#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gt3 n LEU 2 N 0.00 2.93 -4.64 -3.43 -0.00 -1.26 -4.97 117.00 105.64 2gt3 n LEU 2 Ca 0.00 -1.76 -0.43 0.00 -0.00 0.00 0.00 56.01 53.83 2gt3 n LEU 2 Cb 0.00 -0.22 -0.03 0.00 -0.00 0.00 0.00 43.42 43.17 2gt3 n LEU 2 CO 0.00 0.70 1.45 -0.36 -0.00 0.00 0.00 177.39 179.18 2gt3 s PHE 3 N -1.04 1.87 0.02 1.47 0.08 -1.26 -4.97 117.98 114.15 2gt3 s PHE 3 Ca 0.26 0.35 -0.00 0.00 0.12 0.00 0.00 56.93 57.66 2gt3 s PHE 3 Cb 0.14 -3.99 -0.02 0.00 -0.57 0.00 0.00 43.02 38.58 2gt3 s PHE 3 CO 0.19 -3.57 -0.03 -0.51 -0.10 0.00 0.00 175.22 171.20 2gt3 s ASP 4 N 4.53 0.25 -0.17 1.36 -0.00 -1.26 -5.02 116.67 116.36 2gt3 s ASP 4 Ca 0.77 -0.51 0.01 0.00 -0.00 0.00 0.00 52.55 52.82 2gt3 s ASP 4 Cb -0.30 0.10 0.24 0.00 -0.00 0.00 0.00 42.92 42.96 2gt3 s ASP 4 CO 0.31 -0.31 1.38 2.29 -0.00 0.00 0.00 175.17 178.85 2gt3 n LYS 5 N 1.57 1.46 0.00 8.23 2.85 -1.26 -4.10 118.16 126.91 2gt3 n LYS 5 Ca -0.24 -1.09 0.11 0.00 -1.05 0.00 0.00 58.31 56.05 2gt3 n LYS 5 Cb 0.55 -1.43 0.62 0.00 -0.65 0.00 0.00 35.03 34.13 2gt3 n LYS 5 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2gt3 n LYS 6 N -0.04 0.49 -1.77 -1.58 2.85 -1.26 -4.61 118.16 112.23 2gt3 n LYS 6 Ca 0.22 0.04 -0.42 0.00 -1.05 0.00 0.00 58.31 57.10 2gt3 n LYS 6 Cb 0.90 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.76 2gt3 n LYS 6 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2gt3 s HIS 7 N -2.35 2.81 0.89 5.58 2.46 -1.26 -4.11 115.29 119.31 2gt3 s HIS 7 Ca 0.27 0.65 -0.12 0.00 0.47 0.00 0.00 55.06 56.32 2gt3 s HIS 7 Cb 0.16 -4.08 0.12 0.00 -0.13 0.00 0.00 32.58 28.65 2gt3 s HIS 7 CO 0.32 -3.80 1.14 -0.48 -2.47 0.00 0.00 174.74 169.45 2gt3 s LEU 8 N 0.05 2.12 0.28 8.88 2.34 -1.26 -4.77 118.68 126.32 2gt3 s LEU 8 Ca 0.67 0.96 0.09 0.00 0.06 0.00 0.00 54.13 55.91 2gt3 s LEU 8 Cb -0.48 -3.33 -0.04 0.00 -0.56 0.00 0.00 46.19 41.78 2gt3 s LEU 8 CO 0.43 -2.42 0.01 0.54 -1.06 0.00 0.00 176.35 173.85 2gt3 s VAL 9 N -3.31 3.35 0.41 1.48 0.11 -1.26 -5.13 120.40 116.04 2gt3 s VAL 9 Ca 0.63 -1.90 0.00 0.00 -2.93 0.00 0.00 61.98 57.78 2gt3 s VAL 9 Cb -0.14 -2.85 -0.02 0.00 -1.53 0.00 0.00 36.38 31.84 2gt3 s VAL 9 CO 0.53 -0.35 0.62 -0.44 -3.33 0.00 0.00 175.10 172.13 2gt3 s SER 10 N -3.69 6.06 0.15 3.54 0.01 -1.26 -4.85 113.70 113.66 2gt3 s SER 10 Ca 0.32 0.38 -0.02 0.00 1.31 0.00 0.00 55.95 57.95 2gt3 s SER 10 Cb -0.06 -1.78 -0.02 0.00 0.21 0.00 0.00 66.02 64.37 2gt3 s SER 10 CO 0.20 -0.52 1.37 1.55 0.41 0.00 0.00 173.24 176.25 2gt3 h PRO 11 N 0.55 0.36 0.00 12.44 0.13 -1.95 0.64 132.00 144.16 2gt3 h PRO 11 Ca -0.48 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.30 2gt3 h PRO 11 Cb 1.24 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2gt3 h PRO 11 CO 0.59 1.02 0.00 0.00 -0.23 0.00 0.00 178.00 179.38 2gt3 h ALA 12 N 0.86 1.00 0.01 -0.56 0.00 -2.01 -3.11 119.26 115.45 2gt3 h ALA 12 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.48 2gt3 h ALA 12 Cb 1.47 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.19 2gt3 h ALA 12 CO 0.14 0.00 -2.39 -3.47 0.00 0.00 0.00 179.25 173.54 2gt3 n ASP 13 N -2.49 1.15 -4.54 0.00 -0.08 -1.11 -4.97 116.55 104.51 2gt3 n ASP 13 Ca 0.04 -0.04 -0.42 0.00 -1.51 0.00 0.00 54.79 52.85 2gt3 n ASP 13 Cb 0.36 0.15 0.01 0.00 2.34 0.00 0.00 41.12 43.98 2gt3 n ASP 13 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2gt3 n ALA 14 N -3.01 -0.61 -1.77 -1.67 0.00 0.22 -4.90 120.51 108.77 2gt3 n ALA 14 Ca -0.39 0.22 -0.37 0.00 0.00 0.00 0.00 53.44 52.90 2gt3 n ALA 14 Cb 1.06 -1.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 2gt3 n ALA 14 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2gt3 s LEU 15 N 0.50 3.97 -0.55 0.00 2.34 0.54 -4.87 118.68 120.62 2gt3 s LEU 15 Ca 0.63 2.31 -0.06 0.00 0.06 0.00 0.00 54.13 57.07 2gt3 s LEU 15 Cb -0.60 -4.29 -0.14 0.00 -0.56 0.00 0.00 46.19 40.60 2gt3 s LEU 15 CO 0.57 -0.99 2.69 -0.81 -1.06 0.00 0.00 176.35 176.75 2gt3 n PRO 16 N -0.62 2.08 0.00 1.48 -0.04 -1.26 -4.37 135.00 132.27 2gt3 n PRO 16 Ca 0.08 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 2gt3 n PRO 16 Cb 0.48 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 2gt3 n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gt3 n GLY 17 N 3.10 0.66 3.59 0.55 0.00 -1.26 -4.78 105.19 107.05 2gt3 n GLY 17 Ca 0.44 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2gt3 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gt3 s ARG 18 N 0.00 1.19 -1.15 1.61 0.52 -1.15 -4.95 118.95 115.02 2gt3 s ARG 18 Ca 0.00 -0.53 -0.13 0.00 -0.52 0.00 0.00 55.73 54.55 2gt3 s ARG 18 Cb 0.00 0.48 0.20 0.00 0.52 0.00 0.00 34.95 36.15 2gt3 s ARG 18 CO 0.00 -0.53 1.31 0.54 0.02 0.00 0.00 175.30 176.64 2gt3 s ASN 19 N -2.73 7.09 -0.30 0.23 2.20 -1.26 -4.71 114.94 115.47 2gt3 s ASN 19 Ca 0.06 -3.06 0.01 0.00 -0.94 0.00 0.00 52.86 48.93 2gt3 s ASN 19 Cb -0.02 -2.35 0.15 0.00 -2.00 0.00 0.00 41.25 37.04 2gt3 s ASN 19 CO -0.05 -0.65 0.37 0.28 -2.94 0.00 0.00 177.10 174.11 2gt3 s THR 20 N 0.89 -0.53 0.46 0.54 -1.32 -1.26 -5.15 115.64 109.27 2gt3 s THR 20 Ca 0.38 -0.41 -0.21 0.00 -1.21 0.00 0.00 61.69 60.24 2gt3 s THR 20 Cb -0.05 -0.96 -0.09 0.00 -1.51 0.00 0.00 72.50 69.89 2gt3 s THR 20 CO -0.03 -0.37 1.04 -2.16 -2.21 0.00 0.00 174.62 170.89 2gt3 s PRO 21 N 2.40 3.92 -0.09 7.08 0.04 -1.26 -4.99 135.00 142.10 2gt3 s PRO 21 Ca 0.10 1.41 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 2gt3 s PRO 21 Cb -0.13 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 2gt3 s PRO 21 CO -0.30 -0.34 0.01 -1.64 0.04 0.00 0.00 177.00 174.78 2gt3 s MET 22 N -2.99 3.06 0.46 4.56 -1.94 -1.26 -5.10 119.30 116.09 2gt3 s MET 22 Ca 0.64 -0.39 -0.21 0.00 -1.71 0.00 0.00 55.69 54.02 2gt3 s MET 22 Cb -0.18 -2.84 -0.09 0.00 2.01 0.00 0.00 34.83 33.73 2gt3 s MET 22 CO 0.22 0.69 1.04 -1.25 -0.01 0.00 0.00 175.02 175.71 2gt3 s PRO 23 N -0.83 3.91 0.05 2.03 0.04 -1.26 -5.01 135.00 133.93 2gt3 s PRO 23 Ca 0.13 1.41 0.07 0.00 0.04 0.00 0.00 61.00 62.64 2gt3 s PRO 23 Cb -0.11 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.17 2gt3 s PRO 23 CO 0.02 -0.34 -0.19 0.08 0.04 0.00 0.00 177.00 176.61 2gt3 s VAL 24 N -1.88 1.49 0.55 -0.36 1.01 -1.26 -4.75 120.40 115.20 2gt3 s VAL 24 Ca 0.64 -1.15 -0.17 0.00 0.00 0.00 0.00 61.98 61.30 2gt3 s VAL 24 Cb -0.18 -1.31 -0.06 0.00 0.00 0.00 0.00 36.38 34.83 2gt3 s VAL 24 CO 0.22 0.12 1.05 0.00 0.00 0.00 0.00 175.10 176.49 2gt3 s ALA 25 N -0.84 2.81 0.02 5.51 0.00 -1.26 -4.98 121.76 123.03 2gt3 s ALA 25 Ca 0.05 0.46 -0.20 0.00 0.00 0.00 0.00 51.96 52.27 2gt3 s ALA 25 Cb -0.09 -3.23 -0.19 0.00 0.00 0.00 0.00 23.12 19.62 2gt3 s ALA 25 CO 0.02 -0.59 1.20 1.15 0.00 0.00 0.00 175.76 177.54 2gt3 h THR 26 N 0.88 1.40 -2.57 0.00 2.02 -2.00 -3.44 112.91 109.21 2gt3 h THR 26 Ca -0.48 -1.75 -0.61 0.00 0.77 0.00 0.00 66.41 64.34 2gt3 h THR 26 Cb 1.22 2.28 -0.14 0.00 -1.74 0.00 0.00 68.15 69.76 2gt3 h THR 26 CO 0.58 0.51 -0.75 -0.76 0.37 0.00 0.00 175.52 175.48 2gt3 s LEU 27 N -8.67 2.72 1.22 2.58 1.43 -1.26 -2.17 118.68 114.54 2gt3 s LEU 27 Ca -0.14 -0.85 -0.14 0.00 -1.03 0.00 0.00 54.13 51.98 2gt3 s LEU 27 Cb 0.04 -1.32 0.31 0.00 0.03 0.00 0.00 46.19 45.26 2gt3 s LEU 27 CO 0.79 0.06 1.00 -2.28 0.23 0.00 0.00 176.35 176.16 2gt3 s HIS 28 N -2.15 1.09 -0.02 0.29 5.65 0.38 -4.80 115.29 115.74 2gt3 s HIS 28 Ca 0.27 1.11 -0.07 0.00 0.25 0.00 0.00 55.06 56.62 2gt3 s HIS 28 Cb -0.07 -3.05 -0.04 0.00 -1.18 0.00 0.00 32.58 28.25 2gt3 s HIS 28 CO 0.15 -4.15 0.49 0.00 -0.65 0.00 0.00 174.74 170.57 2gt3 h ALA 29 N -2.83 -0.45 0.00 1.58 0.00 -1.91 -2.96 119.26 112.68 2gt3 h ALA 29 Ca -0.62 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.03 2gt3 h ALA 29 Cb 1.34 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 2gt3 h ALA 29 CO 0.49 -0.43 -1.25 0.28 0.00 0.00 0.00 179.25 178.33 2gt3 n VAL 30 N -3.52 1.51 0.20 0.00 0.31 -1.26 -4.09 118.33 111.48 2gt3 n VAL 30 Ca -0.03 -0.01 0.17 0.00 -0.01 0.00 0.00 64.34 64.46 2gt3 n VAL 30 Cb 0.10 -2.11 0.82 0.00 -0.91 0.00 0.00 33.84 31.74 2gt3 n VAL 30 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2gt3 h ASN 31 N -1.00 0.00 -3.23 4.52 2.35 -1.85 -3.44 115.58 112.94 2gt3 h ASN 31 Ca -0.30 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.38 2gt3 h ASN 31 Cb 1.16 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.51 2gt3 h ASN 31 CO -0.18 0.00 -0.07 0.61 -1.65 0.00 0.00 177.43 176.13 2gt3 n GLY 32 N -1.41 -0.08 4.00 2.83 0.00 -1.12 -4.78 105.19 104.63 2gt3 n GLY 32 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 2gt3 n GLY 32 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2gt3 s HIS 33 N -1.71 2.72 -0.41 1.61 4.02 -1.26 -4.27 115.29 115.99 2gt3 s HIS 33 Ca 0.00 -0.43 -0.45 0.00 1.02 0.00 0.00 55.06 55.21 2gt3 s HIS 33 Cb 0.00 -2.35 -0.20 0.00 -1.02 0.00 0.00 32.58 29.01 2gt3 s HIS 33 CO 0.00 -0.44 1.49 0.43 1.02 0.00 0.00 174.74 177.24 2gt3 n SER 34 N -1.85 1.00 -0.06 1.40 7.64 -1.26 -0.47 113.62 120.02 2gt3 n SER 34 Ca 0.08 