb s GLY 48 N 1.42 2.55 -0.01 4.51 0.00 -0.19 -4.56 107.32 111.03 1gkb s GLY 48 Ca 0.52 -1.47 0.04 0.00 0.00 0.00 0.00 44.72 43.82 1gkb s GLY 48 CO 0.18 -2.01 -0.14 -1.59 0.00 0.00 0.00 173.10 169.54 1gkb s THR 49 N -2.73 1.09 -0.04 0.90 2.01 -0.30 -1.19 115.64 115.38 1gkb s THR 49 Ca 0.29 -0.58 0.06 0.00 0.31 0.00 0.00 61.69 61.78 1gkb s THR 49 Cb 0.02 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.60 1gkb s THR 49 CO 0.17 0.31 -0.24 0.00 -0.69 0.00 0.00 174.62 174.17 1gkb s ALA 50 N -0.25 2.24 -0.07 7.40 0.00 0.25 -1.27 121.76 130.05 1gkb s ALA 50 Ca 0.04 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.94 1gkb s ALA 50 Cb -0.06 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.40 1gkb s ALA 50 CO -0.00 0.47 -0.08 -1.58 0.00 0.00 0.00 175.76 174.58 1gkb s HIS 51 N -0.40 1.16 -0.06 0.00 5.04 0.37 -1.48 115.29 119.91 1gkb s HIS 51 Ca 0.04 -0.44 0.02 0.00 -1.54 0.00 0.00 55.06 53.14 1gkb s HIS 51 Cb -0.12 -0.95 0.01 0.00 0.04 0.00 0.00 32.58 31.56 1gkb s HIS 51 CO 0.01 -0.31 -0.12 0.42 -2.34 0.00 0.00 174.74 172.41 1gkb s ILE 52 N 1.10 1.12 0.03 0.89 1.01 0.57 -0.60 121.20 125.32 1gkb s ILE 52 Ca -0.07 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.11 1gkb s ILE 52 Cb -0.14 -1.02 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 1gkb s ILE 52 CO -0.01 0.35 -0.05 0.27 0.00 0.00 0.00 174.94 175.50 1gkb s ILE 53 N 0.62 0.27 -0.17 2.92 -4.36 -0.30 -0.29 121.20 119.89 1gkb s ILE 53 Ca -0.14 -1.07 -0.20 0.00 -0.26 0.00 0.00 60.65 58.99 1gkb s ILE 53 Cb -0.15 -0.52 0.05 0.00 1.25 0.00 0.00 42.46 43.09 1gkb s ILE 53 CO 0.03 -0.52 0.54 -0.47 0.24 0.00 0.00 174.94 174.76 1gkb s TYR 54 N -1.71 -0.57 0.08 1.37 5.04 -0.82 -1.37 117.35 119.37 1gkb s TYR 54 Ca -0.11 1.32 -0.01 0.00 -2.44 0.00 0.00 57.07 55.83 1gkb s TYR 54 Cb -0.08 0.22 -0.04 0.00 0.35 0.00 0.00 41.96 42.41 1gkb s TYR 54 CO -0.01 -0.33 -0.00 0.54 -1.34 0.00 0.00 175.55 174.41 1gkb s ASN 55 N 0.00 0.43 0.00 4.32 2.20 -1.26 -1.49 114.94 119.14 1gkb s ASN 55 Ca -0.02 -1.07 0.28 0.00 -0.94 0.00 0.00 52.86 51.11 1gkb s ASN 55 Cb -0.04 0.23 1.09 0.00 -2.00 0.00 0.00 41.25 40.54 1gkb s ASN 55 CO 0.02 -0.64 1.82 -1.54 -2.94 0.00 0.00 177.10 173.82 1gkb n SER 56 N 0.04 0.11 -0.00 3.54 3.41 0.01 -0.38 113.62 120.35 1gkb n SER 56 Ca -0.11 0.32 -0.09 0.00 -0.26 0.00 0.00 58.87 58.73 1gkb n SER 56 Cb 0.62 -0.33 -0.07 0.00 -0.26 0.00 0.00 64.21 64.16 1gkb n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1gkb h VAL 57 N 0.01 0.90 0.00 -3.33 2.07 -1.92 -3.37 116.25 110.60 1gkb h VAL 57 Ca 0.00 -1.43 -0.21 0.00 0.82 0.00 0.00 66.70 65.88 1gkb h VAL 57 Cb 0.50 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1gkb h VAL 57 CO 0.00 0.27 -1.17 0.44 0.02 0.00 0.00 177.57 177.13 1gkb h ASP 58 N -0.94 0.00 -6.16 0.57 3.32 -1.97 -3.48 116.42 107.77 1gkb h ASP 58 Ca -0.01 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.61 1gkb h ASP 58 Cb 0.53 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.12 1gkb h ASP 58 CO 0.02 0.87 -0.85 0.29 -1.72 0.00 0.00 179.24 177.85 1gkb n LYS 59 N -3.19 -4.38 -3.86 3.56 5.02 0.49 -4.91 118.16 110.90 1gkb n LYS 59 Ca -0.06 0.58 -0.27 0.00 -2.02 0.00 0.00 58.31 56.54 1gkb n LYS 59 Cb 0.93 -5.02 -0.17 0.00 -0.02 0.00 0.00 35.03 30.75 1gkb n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1gkb s ARG 60 N -6.05 1.23 -0.22 1.97 3.52 -1.26 -1.67 118.95 116.47 1gkb s ARG 60 Ca 0.03 -0.34 -0.21 0.00 -0.13 0.00 0.00 55.73 55.08 1gkb s ARG 60 Cb -0.01 -1.75 -0.02 0.00 -1.56 0.00 0.00 34.95 31.61 1gkb s ARG 60 CO 0.83 -0.39 0.63 -1.17 -0.81 0.00 0.00 175.30 174.38 1gkb s LEU 61 N 1.73 4.10 0.08 -0.88 2.96 -0.32 -4.33 118.68 122.03 1gkb s LEU 61 Ca 0.02 0.77 0.06 0.00 -0.22 0.00 0.00 54.13 54.77 1gkb s LEU 61 Cb -0.14 -2.87 -0.03 0.00 0.50 0.00 0.00 46.19 43.64 1gkb s LEU 61 CO -0.07 -0.32 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.03 1gkb s SER 62 N 1.32 2.05 0.01 3.68 0.01 -0.47 -1.04 113.70 119.26 1gkb s SER 62 Ca 0.27 -0.64 0.01 0.00 1.31 0.00 0.00 55.95 56.90 1gkb s SER 62 Cb -0.16 -0.09 -0.01 0.00 0.21 0.00 0.00 66.02 65.97 1gkb s SER 62 CO 0.09 -0.01 -0.03 0.00 0.41 0.00 0.00 173.24 173.70 1gkb s ALA 63 N -1.21 0.18 -0.08 1.44 0.00 0.48 -1.15 121.76 121.43 1gkb s ALA 63 Ca 0.02 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.70 1gkb s ALA 63 Cb -0.10 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.06 1gkb s ALA 63 CO 0.03 -0.03 -0.12 0.08 0.00 0.00 0.00 175.76 175.72 1gkb s VAL 64 N -0.60 1.19 -0.05 0.00 1.01 0.23 -0.97 120.40 121.21 1gkb s VAL 64 Ca -0.05 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.48 1gkb s VAL 64 Cb -0.04 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 1gkb s VAL 64 CO -0.00 0.37 -0.18 -0.69 0.00 0.00 0.00 175.10 174.60 1gkb s VAL 65 N 0.80 1.48 0.23 2.92 1.01 -0.07 -0.48 120.40 126.29 1gkb s VAL 65 Ca -0.12 -0.73 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 1gkb s VAL 65 Cb -0.15 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 34.99 1gkb s VAL 65 CO 0.02 0.42 0.64 -0.94 0.00 0.00 0.00 175.10 175.24 1gkb s SER 66 N 0.09 -0.33 0.11 3.32 1.04 -0.40 -0.90 113.70 116.63 1gkb s SER 66 Ca -0.06 -0.44 0.10 0.00 0.48 0.00 0.00 55.95 56.04 1gkb s SER 66 Cb -0.12 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 1gkb s SER 66 CO 0.03 -1.18 -0.25 -0.31 0.98 0.00 0.00 173.24 172.50 1gkb s TYR 67 N -3.87 2.18 0.32 5.02 2.02 -1.26 -1.15 117.35 120.60 1gkb s TYR 67 Ca 0.09 -0.39 -0.29 0.00 -0.37 0.00 0.00 57.07 56.11 1gkb s TYR 67 Cb -0.03 -1.21 -0.13 0.00 -0.40 0.00 0.00 41.96 40.19 1gkb s TYR 67 CO -0.00 0.27 1.31 -2.30 -1.57 0.00 0.00 175.55 173.26 1gkb n PRO 68 N 1.12 2.10 -0.83 -1.71 -0.02 -1.26 -1.36 135.00 133.03 1gkb n PRO 68 Ca -0.18 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1gkb n PRO 68 Cb 0.53 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1gkb n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1gkb n ASN 69 N 1.13 -2.54 -4.76 2.55 3.02 -1.26 -4.99 115.26 108.41 1gkb n ASN 69 Ca 0.06 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.38 1gkb n ASN 69 Cb 0.35 -2.10 -0.06 0.00 -0.61 0.00 0.00 39.78 37.36 1gkb n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gkb s ALA 70 N -1.65 3.63 0.27 5.41 0.00 -0.46 -5.11 121.76 123.85 1gkb s ALA 70 Ca 0.00 -1.92 -0.29 0.00 0.00 0.00 0.00 51.96 49.75 1gkb s ALA 70 Cb 0.00 -0.68 -0.09 0.00 0.00 0.00 0.00 23.12 22.34 1gkb s ALA 70 CO 0.00 -0.07 1.00 -0.51 0.00 0.00 0.00 175.76 176.18 1gkb s ASP 71 N -3.92 7.42 0.70 0.00 1.01 -1.26 -4.66 116.67 115.97 1gkb s ASP 71 Ca 0.41 2.05 -0.11 0.00 0.71 