1.16 -0.13 0.00 1.01 0.00 0.00 58.87 60.99 2gt3 n SER 34 Cb 0.59 -0.87 -0.12 0.00 -1.01 0.00 0.00 64.21 62.81 2gt3 n SER 34 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2gt3 h MET 35 N 4.59 -0.01 0.00 1.43 4.05 -1.71 -3.42 114.93 119.86 2gt3 h MET 35 Ca -0.44 0.00 -0.25 0.00 -0.28 0.00 0.00 59.70 58.72 2gt3 h MET 35 Cb 1.35 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.12 2gt3 h MET 35 CO 0.91 0.85 -1.59 0.25 0.23 0.00 0.00 176.91 177.56 2gt3 n THR 36 N -4.66 1.51 -1.69 -0.77 -2.24 -1.26 -4.90 114.28 100.27 2gt3 n THR 36 Ca -0.09 -0.10 -0.51 0.00 -2.27 0.00 0.00 64.05 61.08 2gt3 n THR 36 Cb 0.41 -2.07 -0.05 0.00 -2.10 0.00 0.00 70.33 66.52 2gt3 n THR 36 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2gt3 n ASN 37 N -4.40 3.08 -4.79 3.42 3.02 -1.26 -4.94 115.26 109.39 2gt3 n ASN 37 Ca -0.34 1.01 -0.36 0.00 -0.03 0.00 0.00 54.58 54.86 2gt3 n ASN 37 Cb 0.68 -1.31 -0.07 0.00 -0.61 0.00 0.00 39.78 38.46 2gt3 n ASN 37 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2gt3 s VAL 38 N 3.55 5.25 0.35 2.41 1.01 -1.26 -4.64 120.40 127.07 2gt3 s VAL 38 Ca 0.93 0.12 -0.26 0.00 0.00 0.00 0.00 61.98 62.77 2gt3 s VAL 38 Cb -0.80 -3.32 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 2gt3 s VAL 38 CO 0.54 0.55 1.06 -2.16 0.00 0.00 0.00 175.10 175.10 2gt3 s PRO 39 N -0.50 4.37 0.05 2.72 0.04 -1.26 -4.98 135.00 135.44 2gt3 s PRO 39 Ca 0.12 1.63 -0.31 0.00 0.04 0.00 0.00 61.00 62.48 2gt3 s PRO 39 Cb -0.12 -2.82 -0.07 0.00 0.04 0.00 0.00 34.50 31.53 2gt3 s PRO 39 CO 0.02 0.02 1.50 -0.51 0.04 0.00 0.00 177.00 178.06 2gt3 s ASP 40 N -1.28 6.75 0.00 6.66 1.01 -1.26 -2.19 116.67 126.35 2gt3 s ASP 40 Ca 0.52 2.30 0.00 0.00 0.71 0.00 0.00 52.55 56.08 2gt3 s ASP 40 Cb -0.26 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.10 2gt3 s ASP 40 CO 0.33 -0.78 0.00 0.61 0.21 0.00 0.00 175.17 175.54 2gt3 n GLY 41 N 3.76 0.91 3.51 0.21 0.00 -1.26 -5.09 105.19 107.22 2gt3 n GLY 41 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 2gt3 n GLY 41 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2gt3 s MET 42 N -0.85 1.73 0.17 1.61 -1.94 -0.93 -4.16 119.30 114.93 2gt3 s MET 42 Ca 0.00 -1.90 -0.04 0.00 -1.71 0.00 0.00 55.69 52.04 2gt3 s MET 42 Cb 0.00 -1.49 -0.03 0.00 2.01 0.00 0.00 34.83 35.32 2gt3 s MET 42 CO 0.00 0.09 0.18 -1.21 -0.01 0.00 0.00 175.02 174.07 2gt3 s GLU 43 N -3.66 1.13 0.03 2.03 0.41 -0.74 -4.90 118.70 112.99 2gt3 s GLU 43 Ca 0.32 -1.41 0.02 0.00 -0.41 0.00 0.00 54.97 53.49 2gt3 s GLU 43 Cb 0.03 0.31 -0.04 0.00 -1.78 0.00 0.00 34.13 32.66 2gt3 s GLU 43 CO 0.15 -0.38 0.01 0.42 -0.49 0.00 0.00 175.26 174.97 2gt3 s ILE 44 N -4.06 4.16 -0.09 -1.63 1.01 -1.26 -1.73 121.20 117.60 2gt3 s ILE 44 Ca 0.26 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 60.22 2gt3 s ILE 44 Cb 0.05 -2.90 0.02 0.00 0.01 0.00 0.00 42.46 39.64 2gt3 s ILE 44 CO 0.05 0.29 -0.10 0.00 0.00 0.00 0.00 174.94 175.19 2gt3 s ALA 45 N -1.17 1.31 -0.18 9.38 0.00 0.51 -4.65 121.76 126.97 2gt3 s ALA 45 Ca 0.22 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 51.63 2gt3 s ALA 45 Cb -0.12 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 2gt3 s ALA 45 CO 0.13 -0.19 -0.02 0.42 0.00 0.00 0.00 175.76 176.10 2gt3 s ILE 46 N 1.26 3.94 0.03 0.00 1.01 -1.08 0.20 121.20 126.56 2gt3 s ILE 46 Ca -0.03 -0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.20 2gt3 s ILE 46 Cb -0.14 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.58 2gt3 s ILE 46 CO -0.03 0.46 0.18 -0.36 0.00 0.00 0.00 174.94 175.19 2gt3 s PHE 47 N 0.69 0.05 -0.23 3.97 0.40 -1.00 -0.44 117.98 121.41 2gt3 s PHE 47 Ca -0.01 -0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.09 2gt3 s PHE 47 Cb -0.14 -0.04 0.06 0.00 0.51 0.00 0.00 43.02 43.41 2gt3 s PHE 47 CO 0.02 -0.40 -0.05 0.00 0.70 0.00 0.00 175.22 175.50 2gt3 s ALA 48 N -2.29 1.93 -0.41 5.36 0.00 -0.83 -1.45 121.76 124.08 2gt3 s ALA 48 Ca -0.07 -1.35 0.10 0.00 0.00 0.00 0.00 51.96 50.64 2gt3 s ALA 48 Cb -0.02 -1.43 0.43 0.00 0.00 0.00 0.00 23.12 22.09 2gt3 s ALA 48 CO -0.02 -1.20 1.04 -1.33 0.00 0.00 0.00 175.76 174.24 2gt3 n MET 49 N 4.68 2.58 0.00 0.00 2.81 -1.26 -2.53 117.12 123.40 2gt3 n MET 49 Ca -0.12 -4.07 0.00 0.00 -1.81 0.00 0.00 57.70 51.70 2gt3 n MET 49 Cb 0.44 -1.90 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 2gt3 n MET 49 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2gt3 n GLY 50 N -0.30 2.17 3.28 3.03 0.00 -1.19 -4.71 105.19 107.48 2gt3 n GLY 50 Ca 0.28 -0.48 -0.58 0.00 0.00 0.00 0.00 46.02 45.24 2gt3 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gt3 h PHE 52 N 9.44 0.00 0.02 0.00 -0.00 -1.93 -2.20 116.94 122.27 2gt3 h PHE 52 Ca -0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.86 2gt3 h PHE 52 Cb 1.41 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.36 2gt3 h PHE 52 CO 0.98 0.04 -0.01 -1.49 -0.00 0.00 0.00 178.31 177.84 2gt3 h TRP 53 N 0.00 -0.03 0.01 6.09 6.55 -1.92 0.49 115.95 127.15 2gt3 h TRP 53 Ca -0.00 -0.00 -0.04 0.00 0.95 0.00 0.00 58.89 59.79 2gt3 h TRP 53 Cb 1.04 0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.35 2gt3 h TRP 53 CO 0.00 -0.00 -0.17 0.78 -1.05 0.00 0.00 178.44 177.99 2gt3 h GLY 54 N -0.05 0.11 0.20 1.49 0.00 -1.76 -2.62 103.07 100.44 2gt3 h GLY 54 Ca -0.00 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.13 2gt3 h GLY 54 CO 0.01 0.19 -0.44 -2.08 0.00 0.00 0.00 176.54 174.21 2gt3 h VAL 55 N -0.68 0.12 -0.90 4.60 2.07 -1.38 0.32 116.25 120.40 2gt3 h VAL 55 Ca -0.02 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.63 2gt3 h VAL 55 Cb 1.00 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 2gt3 h VAL 55 CO 0.03 0.00 0.58 1.05 0.02 0.00 0.00 177.57 179.25 2gt3 h GLU 56 N -0.65 0.73 0.69 1.57 4.11 -0.13 1.48 114.58 122.39 2gt3 h GLU 56 Ca 0.03 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 59.38 2gt3 h GLU 56 Cb 0.69 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.78 2gt3 h GLU 56 CO -0.28 0.49 -0.33 -0.09 0.07 0.00 0.00 179.01 178.86 2gt3 h ARG 57 N 0.76 -0.90 -0.30 1.06 2.43 -0.63 1.08 114.38 117.88 2gt3 h ARG 57 Ca 0.45 0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.61 2gt3 h ARG 57 Cb 0.64 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 2gt3 h ARG 57 CO -0.21 -0.58 -0.13 1.25 -1.51 0.00 0.00 179.97 178.79 2gt3 h LEU 58 N -1.01 0.49 -0.24 3.80 5.85 0.22 1.06 115.31 125.49 2gt3 h LEU 58 Ca -0.10 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 2gt3 h LEU 58 Cb 0.73 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2gt3 h LEU 58 CO 0.16 0.66 -0.01 -0.26 -0.34 0.00 0.00 178.44 178.64 2gt3 h PHE 59 N 0.47 0.48 0.00 1.25 -1.00 0.23 -1.16 116.94 117.20 2gt3 h PHE 59 Ca 0.09 -0.09 -0.16 0.00 2.81 0.00 0.00 57.97 60.62 2gt3 h PHE 59 Cb 0.51 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 39.92 2gt3 h PHE 59 CO 0.02 0.62 -0.76 0.11 -1.61 0.00 0.00 178.31 176.68 2gt3 h TRP 60 N 0.20 0.00 0.00 -0.55 0.09 0.15 -2.67 115.95 113.17 2gt3 h TRP 60 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.05 2gt3 h TRP 60 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.68 2gt3 h TRP 60 CO 0.04 0.76 0.00 1.04 0.09 0.00 0.00 178.44 180.37 2gt3 n GLN 61 N -3.54 0.85 -2.83 0.12 6.02 0.36 -4.78 117.38 113.59 2gt3 n GLN 61 Ca -0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 2gt3 n GLN 61 Cb 0.76 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.47 2gt3 n GLN 61 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2gt3 s LEU 62 N -1.99 4.62 -0.47 1.08 1.43 -0.46 -4.98 118.68 117.90 2gt3 s LEU 62 Ca 0.41 1.83 -0.28 0.00 -1.03 0.00 0.00 54.13 55.05 2gt3 s LEU 62 Cb 0.19 -3.50 0.01 0.00 0.03 0.00 0.00 46.19 42.92 2gt3 s LEU 62 CO 0.31 0.16 1.45 -2.16 0.23 0.00 0.00 176.35 176.34 2gt3 s PRO 63 N -1.07 3.42 0.00 1.29 0.04 -1.26 -2.77 135.00 134.64 2gt3 s PRO 63 Ca 0.40 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2gt3 s PRO 63 Cb -0.25 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.21 2gt3 s PRO 63 CO 0.30 -1.77 0.00 0.41 0.04 0.00 0.00 177.00 175.98 2gt3 n GLY 64 N 5.19 0.87 3.63 0.56 0.00 -1.26 -4.68 105.19 109.51 2gt3 n GLY 64 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2gt3 n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gt3 s VAL 65 N -0.33 5.01 -0.07 1.61 1.01 -1.12 -2.62 120.40 123.90 2gt3 s VAL 65 Ca 0.00 1.09 -0.23 0.00 0.00 0.00 0.00 61.98 62.84 2gt3 s VAL 65 Cb 0.00 -3.91 -0.30 0.00 0.00 0.00 0.00 36.38 32.16 2gt3 s VAL 65 CO 0.00 0.06 0.86 0.22 0.00 0.00 0.00 175.10 176.24 2gt3 h TYR 66 N 7.82 0.43 -3.87 5.22 3.20 0.24 -3.48 116.97 126.53 2gt3 h TYR 66 Ca -0.28 -0.32 -0.10 0.00 3.14 0.00 0.00 58.73 61.18 2gt3 h TYR 66 Cb 1.13 -0.02 -0.15 0.00 1.54 0.00 0.00 36.73 39.24 2gt3 h TYR 66 CO 0.75 1.26 -0.44 -1.12 -1.64 0.00 0.00 178.16 176.96 2gt3 s SER 67 N -6.83 0.19 -0.05 -2.11 0.01 -0.79 -4.73 113.70 99.39 2gt3 s SER 67 Ca -0.15 -0.69 -0.11 0.00 1.31 0.00 0.00 55.95 56.31 2gt3 s SER 67 Cb 0.00 0.30 0.02 0.00 0.21 0.00 0.00 66.02 66.56 2gt3 s SER 67 CO 0.80 -0.68 0.25 -0.89 0.41 0.00 0.00 173.24 173.13 2gt3 s THR 68 N -3.73 0.04 0.06 1.44 2.01 -1.26 0.69 115.64 114.89 2gt3 s THR 68 Ca 0.04 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 61.69 2gt3 s THR 68 Cb 0.05 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 72.06 2gt3 s THR 68 CO -0.10 -0.18 0.04 0.00 -0.69 0.00 0.00 174.62 173.69 2gt3 s ALA 69 N -0.70 0.29 0.11 7.40 0.00 -0.53 -4.86 121.76 123.47 2gt3 s ALA 69 Ca -0.08 -1.03 0.09 0.00 0.00 0.00 0.00 51.96 50.94 2gt3 s ALA 69 Cb -0.04 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 2gt3 s ALA 69 CO 0.02 -0.42 -0.21 0.00 0.00 0.00 0.00 175.76 175.15 2gt3 s ALA 70 N -3.90 2.59 0.00 0.00 0.00 -1.26 -1.67 121.76 117.52 2gt3 s ALA 70 Ca 0.07 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.66 2gt3 s ALA 70 Cb 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.61 2gt3 s ALA 70 CO -0.10 0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.65 2gt3 n GLY 71 N 0.89 1.39 3.11 0.00 0.00 -0.88 0.04 105.19 109.74 2gt3 n GLY 71 Ca -0.16 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 2gt3 n GLY 71 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gt3 s TYR 72 N -3.24 0.84 0.09 1.61 2.02 -0.99 -2.61 117.35 115.08 2gt3 s TYR 72 Ca 0.00 -0.60 -0.27 0.00 -0.37 0.00 0.00 57.07 55.83 2gt3 s TYR 72 Cb 0.00 -0.49 0.08 0.00 -0.40 0.00 0.00 41.96 41.16 2gt3 s TYR 72 CO 0.00 -0.07 1.08 -0.08 -1.57 0.00 0.00 175.55 174.92 2gt3 s THR 73 N -1.98 0.00 0.00 -0.71 -1.32 -0.81 -1.92 115.64 108.89 2gt3 s THR 73 Ca -0.02 -0.50 0.00 0.00 -1.21 0.00 0.00 61.69 59.96 2gt3 s THR 73 Cb -0.06 -2.02 0.00 0.00 -1.51 0.00 0.00 72.50 68.92 2gt3 s THR 73 CO -0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2gt3 n GLY 74 N -0.48 3.39 2.64 6.08 0.00 -1.26 0.16 105.19 115.72 2gt3 n GLY 74 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 2gt3 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gt3 n GLY 75 N -1.71 -0.07 0.07 -0.02 0.00 -0.74 -4.69 105.19 98.03 2gt3 n GLY 75 Ca 0.00 -1.89 -0.07 0.00 0.00 0.00 0.00 46.02 44.05 2gt3 n GLY 75 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2gt3 n TYR 76 N -2.70 0.00 -1.62 1.61 4.01 -0.82 -4.81 117.16 112.82 2gt3 n TYR 76 Ca 0.11 0.00 -0.47 0.00 -0.16 0.00 0.00 57.90 57.38 2gt3 n TYR 76 Cb 0.40 -0.66 -0.05 0.00 -0.31 0.00 0.00 39.34 38.73 2gt3 n TYR 76 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 2gt3 n THR 77 N -2.55 0.49 -2.47 -0.72 -1.04 -1.07 -4.90 114.28 102.02 2gt3 n THR 77 Ca -0.23 -0.21 -0.42 0.00 -2.04 0.00 0.00 64.05 61.15 2gt3 n THR 77 Cb 0.92 -2.04 -0.03 0.00 -1.82 0.00 0.00 70.33 67.35 2gt3 n THR 77 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2gt3 s PRO 78 N 5.00 4.50 -1.01 -2.82 0.04 -1.26 -3.72 135.00 135.73 2gt3 s PRO 78 Ca 0.97 1.73 -0.12 0.00 0.04 0.00 0.00 61.00 63.62 2gt3 s PRO 78 Cb -0.61 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 30.59 2gt3 s PRO 78 CO 0.47 -0.12 0.78 0.09 0.04 0.00 0.00 177.00 178.25 2gt3 n ASN 79 N 3.30 -5.96 -4.79 6.66 4.13 -1.26 -2.93 115.26 114.42 2gt3 n ASN 79 Ca 0.06 -0.79 -0.29 0.00 1.68 0.00 0.00 54.58 55.24 2gt3 n ASN 79 Cb 0.47 -3.83 0.13 0.00 -1.54 0.00 0.00 39.78 35.01 2gt3 n ASN 79 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2gt3 s PRO 80 N -5.06 1.17 0.21 3.52 0.04 -1.24 -4.09 135.00 129.55 2gt3 s PRO 80 Ca 0.33 0.30 0.09 0.00 0.04 0.00 0.00 61.00 61.76 2gt3 s PRO 80 Cb -0.10 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 2gt3 s PRO 80 CO 0.83 -2.18 -0.16 0.95 0.04 0.00 0.00 177.00 176.47 2gt3 s THR 81 N -3.28 1.89 0.22 1.26 -4.23 -1.26 -5.01 115.64 105.24 2gt3 s THR 81 Ca 0.64 -2.17 -0.08 0.00 -1.18 0.00 0.00 61.69 58.90 2gt3 s THR 81 Cb -0.15 -2.03 0.16 0.00 1.34 0.00 0.00 72.50 71.82 2gt3 s THR 81 CO 0.53 -0.48 1.78 0.22 -0.54 0.00 0.00 174.62 176.13 2gt3 h TYR 82 N 2.70 0.63 0.00 3.99 3.20 -1.98 0.51 116.97 126.02 2gt3 h TYR 82 Ca -0.40 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.50 2gt3 h TYR 82 Cb 1.22 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.31 2gt3 h TYR 82 CO 0.72 0.25 -0.00 0.00 -1.64 0.00 0.00 178.16 177.49 2gt3 h ARG 83 N 0.61 -0.00 -0.13 1.82 3.08 -1.98 0.36 114.38 118.14 2gt3 h ARG 83 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 2gt3 h ARG 83 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2gt3 h ARG 83 CO -0.25 0.11 0.08 0.93 -1.07 0.00 0.00 179.97 179.77 2gt3 h GLU 84 N -0.11 0.16 -0.76 0.04 5.08 -1.80 -1.66 