0.00 0.00 52.55 55.61 1gkb s ASP 71 Cb -0.01 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.32 1gkb s ASP 71 CO 0.24 -0.01 1.08 -0.94 0.21 0.00 0.00 175.17 175.74 1gkb s SER 72 N -1.15 5.41 -0.10 0.27 1.04 -1.26 -4.76 113.70 113.15 1gkb s SER 72 Ca 0.44 1.31 -0.01 0.00 0.48 0.00 0.00 55.95 58.18 1gkb s SER 72 Cb -0.27 -2.17 -0.03 0.00 0.10 0.00 0.00 66.02 63.65 1gkb s SER 72 CO 0.34 -1.38 -0.06 0.00 0.98 0.00 0.00 173.24 173.11 1gkb s ALA 73 N -3.22 2.98 0.02 5.32 0.00 -0.08 -4.98 121.76 121.79 1gkb s ALA 73 Ca 0.58 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.71 1gkb s ALA 73 Cb -0.12 -1.32 -0.01 0.00 0.00 0.00 0.00 23.12 21.66 1gkb s ALA 73 CO 0.53 0.46 -0.10 0.99 0.00 0.00 0.00 175.76 177.64 1gkb s THR 74 N -0.43 0.81 -0.00 0.00 2.01 -1.26 -0.89 115.64 115.88 1gkb s THR 74 Ca 0.06 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.37 1gkb s THR 74 Cb -0.12 -0.73 -0.00 0.00 0.01 0.00 0.00 72.50 71.65 1gkb s THR 74 CO 0.02 0.04 -0.01 0.54 -0.69 0.00 0.00 174.62 174.52 1gkb s VAL 75 N -0.61 0.10 0.03 3.82 0.11 -0.14 -4.72 120.40 118.98 1gkb s VAL 75 Ca 0.01 -0.08 0.01 0.00 -2.93 0.00 0.00 61.98 58.99 1gkb s VAL 75 Cb -0.06 -0.10 -0.02 0.00 -1.53 0.00 0.00 36.38 34.67 1gkb s VAL 75 CO 0.00 0.01 -0.05 -0.44 -3.33 0.00 0.00 175.10 171.30 1gkb s SER 76 N -0.07 0.53 -0.13 3.54 0.01 -1.26 -0.39 113.70 115.93 1gkb s SER 76 Ca 0.00 -0.43 -0.06 0.00 1.31 0.00 0.00 55.95 56.77 1gkb s SER 76 Cb -0.01 0.04 0.05 0.00 0.21 0.00 0.00 66.02 66.32 1gkb s SER 76 CO -0.00 -0.19 0.29 -0.47 0.41 0.00 0.00 173.24 173.28 1gkb s TYR 77 N -1.15 -0.42 -0.12 2.43 5.04 -0.20 -4.92 117.35 118.00 1gkb s TYR 77 Ca -0.10 0.95 -0.29 0.00 -2.44 0.00 0.00 57.07 55.18 1gkb s TYR 77 Cb -0.08 0.08 -0.02 0.00 0.35 0.00 0.00 41.96 42.29 1gkb s TYR 77 CO -0.00 -0.29 1.28 -0.51 -1.34 0.00 0.00 175.55 174.69 1gkb s ASP 78 N 1.56 6.95 -0.25 4.32 1.01 -1.26 -1.17 116.67 127.82 1gkb s ASP 78 Ca -0.07 1.78 -0.15 0.00 0.71 0.00 0.00 52.55 54.82 1gkb s ASP 78 Cb -0.10 -2.54 0.07 0.00 1.01 0.00 0.00 42.92 41.36 1gkb s ASP 78 CO -0.10 -0.73 0.62 0.54 0.21 0.00 0.00 175.17 175.72 1gkb s VAL 79 N 3.16 -0.01 -0.62 -1.27 0.11 -0.67 -4.97 120.40 116.13 1gkb s VAL 79 Ca 0.57 0.02 -0.20 0.00 -2.93 0.00 0.00 61.98 59.43 1gkb s VAL 79 Cb -0.24 -0.90 0.09 0.00 -1.53 0.00 0.00 36.38 33.80 1gkb s VAL 79 CO 0.18 0.01 0.81 -0.62 -3.33 0.00 0.00 175.10 172.15 1gkb s ASP 80 N 1.46 6.18 0.58 3.54 -1.08 -1.26 -4.39 116.67 121.70 1gkb s ASP 80 Ca -0.09 -1.24 0.33 0.00 -0.52 0.00 0.00 52.55 51.03 1gkb s ASP 80 Cb -0.06 -2.35 1.79 0.00 -1.46 0.00 0.00 42.92 40.85 1gkb s ASP 80 CO -0.16 -1.25 2.19 -0.07 0.52 0.00 0.00 175.17 176.40 1gkb h LEU 81 N 10.55 0.00 -1.95 -1.34 -0.00 -1.98 -1.98 115.31 118.61 1gkb h LEU 81 Ca -0.29 0.00 0.17 0.00 -0.00 0.00 0.00 57.88 57.76 1gkb h LEU 81 Cb 1.08 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.71 1gkb h LEU 81 CO 1.13 0.05 0.44 0.44 -0.00 0.00 0.00 178.44 180.50 1gkb h ASP 82 N 0.00 0.05 -0.15 -0.43 5.19 -1.91 0.55 116.42 119.72 1gkb h ASP 82 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1gkb h ASP 82 Cb 0.18 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.68 1gkb h ASP 82 CO 0.01 0.02 0.00 0.59 -3.12 0.00 0.00 179.24 176.74 1gkb n ASN 83 N -4.37 2.07 -0.01 6.45 3.02 -0.74 -4.53 115.26 117.14 1gkb n ASN 83 Ca 0.12 -1.73 -0.03 0.00 -0.03 0.00 0.00 54.58 52.91 1gkb n ASN 83 Cb 0.66 -0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.73 1gkb n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1gkb n VAL 84 N 0.59 0.13 -3.93 2.41 0.31 0.06 -5.08 118.33 112.83 1gkb n VAL 84 Ca 0.17 -0.04 -0.24 0.00 -0.01 0.00 0.00 64.34 64.22 1gkb n VAL 84 Cb 0.41 -1.41 -0.03 0.00 -0.91 0.00 0.00 33.84 31.91 1gkb n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1gkb s LEU 85 N -6.00 4.32 0.89 7.52 1.43 -0.49 -4.97 118.68 121.38 1gkb s LEU 85 Ca -0.03 0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.11 1gkb s LEU 85 Cb 0.01 -2.91 0.13 0.00 0.03 0.00 0.00 46.19 43.45 1gkb s LEU 85 CO 0.04 -0.00 1.10 -2.16 0.23 0.00 0.00 176.35 175.56 1gkb s PRO 86 N -3.54 1.26 0.23 1.29 0.04 -1.26 -4.78 135.00 128.24 1gkb s PRO 86 Ca 0.35 1.16 -0.08 0.00 0.04 0.00 0.00 61.00 62.47 1gkb s PRO 86 Cb -0.10 -1.78 0.20 0.00 0.04 0.00 0.00 34.50 32.86 1gkb s PRO 86 CO 0.29 -2.34 1.90 0.93 0.04 0.00 0.00 177.00 177.82 1gkb h GLU 87 N -1.64 1.15 -5.82 4.56 5.08 -1.94 -3.41 114.58 112.56 1gkb h GLU 87 Ca -0.47 -0.07 -0.67 0.00 -1.00 0.00 0.00 59.36 57.15 1gkb h GLU 87 Cb 1.27 -0.26 -0.20 0.00 0.50 0.00 0.00 28.75 30.06 1gkb h GLU 87 CO 0.49 0.77 -0.69 -1.58 -1.00 0.00 0.00 179.01 177.00 1gkb s TRP 88 N -6.11 2.97 0.28 4.33 0.52 -1.26 -1.14 118.94 118.52 1gkb s TRP 88 Ca -0.13 -0.11 0.03 0.00 0.02 0.00 0.00 56.10 55.91 1gkb s TRP 88 Cb 0.16 -1.80 -0.03 0.00 -1.15 0.00 0.00 33.47 30.66 1gkb s TRP 88 CO 0.80 0.19 0.25 0.14 0.02 0.00 0.00 176.95 178.35 1gkb s VAL 89 N -0.38 0.00 0.19 4.03 -7.23 -0.24 -4.43 120.40 112.33 1gkb s VAL 89 Ca 0.06 -1.94 0.10 0.00 -1.81 0.00 0.00 61.98 58.38 1gkb s VAL 89 Cb -0.12 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 1gkb s VAL 89 CO 0.02 0.00 -0.15 -0.13 -0.31 0.00 0.00 175.10 174.54 1gkb s ARG 90 N -3.67 1.86 0.10 4.82 0.52 -0.45 -0.36 118.95 121.78 1gkb s ARG 90 Ca 0.39 -1.37 0.07 0.00 -0.52 0.00 0.00 55.73 54.30 1gkb s ARG 90 Cb 0.04 -2.04 -0.04 0.00 0.52 0.00 0.00 34.95 33.42 1gkb s ARG 90 CO 0.21 0.42 -0.11 0.14 0.02 0.00 0.00 175.30 175.99 1gkb s VAL 91 N -1.71 3.33 0.23 3.52 -7.23 -1.26 -1.33 120.40 115.96 1gkb s VAL 91 Ca 0.24 -1.27 -0.14 0.00 -1.81 0.00 0.00 61.98 59.00 1gkb s VAL 91 Cb -0.08 -2.55 0.05 0.00 0.56 0.00 0.00 36.38 34.36 1gkb s VAL 91 CO 0.13 0.12 0.69 0.61 -0.31 0.00 0.00 175.10 176.35 1gkb n GLY 92 N 0.75 1.01 3.25 2.32 0.00 -0.18 -1.42 105.19 110.93 1gkb n GLY 92 Ca -0.14 -1.15 -0.26 0.00 0.00 0.00 0.00 46.02 44.47 1gkb n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gkb s LEU 93 N 0.00 2.16 0.04 0.99 1.43 -0.15 -0.89 118.68 122.26 1gkb s LEU 93 Ca 0.15 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1gkb s LEU 93 Cb -0.03 -0.99 -0.02 0.00 0.03 0.00 0.00 46.19 45.17 1gkb s LEU 93 CO 0.07 0.17 0.02 -0.55 0.23 0.00 0.00 176.35 176.29 1gkb s SER 94 N -1.12 0.30 0.16 2.29 0.15 0.27 -0.77 113.70 114.97 1gkb s SER 94 Ca 0.08 -0.68 -0.21 0.00 0.70 0.00 0.00 55.95 55.83 1gkb s SER 94 Cb -0.09 0.19 0.06 0.00 -1.71 0.00 0.00 66.02 64.47 1gkb s SER 94 CO 0.02 -0.49 0.56 0.00 1.20 0.00 0.00 173.24 174.53 1gkb s ALA 95 N -2.77 -1.44 0.13 5.45 0.00 -0.77 -0.19 121.76 122.18 1gkb s ALA 95 Ca -0.04 0.34 -0.16 0.00 0.00 0.00 0.00 51.96 52.11 1gkb s ALA 95 Cb -0.00 0.85 0.03 0.00 0.00 0.00 0.00 23.12 24.00 1gkb s ALA 95 CO -0.06 -0.75 0.41 -1.54 0.00 0.00 0.00 175.76 173.83 1gkb s SER 96 N -2.77 -0.24 0.23 0.00 1.04 -1.01 -2.39 113.70 108.56 1gkb s SER 96 Ca 0.02 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.13 1gkb s SER 96 Cb -0.01 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.55 1gkb s SER 96 CO -0.12 -0.88 0.04 0.42 0.98 0.00 0.00 173.24 173.68 1gkb s THR 97 N -3.82 0.78 0.00 2.02 -4.23 -0.12 -0.96 115.64 109.31 1gkb s THR 97 Ca 0.04 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1gkb s THR 97 Cb 0.02 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.44 1gkb s THR 97 CO -0.11 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 1gkb n GLY 98 N -0.41 4.03 0.21 3.99 0.00 -1.26 -1.71 105.19 110.05 1gkb n GLY 98 Ca -0.03 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.52 1gkb n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1gkb h LEU 99 N 0.00 0.61-10.21 0.99 6.46 -1.97 -1.06 115.31 110.12 1gkb h LEU 99 Ca 0.00 -0.07 -0.47 0.00 -0.12 0.00 0.00 57.88 57.22 1gkb h LEU 99 Cb 0.00 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 39.77 1gkb h LEU 99 CO 0.00 0.51 -0.34 -0.31 -0.62 0.00 0.00 178.44 177.68 1gkb s TYR 100 N -5.92 3.46 0.28 1.25 2.02 -1.26 -4.91 117.35 112.27 1gkb s TYR 100 Ca -0.13 0.12 -0.03 0.00 -0.37 0.00 0.00 57.07 56.66 1gkb s TYR 100 Cb 0.12 -1.70 -0.02 0.00 -0.40 0.00 0.00 41.96 39.96 1gkb s TYR 100 CO 0.75 0.31 0.35 -1.59 -1.57 0.00 0.00 175.55 173.80 1gkb s LYS 101 N -4.12 1.60 -0.13 -0.62 -2.85 -1.24 -4.39 119.74 107.99 1gkb s LYS 101 Ca 0.36 -1.63 -0.33 0.00 -1.00 0.00 0.00 55.97 53.37 1gkb s LYS 101 Cb -0.09 0.38 0.13 0.00 -2.06 0.00 0.00 37.83 36.19 1gkb s LYS 101 CO 0.32 -0.62 1.11 -1.83 0.10 0.00 0.00 175.35 174.43 1gkb s GLU 102 N -3.66 0.47 0.42 1.78 -1.05 -1.13 -3.25 118.70 112.27 1gkb s GLU 102 Ca 0.32 -0.17 -0.23 0.00 -0.15 0.00 0.00 54.97 54.74 1gkb s GLU 102 Cb 0.02 0.21 -0.09 0.00 -0.44 0.00 0.00 34.13 33.83 1gkb s GLU 102 CO 0.16 -0.20 1.03 0.95 0.95 0.00 0.00 175.26 178.15 1gkb s THR 103 N -2.64 3.84 -0.53 1.83 -4.23 -0.04 -4.76 115.64 109.11 1gkb s THR 103 Ca 0.08 1.32 0.07 0.00 -1.18 0.00 0.00 61.69 61.99 1gkb s THR 103 Cb -0.01 -3.64 0.29 0.00 1.34 0.00 0.00 72.50 70.48 1gkb s THR 103 CO -0.06 -0.07 0.76 0.59 -0.54 0.00 0.00 174.62 175.30 1gkb n ASN 104 N -0.29 2.83 -4.72 3.99 3.02 -1.26 -3.80 115.26 115.02 1gkb n ASN 104 Ca 0.06 -3.31 -0.39 0.00 -0.03 0.00 0.00 54.58 50.91 1gkb n ASN 104 Cb 0.51 -0.62 -0.05 0.00 -0.61 0.00 0.00 39.78 39.00 1gkb n ASN 104 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1gkb s THR 105 N -2.83 5.07 -0.20 3.41 2.01 -0.89 -2.10 115.64 120.10 1gkb s THR 105 Ca 0.42 1.27 -0.05 0.00 0.31 0.00 0.00 61.69 63.63 1gkb s THR 105 Cb 0.23 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1gkb s THR 105 CO -0.08 0.30 0.00 -0.63 -0.69 0.00 0.00 174.62 173.52 1gkb s ILE 106 N 0.60 4.00 -0.06 1.82 -1.09 0.11 -1.02 121.20 125.55 1gkb s ILE 106 Ca 0.33 -0.30 0.20 0.00 -2.23 0.00 0.00 60.65 58.65 1gkb s ILE 106 Cb -0.17 -2.80 -0.31 0.00 -1.58 0.00 0.00 42.46 37.60 1gkb s ILE 106 CO 0.16 0.43 0.38 0.18 -1.23 0.00 0.00 174.94 174.86 1gkb n LEU 107 N 4.14 0.00 -3.50 2.97 4.32 -0.17 -1.80 117.00 122.97 1gkb n LEU 107 Ca -0.17 0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.65 1gkb n LEU 107 Cb 0.52 0.10 -0.05 0.00 -1.62 0.00 0.00 43.42 42.37 1gkb n LEU 107 CO 0.32 0.10 0.44 -0.94 -1.22 0.00 0.00 177.39 176.08 1gkb s SER 108 N -4.59 -0.64 -0.20 -1.43 1.04 -1.23 -4.53 113.70 102.11 1gkb s SER 108 Ca -0.08 0.56 -0.11 0.00 0.48 0.00 0.00 55.95 56.80 1gkb s SER 108 Cb 0.12 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.85 1gkb s SER 108 CO 0.85 -0.68 0.49 0.86 0.98 0.00 0.00 173.24 175.74 1gkb s TRP 109 N -1.72 -0.73 0.11 5.02 -0.00 -0.28 -1.95 118.94 119.39 1gkb s TRP 109 Ca -0.08 1.53 0.04 0.00 -0.00 0.00 0.00 56.10 57.58 1gkb s TRP 109 Cb -0.00 0.37 -0.04 0.00 -0.00 0.00 0.00 33.47 33.80 1gkb s TRP 109 CO 0.05 -0.39 -0.10 -1.54 -0.00 0.00 0.00 176.95 174.97 1gkb s SER 110 N 1.46 1.51 -0.08 5.86 1.04 0.56 -0.31 113.70 123.75 1gkb s SER 110 Ca -0.10 -0.87 -0.13 0.00 0.48 0.00 0.00 55.95 55.34 1gkb s SER 110 Cb -0.07 0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.08 1gkb s SER 110 CO -0.15 -0.29 0.33 0.12 0.98 0.00 0.00 173.24 174.24 1gkb s PHE 111 N -2.69 -0.29 -0.03 5.02 5.36 -0.30 -1.62 117.98 123.43 1gkb s PHE 111 Ca 0.08 0.64 -0.01 0.00 -0.96 0.00 0.00 56.93 56.68 1gkb s PHE 111 Cb -0.01 0.12 0.02 0.00 -0.34 0.00 0.00 43.02 42.81 1gkb s PHE 111 CO -0.00 -0.27 0.06 0.99 -1.46 0.00 0.00 175.22 174.54 1gkb s THR 112 N -0.47 -0.03 0.03 0.12 2.01 0.00 -1.35 115.64 115.94 1gkb s THR 112 Ca -0.06 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.09 1gkb s THR 112 Cb -0.04 -0.11 -0.02 0.00 0.01 0.00 0.00 72.50 72.34 1gkb s THR 112 CO 0.02 0.05 -0.07 -0.94 -0.69 0.00 0.00 174.62 172.99 1gkb s SER 113 N 0.70 0.85 -0.02 3.53 1.04 -0.17 -0.93 113.70 118.70 1gkb s SER 113 Ca -0.06 -0.38 -0.03 0.00 0.48 0.00 0.00 55.95 55.97 1gkb s SER 113 Cb -0.08 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1gkb s SER 113 CO -0.03 -0.08 0.07 -0.54 0.98 0.00 0.00 173.24 173.64 1gkb s LYS 114 N -1.01 0.17 -0.10 4.02 1.02 -0.17 -1.16 119.74 122.52 1gkb s LYS 114 Ca -0.05 -0.05 -0.01 0.00 0.02 0.00 0.00 55.97 55.88 1gkb s LYS 114 Cb -0.07 0.07 0.03 0.00 -0.52 0.00 0.00 37.83 37.35 1gkb s LYS 114 CO 0.00 -0.03 -0.01 -0.51 -0.92 0.00 0.00 175.35 173.89 1gkb s LEU 115 N -0.35 0.77 -0.24 3.17 1.43 -0.36 -1.84 118.68 121.26 1gkb s LEU 115 Ca -0.04 -0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 52.73 1gkb s LEU 115 Cb -0.03 -0.53 -0.05 0.00 0.03 0.00 0.00 46.19 45.62 1gkb s LEU 115 CO 0.00 -0.20 0.15 -0.75 0.23 0.00 0.00 176.35 175.78 1gkb s LYS 116 N 1.91 4.05 0.26 1.70 2.20 -0.09 -0.92 119.74 128.86 1gkb s LYS 116 Ca 0.04 -0.28 -0.30 0.00 -0.36 0.00 0.00 55.97 55.07 1gkb s LYS 116 Cb -0.13 -3.51 -0.10 0.00 -1.51 0.00 0.00 37.83 32.59 1gkb s LYS 116 CO -0.06 0.07 1.36 0.45 -0.36 0.00 0.00 175.35 176.80 1gkb s SER 117 N 1.02 6.77 0.34 1.43 0.15 -0.41 0.74 113.70 123.74 1gkb s SER 117 Ca 0.07 2.59 0.18 0.00 0.70 0.00 0.00 55.95 59.48 1gkb s SER 117 Cb -0.13 -2.63 0.47 0.00 -1.71 0.00 0.00 66.02 62.02 1gkb s SER 117 CO 0.04 -0.59 1.63 -1.13 1.20 0.00 0.00 173.24 174.39 1gkb h ASN 118 N 4.62 0.00 0.38 5.45 -0.73 -0.94 0.58 115.58 124.95 1gkb h ASN 118 Ca -0.46 0.00 -0.32 0.00 1.87 0.00 0.00 56.30 57.39 1gkb h ASN 