114.58 115.52 2gt3 h GLU 84 Ca -0.00 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2gt3 h GLU 84 Cb 0.11 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 2gt3 h GLU 84 CO 0.00 0.10 0.50 0.28 -1.00 0.00 0.00 179.01 178.89 2gt3 h VAL 85 N 0.16 1.16 -0.76 3.13 2.07 0.13 -0.48 116.25 121.67 2gt3 h VAL 85 Ca 0.05 -0.34 0.13 0.00 0.82 0.00 0.00 66.70 67.35 2gt3 h VAL 85 Cb -0.01 0.08 -0.09 0.00 -1.52 0.00 0.00 31.29 29.75 2gt3 h VAL 85 CO -0.02 0.18 0.34 0.00 0.02 0.00 0.00 177.57 178.10 2gt3 h SER 87 N 0.53 0.03 0.00 0.00 0.87 -0.30 -3.48 113.55 111.20 2gt3 h SER 87 Ca 0.40 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2gt3 h SER 87 Cb 0.55 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2gt3 h SER 87 CO -0.35 0.21 0.00 0.61 -0.53 0.00 0.00 176.83 176.77 2gt3 n GLY 88 N -0.58 1.45 1.90 5.77 0.00 -0.31 -4.99 105.19 108.42 2gt3 n GLY 88 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.99 2gt3 n GLY 88 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2gt3 n ASP 89 N 0.00 5.50 -0.02 1.61 5.68 -1.20 -4.10 116.55 124.03 2gt3 n ASP 89 Ca 0.00 -2.97 -0.02 0.00 -0.50 0.00 0.00 54.79 51.30 2gt3 n ASP 89 Cb 0.00 -0.70 -0.02 0.00 -1.14 0.00 0.00 41.12 39.26 2gt3 n ASP 89 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2gt3 n THR 90 N 0.47 0.20 -0.95 2.12 -2.24 -1.26 -0.34 114.28 112.28 2gt3 n THR 90 Ca 0.30 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 2gt3 n THR 90 Cb 1.22 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 2gt3 n THR 90 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gt3 n GLY 91 N 3.08 0.58 3.84 3.38 0.00 -1.26 -1.95 105.19 112.87 2gt3 n GLY 91 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 2gt3 n GLY 91 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2gt3 s HIS 92 N -2.24 3.45 0.16 1.61 3.76 -1.26 -1.79 115.29 118.98 2gt3 s HIS 92 Ca 0.00 1.24 0.08 0.00 -0.15 0.00 0.00 55.06 56.23 2gt3 s HIS 92 Cb 0.00 -2.54 -0.04 0.00 1.11 0.00 0.00 32.58 31.11 2gt3 s HIS 92 CO 0.00 0.17 -0.05 0.00 -0.85 0.00 0.00 174.74 174.02 2gt3 s ALA 93 N -1.84 3.09 -0.23 -1.40 0.00 0.42 -4.58 121.76 117.22 2gt3 s ALA 93 Ca 0.50 -1.38 -0.29 0.00 0.00 0.00 0.00 51.96 50.80 2gt3 s ALA 93 Cb -0.12 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 22.08 2gt3 s ALA 93 CO 0.19 0.51 1.57 -2.00 0.00 0.00 0.00 175.76 176.03 2gt3 s GLU 94 N -2.78 3.80 0.20 0.00 2.56 -0.49 -1.93 118.70 120.07 2gt3 s GLU 94 Ca 0.26 1.60 0.03 0.00 0.00 0.00 0.00 54.97 56.86 2gt3 s GLU 94 Cb -0.09 -4.02 -0.05 0.00 2.00 0.00 0.00 34.13 31.97 2gt3 s GLU 94 CO 0.17 -1.28 -0.03 0.00 -0.56 0.00 0.00 175.26 173.56 2gt3 s ALA 95 N 5.11 1.62 -0.11 6.30 0.00 -1.07 -4.18 121.76 129.43 2gt3 s ALA 95 Ca 0.69 -1.65 -0.05 0.00 0.00 0.00 0.00 51.96 50.95 2gt3 s ALA 95 Cb -0.24 0.38 0.05 0.00 0.00 0.00 0.00 23.12 23.31 2gt3 s ALA 95 CO 0.28 -0.22 0.25 0.14 0.00 0.00 0.00 175.76 176.21 2gt3 s VAL 96 N -3.44 -0.05 -0.34 0.00 -7.23 -0.53 -2.08 120.40 106.73 2gt3 s VAL 96 Ca 0.24 0.15 -0.21 0.00 -1.81 0.00 0.00 61.98 60.36 2gt3 s VAL 96 Cb 0.05 -0.38 -0.00 0.00 0.56 0.00 0.00 36.38 36.60 2gt3 s VAL 96 CO 0.05 0.06 0.65 0.00 -0.31 0.00 0.00 175.10 175.55 2gt3 s ARG 97 N 1.29 3.76 -0.18 4.82 1.70 -0.67 -2.39 118.95 127.28 2gt3 s ARG 97 Ca -0.09 0.16 -0.07 0.00 -0.47 0.00 0.00 55.73 55.26 2gt3 s ARG 97 Cb -0.10 -3.78 -0.04 0.00 -0.57 0.00 0.00 34.95 30.46 2gt3 s ARG 97 CO -0.09 -0.69 0.05 0.42 -1.08 0.00 0.00 175.30 173.92 2gt3 s ILE 98 N 2.70 4.71 -0.32 4.99 1.09 0.54 -1.45 121.20 133.47 2gt3 s ILE 98 Ca 0.25 -0.06 -0.09 0.00 -1.10 0.00 0.00 60.65 59.65 2gt3 s ILE 98 Cb -0.15 -3.12 0.01 0.00 -1.06 0.00 0.00 42.46 38.14 2gt3 s ILE 98 CO 0.14 0.47 0.14 -0.69 -0.10 0.00 0.00 174.94 174.90 2gt3 s VAL 99 N 0.34 4.37 0.14 2.92 1.01 0.22 0.19 120.40 129.59 2gt3 s VAL 99 Ca 0.03 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 2gt3 s VAL 99 Cb -0.12 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2gt3 s VAL 99 CO 0.00 -0.00 0.06 -0.72 0.00 0.00 0.00 175.10 174.44 2gt3 s TYR 100 N 1.56 0.92 -0.12 5.22 -0.85 -0.70 0.22 117.35 123.59 2gt3 s TYR 100 Ca 0.03 -1.23 -0.05 0.00 -0.52 0.00 0.00 57.07 55.30 2gt3 s TYR 100 Cb -0.18 -0.51 -0.04 0.00 0.38 0.00 0.00 41.96 41.62 2gt3 s TYR 100 CO 0.05 -0.50 0.06 0.16 -1.52 0.00 0.00 175.55 173.80 2gt3 s ASP 101 N -3.07 5.73 0.00 -0.18 1.47 -1.08 -1.80 116.67 117.75 2gt3 s ASP 101 Ca 0.25 0.24 0.23 0.00 1.18 0.00 0.00 52.55 54.45 2gt3 s ASP 101 Cb 0.07 -1.80 1.11 