118 Cb 1.22 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.80 1gkb h ASN 118 CO 0.74 0.42 -1.60 0.77 -0.37 0.00 0.00 177.43 177.39 1gkb h SER 119 N 0.00 0.44 0.00 1.15 4.64 -1.92 -3.41 113.55 114.45 1gkb h SER 119 Ca -0.00 -0.63 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 1gkb h SER 119 Cb 1.08 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1gkb h SER 119 CO 0.05 1.53 -1.22 0.35 -0.87 0.00 0.00 176.83 176.67 1gkb n THR 120 N -3.48 0.00 -1.35 2.95 -2.24 -1.24 -5.00 114.28 103.92 1gkb n THR 120 Ca -0.19 -0.20 -0.12 0.00 -2.27 0.00 0.00 64.05 61.27 1gkb n THR 120 Cb 1.05 0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 69.65 1gkb n THR 120 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1gkb n HIS 121 N -1.69 0.00 -3.81 4.78 8.25 0.19 -5.00 115.22 117.94 1gkb n HIS 121 Ca -0.01 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.23 1gkb n HIS 121 Cb 0.20 -2.27 -0.02 0.00 1.12 0.00 0.00 29.99 29.02 1gkb n HIS 121 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1gkb s GLU 122 N -2.95 3.43 0.01 -0.41 2.02 -1.26 -4.78 118.70 114.77 1gkb s GLU 122 Ca 0.00 -0.67 0.06 0.00 0.02 0.00 0.00 54.97 54.38 1gkb s GLU 122 Cb 0.00 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 1gkb s GLU 122 CO 0.00 0.34 -0.18 0.99 0.02 0.00 0.00 175.26 176.44 1gkb s THR 123 N -2.07 2.81 -0.07 3.63 2.01 -1.26 -1.29 115.64 119.40 1gkb s THR 123 Ca 0.36 -1.06 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 1gkb s THR 123 Cb -0.09 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1gkb s THR 123 CO 0.31 0.42 0.11 0.20 -0.69 0.00 0.00 174.62 174.97 1gkb s ASN 124 N -1.20 6.05 -0.01 3.53 -0.87 -0.10 -4.96 114.94 117.38 1gkb s ASN 124 Ca 0.14 0.32 -0.07 0.00 -1.57 0.00 0.00 52.86 51.68 1gkb s ASN 124 Cb -0.10 -1.87 0.01 0.00 -0.02 0.00 0.00 41.25 39.26 1gkb s ASN 124 CO 0.04 0.34 0.15 0.00 -2.57 0.00 0.00 177.10 175.06 1gkb s ALA 125 N -1.10 -0.35 -0.03 0.60 0.00 -1.26 -1.23 121.76 118.39 1gkb s ALA 125 Ca 0.19 0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.21 1gkb s ALA 125 Cb -0.12 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 1gkb s ALA 125 CO 0.09 -0.18 -0.16 -1.17 0.00 0.00 0.00 175.76 174.35 1gkb s LEU 126 N -1.02 1.94 -0.05 0.00 2.96 -0.31 -5.00 118.68 117.21 1gkb s LEU 126 Ca -0.11 -0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 53.47 1gkb s LEU 126 Cb -0.06 -0.85 0.02 0.00 0.50 0.00 0.00 46.19 45.80 1gkb s LEU 126 CO 0.01 0.16 0.11 -2.28 -1.32 0.00 0.00 176.35 173.03 1gkb s HIS 127 N -0.10 -0.11 0.04 5.38 5.65 -1.26 -1.00 115.29 123.88 1gkb s HIS 127 Ca 0.00 0.33 0.02 0.00 0.25 0.00 0.00 55.06 55.67 1gkb s HIS 127 Cb -0.09 -0.04 -0.03 0.00 -1.18 0.00 0.00 32.58 31.24 1gkb s HIS 127 CO 0.01 -0.10 -0.07 -0.59 -0.65 0.00 0.00 174.74 173.34 1gkb s PHE 128 N 0.60 0.63 -0.11 3.88 -0.12 -0.45 -5.00 117.98 117.41 1gkb s PHE 128 Ca -0.05 -0.55 -0.04 0.00 -0.05 0.00 0.00 56.93 56.25 1gkb s PHE 128 Cb -0.06 -0.38 0.05 0.00 -0.63 0.00 0.00 43.02 41.99 1gkb s PHE 128 CO -0.03 -0.11 0.07 1.41 -0.05 0.00 0.00 175.22 176.52 1gkb s MET 129 N -1.79 0.04 -0.29 1.99 1.75 -1.26 -1.15 119.30 118.59 1gkb s MET 129 Ca -0.09 0.11 -0.09 0.00 -1.25 0.00 0.00 55.69 54.37 1gkb s MET 129 Cb -0.08 -1.25 -0.02 0.00 2.84 0.00 0.00 34.83 36.32 1gkb s MET 129 CO -0.00 -0.51 0.14 -0.06 -0.65 0.00 0.00 175.02 173.93 1gkb s PHE 130 N 2.14 3.16 -0.18 4.11 0.08 0.58 -4.91 117.98 122.95 1gkb s PHE 130 Ca 0.03 -0.43 0.13 0.00 0.12 0.00 0.00 56.93 56.78 1gkb s PHE 130 Cb -0.14 -2.33 -0.19 0.00 -0.57 0.00 0.00 43.02 39.79 1gkb s PHE 130 CO -0.06 -0.39 0.36 0.09 -0.10 0.00 0.00 175.22 175.12 1gkb n ASN 131 N 4.98 1.57 -4.06 1.36 3.02 -1.26 -1.12 115.26 119.75 1gkb n ASN 131 Ca -0.14 -0.23 -0.10 0.00 -0.03 0.00 0.00 54.58 54.07 1gkb n ASN 131 Cb 0.50 1.44 -0.11 0.00 -0.61 0.00 0.00 39.78 41.00 1gkb n ASN 131 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gkb s GLN 132 N -2.73 0.53 -0.17 3.52 -2.07 -1.26 -4.72 119.66 112.75 1gkb s GLN 132 Ca -0.02 -0.88 0.01 0.00 -1.82 0.00 0.00 55.36 52.65 1gkb s GLN 132 Cb 0.09 -0.07 0.02 0.00 -1.09 0.00 0.00 33.01 31.95 1gkb s GLN 132 CO 0.55 -0.02 -0.19 -0.06 -1.32 0.00 0.00 175.29 174.25 1gkb s PHE 133 N -2.19 2.63 0.79 9.60 0.40 0.19 -5.01 117.98 124.39 1gkb s PHE 133 Ca -0.05 -1.52 -0.10 0.00 -0.60 0.00 0.00 56.93 54.65 1gkb s PHE 133 Cb -0.05 -1.83 0.09 0.00 0.51 0.00 0.00 43.02 41.74 1gkb s PHE 133 CO -0.03 -0.75 1.14 -1.54 0.70 0.00 0.00 175.22 174.74 1gkb s SER 134 N 1.27 4.44 0.51 1.36 1.04 -1.26 -2.79 113.70 118.26 1gkb s SER 134 Ca 0.03 0.58 0.23 0.00 0.48 0.00 0.00 55.95 57.28 1gkb s SER 134 Cb -0.13 -1.07 1.36 0.00 0.10 0.00 0.00 66.02 66.28 1gkb s SER 134 CO -0.11 -1.90 2.07 0.50 0.98 0.00 0.00 173.24 174.78 1gkb h LYS 135 N -0.96 0.00 -2.94 4.02 3.11 -1.84 -3.25 116.57 114.71 1gkb h LYS 135 Ca -0.45 0.00 -0.61 0.00 -2.81 0.00 0.00 60.65 56.78 1gkb h LYS 135 Cb 1.31 0.00 -0.40 0.00 -1.00 0.00 0.00 32.23 32.14 1gkb h LYS 135 CO 0.60 0.12 -0.74 0.34 -2.81 0.00 0.00 179.45 176.96 1gkb s ASP 136 N -6.43 3.55 -0.78 4.20 2.15 -1.26 -4.77 116.67 113.33 1gkb s ASP 136 Ca -0.03 -2.82 -0.11 0.00 0.43 0.00 0.00 52.55 50.02 1gkb s ASP 136 Cb 0.14 -1.04 0.20 0.00 -0.30 0.00 0.00 42.92 41.92 1gkb s ASP 136 CO 0.62 -0.24 0.68 -1.58 -0.17 0.00 0.00 175.17 174.48 1gkb s GLN 137 N 0.11 3.31 0.33 4.34 2.00 -1.24 -4.91 119.66 123.59 1gkb s GLN 137 Ca 0.20 -2.51 0.26 0.00 -2.00 0.00 0.00 55.36 51.31 1gkb s GLN 137 Cb -0.19 -4.22 1.08 0.00 0.80 0.00 0.00 33.01 30.48 1gkb s GLN 137 CO -0.04 -1.26 1.78 0.87 -0.50 0.00 0.00 175.29 176.14 1gkb h LYS 138 N 7.51 0.00 -0.55 1.67 1.57 -1.96 -2.10 116.57 122.71 1gkb h LYS 138 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1gkb h LYS 138 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1gkb h LYS 138 CO 0.74 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.22 1gkb n ASP 139 N -2.43 2.94 -4.30 0.86 5.68 -1.26 -4.79 116.55 113.25 1gkb n ASP 139 Ca 0.02 -2.17 -0.30 0.00 -0.50 0.00 0.00 54.79 51.84 1gkb n ASP 139 Cb 0.24 -0.40 -0.16 0.00 -1.14 0.00 0.00 41.12 39.66 1gkb n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1gkb s LEU 140 N -1.21 2.07 -0.40 -2.12 1.43 -0.79 -0.91 118.68 116.75 1gkb s LEU 140 Ca 0.32 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 52.79 1gkb s LEU 140 Cb 0.19 -1.29 0.01 0.00 0.03 0.00 0.00 46.19 45.13 1gkb s LEU 140 CO 0.18 0.30 0.35 -0.63 0.23 0.00 0.00 176.35 176.78 1gkb s ILE 141 N -0.63 5.19 -0.06 -0.59 1.01 0.35 -4.92 121.20 121.56 1gkb s ILE 141 Ca 0.10 -0.42 -0.21 0.00 0.00 0.00 0.00 60.65 60.12 1gkb s ILE 141 Cb -0.10 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1gkb s ILE 141 CO -0.00 -0.29 0.61 -0.76 0.00 0.00 0.00 174.94 174.50 1gkb s LEU 142 N 1.88 4.34 0.11 2.97 1.43 -1.26 -0.93 118.68 127.22 1gkb s LEU 142 Ca 0.08 1.09 0.10 0.00 -1.03 0.00 0.00 54.13 54.38 1gkb s LEU 142 Cb -0.18 -2.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.06 1gkb s LEU 142 CO 0.11 -0.02 -0.26 -1.10 0.23 0.00 0.00 176.35 175.32 1gkb s GLN 143 N 0.42 1.39 7.61 1.70 -0.21 -0.11 -4.99 119.66 125.48 1gkb s GLN 143 Ca 0.33 -1.28 0.00 0.00 0.02 0.00 0.00 55.36 54.43 1gkb s GLN 143 Cb -0.17 -1.80 0.00 0.00 1.00 0.00 0.00 33.01 32.04 1gkb s GLN 143 CO 0.16 0.43 0.00 0.41 -2.12 0.00 0.00 175.29 174.17 1gkb n GLY 144 N 1.06 3.01 0.54 3.09 0.00 -1.26 -1.33 105.19 110.30 1gkb n GLY 144 Ca -0.18 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 45.75 1gkb n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gkb n ASP 145 N 5.98 1.65 -4.75 1.61 8.00 0.51 -4.94 116.55 124.61 1gkb n ASP 145 Ca 0.00 -1.67 -0.41 0.00 0.71 0.00 0.00 54.79 53.41 1gkb n ASP 145 Cb 0.00 -0.09 -0.02 0.00 -0.02 0.00 0.00 41.12 40.99 1gkb n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gkb s ALA 146 N -1.82 3.71 0.10 2.24 0.00 -1.06 -4.36 121.76 120.57 1gkb s ALA 146 Ca 0.33 1.51 0.03 0.00 0.00 0.00 0.00 51.96 53.83 1gkb s ALA 146 Cb 0.18 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1gkb s ALA 146 CO 0.27 -0.93 -0.08 0.95 0.00 0.00 0.00 175.76 175.98 1gkb s THR 147 N -0.03 0.81 0.11 0.00 -4.23 -0.41 -4.75 115.64 107.13 1gkb s THR 147 Ca 0.62 -1.81 0.07 0.00 -1.18 0.00 0.00 61.69 59.39 1gkb s THR 147 Cb -0.46 -1.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.81 1gkb s THR 147 CO 0.47 -0.73 -0.17 0.42 -0.54 0.00 0.00 174.62 174.06 1gkb s THR 148 N -3.09 1.48 0.00 3.99 -4.23 -1.26 -0.84 115.64 111.69 1gkb s THR 148 Ca 0.09 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 1gkb s THR 148 Cb 0.01 -1.46 0.00 0.00 1.34 0.00 0.00 72.50 72.40 1gkb s THR 148 CO -0.02 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1gkb n GLY 149 N 0.92 2.27 3.63 3.99 0.00 -0.66 -4.12 105.19 111.22 1gkb n GLY 149 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1gkb n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gkb s THR 150 N -2.12 4.19 -1.36 2.61 2.01 -1.25 -2.42 115.64 117.31 1gkb s THR 150 Ca 0.00 1.35 0.00 0.00 0.31 0.00 0.00 61.69 63.35 1gkb s THR 150 Cb 0.00 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.31 1gkb s THR 150 CO 0.00 -0.48 0.00 0.47 -0.69 0.00 0.00 174.62 173.92 1gkb n ASP 151 N 7.51 -3.86 0.00 3.53 8.00 -1.26 -1.16 116.55 129.31 1gkb n ASP 151 Ca 0.14 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.92 1gkb n ASP 151 Cb 0.47 -3.45 0.00 0.00 -0.02 0.00 0.00 41.12 38.11 1gkb n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gkb n GLY 152 N -0.47 0.50 3.78 0.44 0.00 -1.02 -4.99 105.19 103.43 1gkb n GLY 152 Ca -0.15 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 1gkb n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1gkb s ASN 153 N -2.19 4.77 -0.32 1.61 0.01 -0.31 -0.64 114.94 117.88 1gkb s ASN 153 Ca 0.00 -0.80 -0.10 0.00 -0.71 0.00 0.00 52.86 51.25 1gkb s ASN 153 Cb 0.00 -0.67 -0.01 0.00 0.41 0.00 0.00 41.25 40.98 1gkb s ASN 153 CO 0.00 -0.43 0.17 -0.22 -1.51 0.00 0.00 177.10 175.11 1gkb s LEU 154 N -3.93 4.19 -0.45 0.60 2.96 -0.74 -1.65 118.68 119.66 1gkb s LEU 154 Ca 0.41 -0.50 -0.14 0.00 -0.22 0.00 0.00 54.13 53.68 1gkb s LEU 154 Cb -0.02 -2.03 0.06 0.00 0.50 0.00 0.00 46.19 44.71 1gkb s LEU 154 CO 0.24 -0.20 0.35 -1.61 -1.32 0.00 0.00 176.35 173.81 1gkb s GLU 155 N 1.64 2.92 0.20 1.98 0.41 -0.02 0.05 118.70 125.88 1gkb s GLU 155 Ca 0.05 -1.30 -0.07 0.00 -0.41 0.00 0.00 54.97 53.24 1gkb s GLU 155 Cb -0.17 -4.04 0.13 0.00 -1.78 0.00 0.00 34.13 28.27 1gkb s GLU 155 CO 0.07 -0.95 1.68 -0.07 -0.49 0.00 0.00 175.26 175.50 1gkb h LEU 156 N 8.67 1.01 -9.60 1.80 3.38 -1.68 -1.10 115.31 117.79 1gkb h LEU 156 Ca -0.27 -0.26 -0.59 0.00 0.09 0.00 0.00 57.88 56.84 1gkb h LEU 156 Cb 1.11 -0.27 -0.11 0.00 0.09 0.00 0.00 40.66 41.48 1gkb h LEU 156 CO 0.83 1.04 -0.62 0.42 0.09 0.00 0.00 178.44 180.20 1gkb s THR 157 N -5.08 2.46 0.14 0.22 -4.23 -1.26 -2.96 115.64 104.93 1gkb s THR 157 Ca -0.11 -1.99 -0.33 0.00 -1.18 0.00 0.00 61.69 58.07 1gkb s THR 157 Cb 0.14 -2.81 -0.13 0.00 1.34 0.00 0.00 72.50 71.05 1gkb s THR 157 CO 0.85 -0.16 1.70 -1.14 -0.54 0.00 0.00 174.62 175.32 1gkb n ARG 158 N -0.95 2.43 -4.88 3.99 3.00 -1.26 -4.79 116.66 114.20 1gkb n ARG 158 Ca -0.04 0.88 -0.28 0.00 -0.00 0.00 0.00 57.85 58.41 1gkb n ARG 158 Cb 0.63 -2.70 -0.17 0.00 0.00 0.00 0.00 32.46 30.22 1gkb n ARG 158 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1gkb s VAL 159 N 1.66 1.55 1.07 5.15 1.01 -1.26 -1.40 120.40 128.18 1gkb s VAL 159 Ca 0.80 -0.73 -0.17 0.00 0.00 0.00 0.00 61.98 61.88 1gkb s VAL 159 Cb -0.60 -1.36 0.23 0.00 0.00 0.00 0.00 36.38 34.65 1gkb s VAL 159 CO 0.38 0.45 1.17 -0.94 0.00 0.00 0.00 175.10 176.15 1gkb s SER 160 N 0.41 2.08 0.25 3.32 1.04 0.19 -4.91 113.70 116.08 1gkb s SER 160 Ca -0.14 0.64 -0.06 0.00 0.48 0.00 0.00 55.95 56.87 1gkb s SER 160 Cb -0.16 -0.92 0.28 0.00 0.10 0.00 0.00 66.02 65.32 1gkb s SER 160 CO 0.05 -3.40 1.91 -1.28 0.98 0.00 0.00 173.24 171.50 1gkb h SER 161 N -2.09 1.08 0.00 7.02 0.87 -2.01 -2.66 113.55 115.76 1gkb h SER 161 Ca -0.47 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1gkb h SER 161 Cb 1.29 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1gkb h SER 161 CO 0.42 0.76 0.00 -0.46 -0.53 0.00 0.00 176.83 177.02 1gkb n ASN 162 N -4.44 0.00 0.00 6.23 0.23 -1.26 -4.82 115.26 111.19 1gkb n ASN 162 Ca 0.12 -1.01 0.00 0.00 -0.53 0.00 0.00 54.58 53.16 1gkb n ASN 162 Cb 0.06 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 1gkb n ASN 162 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1gkb n GLY 163 N 0.09 1.03 3.77 4.83 0.00 -1.00 -5.05 105.19 108.87 1gkb n GLY 163 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1gkb n GLY 163 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gkb s SER 164 N -3.06 7.05 0.45 1.61 0.15 -1.26 -4.80 113.70 113.84 1gkb s SER 164 Ca 0.00 1.25 -0.23 0.00 0.70 0.00 0.00 55.95 57.67 1gkb s SER 164 Cb 0.00 -2.38 -0.08 0.00 -1.71 0.00 0.00 66.02 61.85 1gkb s SER 164 CO 0.00 0.15 1.12 -2.16 1.20 0.00 0.00 173.24 173.55 1gkb s PRO 165 N -0.49 3.87 0.20 5.44 0.04 -1.26 0.53 135.00 143.33 1gkb s PRO 165 Ca 0.31 1.66 0.05 0.00 0.04 0.00 0.00 61.00 63.06 1gkb s PRO 165 Cb -0.19 -2.