0.00 -0.34 0.00 0.00 42.92 41.96 2gt3 s ASP 101 CO 0.03 0.34 1.73 -0.81 0.68 0.00 0.00 175.17 177.14 2gt3 n PRO 102 N 2.45 0.27 0.01 2.11 -0.04 -1.25 -0.61 135.00 137.94 2gt3 n PRO 102 Ca -0.19 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.47 2gt3 n PRO 102 Cb 0.54 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.71 2gt3 n PRO 102 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2gt3 n SER 103 N -1.32 0.55 -0.02 3.54 2.88 -1.26 -4.39 113.62 113.59 2gt3 n SER 103 Ca 0.10 -0.21 -0.06 0.00 -1.33 0.00 0.00 58.87 57.37 2gt3 n SER 103 Cb 0.19 0.29 -0.02 0.00 -0.75 0.00 0.00 64.21 63.93 2gt3 n SER 103 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2gt3 n VAL 104 N -1.63 0.58 -4.44 2.46 0.31 -0.90 -5.05 118.33 109.67 2gt3 n VAL 104 Ca 0.05 0.01 -0.30 0.00 -0.01 0.00 0.00 64.34 64.09 2gt3 n VAL 104 Cb 0.36 -1.63 -0.11 0.00 -0.91 0.00 0.00 33.84 31.54 2gt3 n VAL 104 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 2gt3 s ILE 105 N -2.14 2.99 0.06 2.52 1.10 0.22 -4.93 121.20 121.01 2gt3 s ILE 105 Ca -0.09 -1.28 0.05 0.00 -0.51 0.00 0.00 60.65 58.83 2gt3 s ILE 105 Cb 0.03 -2.33 -0.04 0.00 0.15 0.00 0.00 42.46 40.27 2gt3 s ILE 105 CO 0.11 0.22 -0.07 -0.94 -2.11 0.00 0.00 174.94 172.15 2gt3 s SER 106 N -1.82 4.61 0.22 4.50 1.04 -1.26 -3.78 113.70 117.20 2gt3 s SER 106 Ca 0.17 -0.24 -0.11 0.00 0.48 0.00 0.00 55.95 56.25 2gt3 s SER 106 Cb -0.11 -1.01 0.30 0.00 0.10 0.00 0.00 66.02 65.30 2gt3 s SER 106 CO 0.09 0.22 1.65 1.88 0.98 0.00 0.00 173.24 178.06 2gt3 h TYR 107 N 3.98 -0.13 -0.79 5.02 0.05 -1.96 0.18 116.97 123.32 2gt3 h TYR 107 Ca -0.48 0.05 0.17 0.00 0.05 0.00 0.00 58.73 58.52 2gt3 h TYR 107 Cb 1.17 0.16 -0.11 0.00 1.01 0.00 0.00 36.73 38.95 2gt3 h TYR 107 CO 0.59 -0.21 0.28 0.93 -1.05 0.00 0.00 178.16 178.70 2gt3 h GLU 108 N 0.08 0.35 -0.04 4.88 5.08 -1.97 0.59 114.58 123.55 2gt3 h GLU 108 Ca 0.33 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2gt3 h GLU 108 Cb 0.54 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2gt3 h GLU 108 CO -0.58 0.23 0.02 1.96 -1.00 0.00 0.00 179.01 179.64 2gt3 h GLN 109 N 0.36 0.06 -0.58 2.33 4.20 -1.10 1.03 115.11 121.41 2gt3 h GLN 109 Ca 0.46 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 59.17 2gt3 h GLN 109 Cb 0.79 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 2gt3 h GLN 109 CO -0.49 0.13 0.38 -0.07 -0.67 0.00 0.00 178.83 178.12 2gt3 h LEU 110 N -0.03 0.65 -0.02 1.46 3.38 -0.02 0.43 115.31 121.16 2gt3 h LEU 110 Ca 0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2gt3 h LEU 110 Cb 0.09 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2gt3 h LEU 110 CO -0.00 0.47 -0.06 -0.07 0.09 0.00 0.00 178.44 178.86 2gt3 h LEU 111 N 0.77 0.09 -0.48 1.67 3.38 0.67 -2.46 115.31 118.95 2gt3 h LEU 111 Ca 0.22 -0.63 0.05 0.00 0.09 0.00 0.00 57.88 57.60 2gt3 h LEU 111 Cb -0.07 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2gt3 h LEU 111 CO -0.05 0.71 0.23 -0.61 0.09 0.00 0.00 178.44 178.80 2gt3 h GLN 112 N -0.52 0.44 -0.45 1.13 5.75 0.16 0.78 115.11 122.40 2gt3 h GLN 112 Ca -0.00 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.53 2gt3 h GLN 112 Cb 0.70 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 29.10 2gt3 h GLN 112 CO 0.01 0.29 0.15 -0.24 -2.65 0.00 0.00 178.83 176.39 2gt3 h VAL 113 N 0.45 0.84 0.34 2.39 3.04 -0.19 0.43 116.25 123.54 2gt3 h VAL 113 Ca 0.22 -0.11 -0.02 0.00 -1.01 0.00 0.00 66.70 65.78 2gt3 h VAL 113 Cb 0.15 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 29.93 2gt3 h VAL 113 CO -0.17 0.06 -0.16 -0.26 -1.01 0.00 0.00 177.57 176.03 2gt3 h PHE 114 N 0.31 -0.42 -0.57 3.17 0.04 -0.84 0.82 116.94 119.46 2gt3 h PHE 114 Ca 0.21 -0.01 0.16 0.00 2.80 0.00 0.00 57.97 61.14 2gt3 h PHE 114 Cb 0.22 0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 2gt3 h PHE 114 CO -0.16 -0.09 0.69 -1.49 -0.60 0.00 0.00 178.31 176.66 2gt3 h TRP 115 N -0.80 0.00 0.00 -0.55 -0.00 0.80 1.85 115.95 117.25 2gt3 h TRP 115 Ca -0.05 0.00 -0.32 0.00 -0.00 0.00 0.00 58.89 58.52 2gt3 h TRP 115 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 29.16 29.62 2gt3 h TRP 115 CO 0.02 0.00 -1.98 0.39 -0.00 0.00 0.00 178.44 176.87 2gt3 n GLU 116 N -3.47 0.66 -1.25 0.49 -0.58 0.12 -4.14 120.64 112.46 2gt3 n GLU 116 Ca 0.11 0.18 -0.20 0.00 -0.42 0.00 0.00 57.16 56.83 2gt3 n GLU 116 Cb 0.90 -1.69 0.13 0.00 -0.57 0.00 0.00 31.44 30.21 2gt3 n GLU 116 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2gt3 n ASN 117 N -2.94 