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.90 1gkb s PRO 165 CO 0.19 -0.43 0.19 -0.65 0.04 0.00 0.00 177.00 176.35 1gkb s GLN 166 N -2.70 3.02 0.73 4.56 -1.52 -0.50 -4.83 119.66 118.43 1gkb s GLN 166 Ca 0.62 -0.89 -0.07 0.00 -1.95 0.00 0.00 55.36 53.08 1gkb s GLN 166 Cb -0.25 -2.68 0.09 0.00 -0.22 0.00 0.00 33.01 29.94 1gkb s GLN 166 CO 0.31 0.46 1.04 0.20 -0.25 0.00 0.00 175.29 177.05 1gkb s GLY 167 N -3.44 1.72 -1.48 3.09 0.00 -1.26 -4.43 107.32 101.52 1gkb s GLY 167 Ca 0.32 -1.10 -0.01 0.00 0.00 0.00 0.00 44.72 43.93 1gkb s GLY 167 CO 0.25 -0.63 0.28 1.44 0.00 0.00 0.00 173.10 174.45 1gkb n SER 168 N -2.99 0.01 -4.37 1.64 7.64 -0.40 -4.81 113.62 110.33 1gkb n SER 168 Ca 0.10 -1.11 -0.30 0.00 1.01 0.00 0.00 58.87 58.57 1gkb n SER 168 Cb 0.60 -2.49 -0.14 0.00 -1.01 0.00 0.00 64.21 61.18 1gkb n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1gkb s SER 169 N -4.32 3.28 -0.07 6.43 0.15 -1.11 -4.95 113.70 113.12 1gkb s SER 169 Ca 0.04 -0.62 -0.05 0.00 0.70 0.00 0.00 55.95 56.02 1gkb s SER 169 Cb -0.02 -0.31 0.02 0.00 -1.71 0.00 0.00 66.02 64.00 1gkb s SER 169 CO 0.93 0.24 0.18 0.54 1.20 0.00 0.00 173.24 176.33 1gkb s VAL 170 N -0.89 -0.01 -0.12 4.45 0.11 -1.26 -0.95 120.40 121.72 1gkb s VAL 170 Ca 0.13 0.05 -0.24 0.00 -2.93 0.00 0.00 61.98 58.98 1gkb s VAL 170 Cb -0.10 -0.27 0.06 0.00 -1.53 0.00 0.00 36.38 34.54 1gkb s VAL 170 CO 0.04 0.02 0.60 -0.83 -3.33 0.00 0.00 175.10 171.59 1gkb s GLY 171 N 0.42 -0.46 0.06 6.54 0.00 -1.01 -0.36 107.32 112.51 1gkb s GLY 171 Ca -0.03 1.35 -0.03 0.00 0.00 0.00 0.00 44.72 46.01 1gkb s GLY 171 CO -0.02 1.07 0.04 0.50 0.00 0.00 0.00 173.10 174.68 1gkb s ARG 172 N -0.55 0.67 -0.05 2.90 0.52 -0.44 -1.85 118.95 120.14 1gkb s ARG 172 Ca -0.07 -1.11 -0.00 0.00 -0.52 0.00 0.00 55.73 54.03 1gkb s ARG 172 Cb -0.03 0.25 0.03 0.00 0.52 0.00 0.00 34.95 35.72 1gkb s ARG 172 CO 0.05 -0.15 -0.01 0.00 0.02 0.00 0.00 175.30 175.20 1gkb s ALA 173 N -3.79 0.58 0.01 2.13 0.00 0.06 -0.93 121.76 119.81 1gkb s ALA 173 Ca 0.05 -0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.06 1gkb s ALA 173 Cb 0.06 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 1gkb s ALA 173 CO -0.10 -0.22 -0.17 -0.51 0.00 0.00 0.00 175.76 174.76 1gkb s LEU 174 N 1.39 2.62 0.37 0.00 2.01 -0.11 -0.98 118.68 123.99 1gkb s LEU 174 Ca -0.04 -0.35 -0.27 0.00 0.01 0.00 0.00 54.13 53.47 1gkb s LEU 174 Cb -0.13 -1.53 -0.09 0.00 0.01 0.00 0.00 46.19 44.44 1gkb s LEU 174 CO -0.03 0.29 1.29 0.12 1.01 0.00 0.00 176.35 179.03 1gkb s PHE 175 N -0.85 2.95 0.15 0.29 5.36 -0.51 -0.49 117.98 124.88 1gkb s PHE 175 Ca 0.14 1.43 -0.11 0.00 -0.96 0.00 0.00 56.93 57.42 1gkb s PHE 175 Cb -0.11 -3.65 0.00 0.00 -0.34 0.00 0.00 43.02 38.93 1gkb s PHE 175 CO 0.04 -1.91 1.55 -0.92 -1.46 0.00 0.00 175.22 172.52 1gkb h TYR 176 N 2.99 1.07 -3.43 10.12 5.03 -1.38 -3.43 116.97 127.95 1gkb h TYR 176 Ca -0.49 -0.24 -0.52 0.00 2.58 0.00 0.00 58.73 60.05 1gkb h TYR 176 Cb 1.24 -0.26 0.01 0.00 1.55 0.00 0.00 36.73 39.27 1gkb h TYR 176 CO 0.54 1.04 0.55 0.00 -1.32 0.00 0.00 178.16 178.98 1gkb s ALA 177 N -4.75 3.43 0.55 1.82 0.00 -1.26 -5.02 121.76 116.53 1gkb s ALA 177 Ca -0.12 0.92 -0.22 0.00 0.00 0.00 0.00 51.96 52.55 1gkb s ALA 177 Cb 0.12 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 1gkb s ALA 177 CO 0.85 -0.37 1.36 -2.30 0.00 0.00 0.00 175.76 175.30 1gkb n PRO 178 N 2.76 1.67 -5.08 0.00 -0.02 -1.26 -4.78 135.00 128.28 1gkb n PRO 178 Ca 0.05 0.61 -0.32 0.00 -2.02 0.00 0.00 63.50 61.82 1gkb n PRO 178 Cb 0.45 -2.58 -0.16 0.00 -0.02 0.00 0.00 33.50 31.19 1gkb n PRO 178 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1gkb s VAL 179 N -1.29 2.46 -0.60 -1.45 1.01 0.52 -4.94 120.40 116.10 1gkb s VAL 179 Ca 0.72 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 1gkb s VAL 179 Cb -0.41 -1.95 0.08 0.00 0.00 0.00 0.00 36.38 34.10 1gkb s VAL 179 CO 0.49 0.56 0.78 -2.28 0.00 0.00 0.00 175.10 174.64 1gkb s HIS 180 N -0.01 2.90 -0.12 5.22 2.46 -1.26 -1.08 115.29 123.41 1gkb s HIS 180 Ca -0.07 -0.73 0.16 0.00 0.47 0.00 0.00 55.06 54.90 1gkb s HIS 180 Cb -0.15 -4.02 -0.13 0.00 -0.13 0.00 0.00 32.58 28.15 1gkb s HIS 180 CO 0.05 -1.36 0.84 0.97 -2.47 0.00 0.00 174.74 172.77 1gkb h ILE 181 N 5.93 0.54 -3.73 0.89 6.09 -1.44 -3.47 117.51 122.32 1gkb h ILE 181 Ca -0.29 -2.05 -0.08 0.00 -1.37 0.00 0.00 64.86 61.07 1gkb h ILE 181 Cb 1.08 2.08 -0.13 0.00 0.47 0.00 0.00 36.82 40.32 1gkb h ILE 181 CO 1.10 0.31 -0.28 -1.66 -3.07 0.00 0.00 178.15 174.55 1gkb s TRP 182 N -2.90 0.14 -0.25 2.19 1.48 -1.23 -4.86 118.94 113.52 1gkb s TRP 182 Ca -0.03 -0.53 -0.17 0.00 -1.06 0.00 0.00 56.10 54.32 1gkb s TRP 182 Cb 0.09 0.03 0.07 0.00 -1.16 0.00 0.00 33.47 32.49 1gkb s TRP 182 CO 0.81 -0.65 0.62 -2.00 -4.06 0.00 0.00 176.95 171.67 1gkb s GLU 183 N -3.88 0.66 0.26 3.25 2.12 -1.26 -4.75 118.70 115.10 1gkb s GLU 183 Ca 0.08 1.03 -0.03 0.00 0.36 0.00 0.00 54.97 56.42 1gkb s GLU 183 Cb 0.04 0.18 0.40 0.00 0.26 0.00 0.00 34.13 35.01 1gkb s GLU 183 CO -0.07 -0.13 1.86 0.77 -0.54 0.00 0.00 175.26 177.15 1gkb h SER 184 N 6.41 0.95 -0.12 -1.70 0.02 -2.01 -1.65 113.55 115.45 1gkb h SER 184 Ca -0.31 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1gkb h SER 184 Cb 1.20 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1gkb h SER 184 CO 0.17 0.59 0.00 -1.54 -1.14 0.00 0.00 176.83 174.91 1gkb n SER 185 N -4.56 0.75 -4.72 3.07 3.41 -1.26 -4.81 113.62 105.50 1gkb n SER 185 Ca 0.15 -1.84 -0.39 0.00 -0.26 0.00 0.00 58.87 56.53 1gkb n SER 185 Cb 0.21 -0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.03 1gkb n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gkb s ALA 186 N -1.84 3.42 0.14 7.33 0.00 -0.62 -0.26 121.76 129.92 1gkb s ALA 186 Ca 0.17 -0.06 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 1gkb s ALA 186 Cb 0.08 -2.80 -0.07 0.00 0.00 0.00 0.00 23.12 20.33 1gkb s ALA 186 CO 0.12 -0.08 1.33 -0.24 0.00 0.00 0.00 175.76 176.89 1gkb h VAL 187 N 4.77 1.39 -3.58 0.00 3.04 0.09 -3.45 116.25 118.51 1gkb h VAL 187 Ca -0.40 -2.37 -0.20 0.00 -1.01 0.00 0.00 66.70 62.72 1gkb h VAL 187 Cb 1.18 2.34 -0.26 0.00 -2.01 0.00 0.00 31.29 32.55 1gkb h VAL 187 CO 0.76 0.71 -0.62 -0.69 -1.01 0.00 0.00 177.57 176.72 1gkb s VAL 188 N -3.35 0.02 0.03 1.51 1.01 -1.20 -4.93 120.40 113.48 1gkb s VAL 188 Ca -0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 1gkb s VAL 188 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 36.29 1gkb s VAL 188 CO 0.86 -0.09 0.07 0.00 0.00 0.00 0.00 175.10 175.94 1gkb s ALA 189 N -0.26 -0.04 0.09 5.51 0.00 -1.26 -0.91 121.76 124.88 1gkb s ALA 189 Ca -0.03 -0.51 -0.26 0.00 0.00 0.00 0.00 51.96 51.17 1gkb s ALA 189 Cb -0.02 0.19 0.07 0.00 0.00 0.00 0.00 23.12 23.36 1gkb s ALA 189 CO 0.00 -0.25 0.63 -1.54 0.00 0.00 0.00 175.76 174.59 1gkb s SER 190 N -1.83 -0.60 0.05 0.00 1.04 -0.76 -0.81 113.70 110.79 1gkb s SER 190 Ca -0.09 0.25 -0.06 0.00 0.48 0.00 0.00 55.95 56.52 1gkb s SER 190 Cb -0.04 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 1gkb s SER 190 CO -0.03 -0.84 0.12 0.72 0.98 0.00 0.00 173.24 174.19 1gkb s PHE 191 N -2.86 0.21 -0.05 5.02 -0.12 -0.56 -1.00 117.98 118.63 1gkb s PHE 191 Ca -0.03 -0.57 -0.10 0.00 -0.05 0.00 0.00 56.93 56.18 1gkb s PHE 191 Cb -0.01 -0.14 0.02 0.00 -0.63 0.00 0.00 43.02 42.26 1gkb s PHE 191 CO -0.05 -0.43 0.24 -1.83 -0.05 0.00 0.00 175.22 173.10 1gkb s GLU 192 N -3.13 0.45 0.00 1.99 -1.05 -0.10 -1.95 118.70 114.91 1gkb s GLU 192 Ca -0.01 0.00 0.02 0.00 -0.15 0.00 0.00 54.97 54.84 1gkb s GLU 192 Cb 0.02 0.20 -0.01 0.00 -0.44 0.00 0.00 34.13 33.90 1gkb s GLU 192 CO -0.07 -0.10 -0.06 0.00 0.95 0.00 0.00 175.26 175.98 1gkb s ALA 193 N -0.67 0.52 0.02 -0.84 0.00 0.61 -0.82 121.76 120.58 1gkb s ALA 193 Ca -0.08 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.57 1gkb s ALA 193 Cb -0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 1gkb s ALA 193 CO 0.02 0.10 -0.08 0.95 0.00 0.00 0.00 175.76 176.75 1gkb s THR 194 N -0.33 0.62 0.06 0.00 -4.23 -0.64 -0.31 115.64 110.81 1gkb s THR 194 Ca 0.01 -0.72 -0.13 0.00 -1.18 0.00 0.00 61.69 59.66 1gkb s THR 194 Cb -0.03 -0.60 0.02 0.00 1.34 0.00 0.00 72.50 73.23 1gkb s THR 194 CO -0.00 -0.09 0.30 0.72 -0.54 0.00 0.00 174.62 175.01 1gkb s PHE 195 N -0.76 -0.08 0.00 3.99 -0.71 -0.55 -0.32 117.98 119.54 1gkb s PHE 195 Ca -0.03 -0.11 0.07 0.00 -1.04 0.00 0.00 56.93 55.82 1gkb s PHE 195 Cb -0.06 0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.82 1gkb s PHE 195 CO 0.00 -0.54 -0.20 0.95 -1.34 0.00 0.00 175.22 174.10 1gkb s THR 196 N -2.89 2.60 0.04 -4.49 -4.23 -0.82 -0.58 115.64 105.27 1gkb s THR 196 Ca -0.03 -1.06 -0.01 0.00 -1.18 0.00 0.00 61.69 59.41 1gkb s THR 196 Cb 0.00 -2.02 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 1gkb s THR 196 CO -0.05 0.47 -0.02 0.72 -0.54 0.00 0.00 174.62 175.20 1gkb s PHE 197 N -0.78 0.40 -0.16 3.99 -0.12 -0.34 -1.00 117.98 119.97 1gkb s PHE 197 Ca 0.12 -0.83 -0.03 0.00 -0.05 0.00 0.00 56.93 56.14 1gkb s PHE 197 Cb -0.10 -0.30 0.05 0.00 -0.63 0.00 0.00 43.02 42.04 1gkb s PHE 197 CO 0.02 -0.32 0.03 -1.17 -0.05 0.00 0.00 175.22 173.74 1gkb s LEU 198 N -2.36 0.95 -0.26 -1.99 0.20 -0.19 -1.02 118.68 114.00 1gkb s LEU 198 Ca -0.02 -0.63 -0.03 0.00 0.69 0.00 0.00 54.13 54.15 1gkb s LEU 198 Cb 0.01 -0.52 0.02 0.00 -0.43 0.00 0.00 46.19 45.28 1gkb s LEU 198 CO -0.07 -0.29 -0.03 -0.63 -0.29 0.00 0.00 176.35 175.05 1gkb s ILE 199 N 1.92 3.14 -0.03 6.68 1.01 -1.26 -2.10 121.20 130.55 1gkb s ILE 199 Ca 0.01 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.75 1gkb s ILE 199 Cb -0.16 -2.61 -0.01 0.00 0.01 0.00 0.00 42.46 39.70 1gkb s ILE 199 CO -0.07 0.16 -0.18 -0.54 0.00 0.00 0.00 174.94 174.30 1gkb s LYS 200 N 1.36 1.65 0.00 2.79 1.02 -1.25 -1.04 119.74 124.27 1gkb s LYS 200 Ca 0.01 -0.66 0.02 0.00 0.02 0.00 0.00 55.97 55.36 1gkb s LYS 200 Cb -0.17 -1.52 -0.01 0.00 -0.52 0.00 0.00 37.83 35.62 1gkb s LYS 200 CO -0.03 0.35 -0.05 0.45 -0.92 0.00 0.00 175.35 175.14 1gkb s SER 201 N -0.26 0.64 0.00 2.83 0.15 -1.26 -0.86 113.70 114.93 1gkb s SER 201 Ca 0.03 -0.14 0.25 0.00 0.70 0.00 0.00 55.95 56.79 1gkb s SER 201 Cb -0.09 -0.06 0.42 0.00 -1.71 0.00 0.00 66.02 64.58 1gkb s SER 201 CO 0.00 0.04 1.35 -0.81 1.20 0.00 0.00 173.24 175.02 1gkb n PRO 202 N 2.80 0.89 -1.77 5.44 -0.04 -1.26 -4.97 135.00 136.09 1gkb n PRO 202 Ca -0.14 -0.63 -0.30 0.00 -0.04 0.00 0.00 63.50 62.39 1gkb n PRO 202 Cb 0.58 -1.49 0.18 0.00 -0.04 0.00 0.00 33.50 32.73 1gkb n PRO 202 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1gkb s ASP 203 N -2.54 2.94 0.52 3.54 1.01 -1.26 -4.96 116.67 115.92 1gkb s ASP 203 Ca 0.21 0.43 0.30 0.00 0.71 0.00 0.00 52.55 54.20 1gkb s ASP 203 Cb 0.19 -0.58 1.16 0.00 1.01 0.00 0.00 42.92 44.69 1gkb s ASP 203 CO 0.57 -2.85 1.91 0.77 0.21 0.00 0.00 175.17 175.77 1gkb h SER 204 N -1.72 0.00 -4.06 0.27 4.64 -1.97 -3.43 113.55 107.28 1gkb h SER 204 Ca -0.45 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.80 1gkb h SER 204 Cb 1.26 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.13 1gkb h SER 204 CO 0.42 0.05 -0.02 -2.28 -0.87 0.00 0.00 176.83 174.13 1gkb s HIS 205 N -3.61 -0.63 0.61 4.77 5.65 -1.26 -5.17 115.29 115.64 1gkb s HIS 205 Ca 0.02 1.51 -0.15 0.00 0.25 0.00 0.00 55.06 56.68 1gkb s HIS 205 Cb 0.09 0.23 -0.03 0.00 -1.18 0.00 0.00 32.58 31.69 1gkb s HIS 205 CO 0.58 -0.34 1.06 -2.14 -0.65 0.00 0.00 174.74 173.25 1gkb s PRO 206 N 0.15 3.25 0.11 2.88 0.02 -1.26 -4.47 135.00 135.68 1gkb s PRO 206 Ca -0.01 1.19 -0.22 0.00 0.02 0.00 0.00 61.00 61.98 1gkb s PRO 206 Cb -0.04 -2.02 0.06 0.00 0.02 0.00 0.00 34.50 32.51 1gkb s PRO 206 CO 0.02 -0.86 0.54 0.00 -0.33 0.00 0.00 177.00 176.36 1gkb s ALA 207 N -2.51 -1.38 -0.01 -1.55 0.00 -1.20 -4.21 121.76 110.89 1gkb s ALA 207 Ca 0.63 0.44 0.06 0.00 0.00 0.00 0.00 51.96 53.10 1gkb s ALA 207 Cb -0.16 0.66 -0.09 0.00 0.00 0.00 0.00 23.12 23.53 1gkb s ALA 207 CO 0.39 -0.65 0.12 -0.25 0.00 0.00 0.00 175.76 175.37 1gkb n ASP 208 N -0.06 3.57 0.00 0.00 8.00 -0.14 -2.84 116.55 125.08 1gkb n ASP 208 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1gkb n ASP 208 Cb 0.63 1.21 0.00 0.00 -0.02 0.00 0.00 41.12 42.94 1gkb n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gkb n GLY 209 N 2.21 1.71 3.25 0.44 0.00 -1.20 -2.10 105.19 109.50 1gkb n GLY 209 Ca -0.02 -1.79 -0.24 0.00 0.00 0.00 0.00 46.02 43.97 1gkb n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gkb s ILE 210 N -1.48 1.60 0.01 -0.61 1.01 -0.75 -2.42 121.20 118.58 1gkb s ILE 210 Ca 0.00 -1.26 0.01 0.00 0.00 0.00 0.00 60.65 59.39 1gkb s ILE 210 Cb 0.00 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 41.04 1gkb s ILE 210 CO 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 174.94 175.01 1gkb s ALA 211 N -0.91 0.23 -0.04 9.38 0.00 0.73 0.15 121.76 131.31 1gkb s ALA 211 Ca 0.06 -0.33 -0.16 0.00 0.00 0.00 0.00 51.96 51.53 1gkb s ALA 211 Cb -0.09 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.00 1gkb s ALA 211 CO 0.02 -0.02 0.44 0.12 0.00 0.00 0.00 175.76 176.33 1gkb s PHE 212 N -0.62 3.66 0.08 0.00 5.36 -0.56 -0.57 117.98 125.32 1gkb s PHE 212 Ca -0.05 0.98 -0.02 0.00 -0.96 0.00 0.00 56.93 56.88 1gkb s PHE 212 Cb -0.05 -2.40 -0.04 0.00 -0.34 0.00 0.00 43.02 40.20 1gkb s PHE 212 CO -0.00 0.47 0.02 -0.59 -1.46 0.00 0.00 175.22 173.65 1gkb s PHE 213 N -0.46 0.60 -0.06 10.12 -0.71 -0.07 -0.74 117.98 126.66 1gkb s PHE 213 Ca 0.25 -1.08 0.02 0.00 -1.04 0.00 0.00 56.93 55.07 1gkb s PHE 213 Cb -0.16 -0.38 0.02 0.00 -1.21 0.00 0.00 43.02 41.28 1gkb s PHE 213 CO 0.13 -0.45 -0.09 0.42 -1.34 0.00 0.00 175.22 173.90 1gkb s ILE 214 N -3.96 0.87 0.29 -4.49 1.01 0.04 -1.01 121.20 113.96 1gkb s ILE 214 Ca 0.12 -0.31 -0.00 0.00 0.00 0.00 0.00 60.65 60.46 1gkb s ILE 214 Cb 0.07 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.69 1gkb s ILE 214 CO -0.06 0.30 0.34 -0.94 0.00 0.00 0.00 174.94 174.58 1gkb s SER 215 N 0.86 0.85 0.72 3.58 1.04 -0.44 -1.66 113.70 118.66 1gkb s SER 215 Ca -0.12 -1.48 -0.16 0.00 0.48 0.00 0.00 55.95 54.67 1gkb s SER 215 Cb -0.15 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.55 1gkb s SER 215 CO 0.01 -1.10 1.12 -0.46 0.98 0.00 0.00 173.24 173.79 1gkb n ASN 216 N -1.07 1.05 -0.18 7.02 6.94 -1.20 -1.34 115.26 126.48 1gkb n ASN 216 Ca 0.03 0.69 0.05 0.00 -0.02 0.00 0.00 54.58 55.33 1gkb n ASN 216 Cb 0.63 -1.47 0.33 0.00 -2.36 0.00 0.00 39.78 36.91 1gkb n ASN 216 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 1gkb h ILE 217 N -0.21 1.06 -0.47 1.53 2.04 -1.85 -1.72 117.51 117.89 1gkb h ILE 217 Ca -0.48 -0.28 -0.13 0.00 1.00 0.00 0.00 64.86 64.97 1gkb h ILE 217 Cb 1.33 0.19 -0.08 0.00 -0.74 0.00 0.00 36.82 37.51 1gkb h ILE 217 CO 0.48 0.15 0.17 -0.90 0.00 0.00 0.00 178.15 178.05 1gkb n ASP 218 N -4.47 3.76 -4.66 1.72 5.75 -1.26 -4.78 116.55 112.61 1gkb n ASP 218 Ca 0.10 -2.75 -0.43 0.00 -0.01 0.00 0.00 54.79 51.69 1gkb n ASP 218 Cb 0.18 -0.66 -0.01 0.00 -1.03 0.00 0.00 41.12 39.60 1gkb n ASP 218 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1gkb n SER 219 N 0.01 2.27 -4.19 -1.12 2.88 -0.65 -5.03 113.62 107.81 1gkb n SER 219 Ca 0.26 1.20 -0.11 0.00 -1.33 0.00 0.00 58.87 58.88 1gkb n SER 219 Cb 1.00 -1.42 -0.10 0.00 -0.75 0.00 0.00 64.21 62.95 1gkb n SER 219 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1gkb s SER 220 N -0.37 0.79 0.01 -3.46 1.04 -1.26 -5.07 113.70 105.38 1gkb s SER 220 Ca 0.57 -1.16 -0.30 0.00 0.48 0.00 0.00 55.95 55.54 1gkb s SER 220 Cb -0.62 0.19 -0.08 0.00 0.10 0.00 0.00 66.02 65.62 1gkb s SER 220 CO 0.61 -0.62 1.82 -0.63 0.98 0.00 0.00 173.24 175.40 1gkb s ILE 221 N -3.83 3.22 0.62 -1.02 1.01 -1.26 -4.95 121.20 114.98 1gkb s ILE 221 Ca 0.21 0.32 -0.18 0.00 0.00 0.00 0.00 60.65 61.01 1gkb s ILE 221 Cb 0.07 -3.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 1gkb s ILE 221 CO 0.01 -0.03 1.16 -2.84 0.00 0.00 0.00 174.94 173.25 1gkb s PRO 222 N 4.10 2.91 0.28 2.79 0.02 -1.26 -4.95 135.00 138.89 1gkb s PRO 222 Ca 0.81 1.66 -0.30 0.00 0.02 0.00 0.00 61.00 63.19 1gkb s PRO 222 Cb -0.39 -1.94 -0.12 0.00 0.02 0.00 0.00 34.50 32.07 1gkb s PRO 222 CO 0.36 -1.22 1.52 0.43 -0.33 0.00 0.00 177.00 177.76 1gkb n SER 223 N -1.87 3.46 -0.88 2.53 7.64 -1.26 -2.82 113.62 120.43 1gkb n SER 223 Ca 0.12 1.15 -0.09 0.00 1.01 0.00 0.00 58.87 61.07 1gkb n SER 223 Cb 0.51 -1.54 -0.02 0.00 -1.01 0.00 0.00 64.21 62.15 1gkb n SER 223 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gkb n GLY 224 N 2.00 0.36 1.43 0.23 0.00 -1.26 -4.66 105.19 103.29 1gkb n GLY 224 Ca 0.09 -0.57 0.11 0.00 0.00 0.00 0.00 46.02 45.65 1gkb n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gkb n SER 225 N 0.44 4.24 -3.91 1.61 3.41 -1.13 -4.89 113.62 113.39 1gkb n SER 225 Ca -0.10 -2.16 -0.30 0.00 -0.26 0.00 0.00 58.87 56.06 1gkb n SER 225 Cb 0.48 -0.52 0.25 0.00 -0.26 0.00 0.00 64.21 64.15 1gkb n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1gkb s THR 226 N -1.29 1.60 0.00 6.66 -4.23 -1.26 -0.86 115.64 116.26 1gkb s THR 226 Ca 0.50 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.01 1gkb s THR 226 Cb 0.28 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.78 1gkb s THR 226 CO 0.30 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 1gkb n GLY 227 N -0.21 3.39 0.14 3.99 0.00 -0.69 -3.15 105.19 108.64 1gkb n GLY 227 Ca 0.11 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1gkb n GLY 227 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1gkb n ARG 228 N 13.81 0.18 0.00 1.61 1.85 -1.26 -1.62 116.66 131.23 1gkb n ARG 228 Ca 0.00 0.47 0.14 0.00 -1.00 0.00 0.00 57.85 57.46 1gkb n ARG 228 Cb 0.00 -1.89 0.55 0.00 -1.05 0.00 0.00 32.46 30.08 1gkb n ARG 228 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1gkb n LEU 229 N -2.24 0.94 -1.29 2.89 4.77 -1.19 -4.95 117.00 115.94 1gkb n LEU 229 Ca 0.01 -0.25 -0.17 0.00 -0.03 0.00 0.00 56.01 55.58 1gkb n LEU 229 Cb 0.19 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 1gkb n LEU 229 CO 0.17 0.16 -0.16 0.18 -1.33 0.00 0.00 177.39 176.42 1gkb n LEU 230 N -0.47 -1.17 -0.76 2.23 4.32 -0.64 -1.16 117.00 119.35 1gkb n LEU 230 Ca 0.16 0.42 -0.10 0.00 -0.02 0.00 0.00 56.01 56.47 1gkb n LEU 230 Cb 0.31 -2.50 -0.04 0.00 -1.62 0.00 0.00 43.42 39.56 1gkb n LEU 230 CO 0.21 -0.93 -0.09 0.61 -1.22 0.00 0.00 177.39 175.97 1gkb n GLY 231 N -0.71 1.08 0.05 -0.72 0.00 -0.03 -3.97 105.19 100.88 1gkb n GLY 231 Ca -0.17 -0.26 -0.07 0.00 0.00 0.00 0.00 46.02 45.53 1gkb n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gkb n LEU 232 N -1.12 1.98 -4.25 0.99 4.32 -0.30 -4.43 117.00 114.19 1gkb n LEU 232 Ca -0.10 -0.04 -0.23 0.00 -0.02 0.00 0.00 56.01 55.62 1gkb n LEU 232 Cb 0.42 -0.20 -0.13 0.00 -1.62 0.00 0.00 43.42 41.90 1gkb n LEU 232 CO 0.15 0.54 -0.50 -0.36 -1.22 0.00 0.00 177.39 176.00 1gkb s PHE 233 N -2.23 1.66 -0.40 -1.77 0.08 -1.19 -4.80 117.98 109.33 1gkb s PHE 233 Ca -0.12 -0.41 0.26 0.00 0.12 0.00 0.00 56.93 56.77 1gkb s PHE 233 Cb 0.04 -0.93 0.66 0.00 -0.57 0.00 0.00 43.02 42.21 1gkb s PHE 233 CO 0.31 0.15 1.72 -1.00 -0.10 0.00 0.00 175.22 176.29 1gkb h PRO 234 N 4.34 0.00 0.00 0.24 0.13 -1.91 -3.40 132.00 131.40 1gkb h PRO 234 Ca -0.44 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.58 1gkb h PRO 234 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1gkb h PRO 234 CO 0.41 0.00 0.08 -0.40 -0.23 0.00 0.00 178.00 177.86 1gkb n ASP 235 N -2.88 -1.57 -1.88 1.44 5.68 -1.26 -4.82 116.55 111.26 1gkb n ASP 235 Ca 0.04 -2.42 0.07 0.00 -0.50 0.00 0.00 54.79 51.97 1gkb n ASP 235 Cb 0.45 2.71 0.40 0.00 -1.14 0.00 0.00 41.12 43.54 1gkb n ASP 235 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1gkb n ALA 236 N -1.04 3.87 0.61 2.12 0.00 -1.26 -4.71 120.51 120.11 1gkb n ALA 236 Ca -0.13 -1.88 0.05 0.00 0.00 0.00 0.00 53.44 51.48 1gkb n ALA 236 Cb 0.49 -1.13 0.29 0.00 0.00 0.00 0.00 19.45 19.10 1gkb n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59