4.57 -3.55 1.62 3.02 0.49 -4.21 115.26 114.27 2gt3 n ASN 117 Ca -0.24 -3.75 -0.07 0.00 -0.03 0.00 0.00 54.58 50.50 2gt3 n ASN 117 Cb 1.09 -0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 39.51 2gt3 n ASN 117 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2gt3 s HIS 118 N -3.48 -0.27 -0.11 3.10 5.65 0.51 -4.84 115.29 115.85 2gt3 s HIS 118 Ca 0.54 0.23 0.00 0.00 0.25 0.00 0.00 55.06 56.08 2gt3 s HIS 118 Cb 0.45 0.52 -0.02 0.00 -1.18 0.00 0.00 32.58 32.35 2gt3 s HIS 118 CO 0.03 -0.39 -0.10 -0.51 -0.65 0.00 0.00 174.74 173.12 2gt3 s ASP 119 N -2.13 4.27 0.00 9.88 -0.00 -1.26 -4.57 116.67 122.86 2gt3 s ASP 119 Ca 0.05 -0.21 0.24 0.00 -0.00 0.00 0.00 52.55 52.63 2gt3 s ASP 119 Cb -0.01 -1.43 1.42 0.00 -0.00 0.00 0.00 42.92 42.91 2gt3 s ASP 119 CO -0.06 0.23 1.79 -0.81 -0.00 0.00 0.00 175.17 176.33 2gt3 n PRO 120 N 3.08 0.75 -2.66 8.23 -0.04 -1.26 -3.07 135.00 140.03 2gt3 n PRO 120 Ca -0.18 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.19 2gt3 n PRO 120 Cb 0.53 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.52 2gt3 n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gt3 n ALA 121 N -1.00 3.43 0.26 0.55 0.00 -1.26 0.93 120.51 123.43 2gt3 n ALA 121 Ca 0.18 -3.15 0.11 0.00 0.00 0.00 0.00 53.44 50.58 2gt3 n ALA 121 Cb 0.08 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2gt3 n ALA 121 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2gt3 n GLN 122 N -0.10 0.50 0.00 0.00 -0.06 -1.17 -4.86 117.38 111.68 2gt3 n GLN 122 Ca 0.10 0.04 0.00 0.00 -2.00 0.00 0.00 57.00 55.14 2gt3 n GLN 122 Cb 0.81 -1.71 0.00 0.00 -4.06 0.00 0.00 30.24 25.28 2gt3 n GLN 122 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2gt3 n GLY 123 N 1.26 -0.13 2.75 1.69 0.00 -1.26 -3.32 105.19 106.17 2gt3 n GLY 123 Ca 0.00 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 44.94 2gt3 n GLY 123 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2gt3 n MET 124 N -1.02 1.82 0.00 1.61 0.00 -1.26 -4.18 117.12 114.09 2gt3 n MET 124 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 57.70 56.21 2gt3 n MET 124 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 33.22 30.69 2gt3 n MET 124 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 2gt3 n ARG 125 N 4.91 0.00 -3.68 3.17 1.85 -0.96 -2.27 116.66 119.68 2gt3 n ARG 125 Ca 0.43 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 57.17 2gt3 n ARG 125 Cb 0.19 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.48 2gt3 n ARG 125 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2gt3 s GLN 126 N -2.00 0.28 4.62 2.89 0.74 0.50 -4.75 119.66 121.93 2gt3 s GLN 126 Ca 0.00 0.80 0.00 0.00 0.05 0.00 0.00 55.36 56.21 2gt3 s GLN 126 Cb 0.00 0.06 0.00 0.00 1.10 0.00 0.00 33.01 34.17 2gt3 s GLN 126 CO 0.00 -0.22 0.00 0.41 -0.55 0.00 0.00 175.29 174.93 2gt3 n GLY 127 N 4.85 3.32 0.88 2.59 0.00 -1.26 0.13 105.19 115.72 2gt3 n GLY 127 Ca -0.15 0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.05 2gt3 n GLY 127 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2gt3 n ASN 128 N 4.90 2.55 -4.33 1.61 6.94 -1.26 -4.78 115.26 120.90 2gt3 n ASN 128 Ca 0.00 -2.09 -0.36 0.00 -0.02 0.00 0.00 54.58 52.12 2gt3 n ASN 128 Cb 0.00 -0.34 -0.13 0.00 -2.36 0.00 0.00 39.78 36.94 2gt3 n ASN 128 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 2gt3 s ASP 129 N -0.91 4.63 0.15 0.53 1.01 0.36 -5.10 116.67 117.35 2gt3 s ASP 129 Ca 0.29 -0.50 0.08 0.00 0.71 0.00 0.00 52.55 53.13 2gt3 s ASP 129 Cb 0.17 -1.79 -0.04 0.00 1.01 0.00 0.00 42.92 42.26 2gt3 s ASP 129 CO 0.18 -0.08 -0.08 -1.38 0.21 0.00 0.00 175.17 174.02 2gt3 s HIS 130 N 1.49 2.71 0.00 4.23 -3.43 -1.26 0.19 115.29 119.21 2gt3 s HIS 130 Ca 0.04 -0.18 0.00 0.00 -0.80 0.00 0.00 55.06 54.12 2gt3 s HIS 130 Cb -0.15 -1.36 0.00 0.00 -1.43 0.00 0.00 32.58 29.64 2gt3 s HIS 130 CO -0.01 0.48 0.00 0.41 -2.00 0.00 0.00 174.74 173.62 2gt3 n GLY 131 N 0.23 3.41 0.10 -1.38 0.00 -0.96 -4.90 105.19 101.70 2gt3 n GLY 131 Ca -0.11 -1.49 0.16 0.00 0.00 0.00 0.00 46.02 44.57 2gt3 n GLY 131 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2gt3 n THR 132 N -1.76 0.00 0.32 2.61 -1.04 -1.26 -2.93 114.28 110.22 2gt3 n THR 132 Ca 0.00 -0.05 0.11 0.00 -2.04 0.00 0.00 64.05 62.07 2gt3 n THR 132 Cb 0.00 -0.29 0.02 0.00 -1.82 0.00 0.00 70.33 68.25 2gt3 n THR 132 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2gt3 n GLN 133 N -0.75 0.46 -1.37 -2.82 7.27 -1.26 -4.02 117.38 114.89 2gt3 n GLN 133 Ca 0.23 0.05 -0.29 0.00 0.07 0.00 0.00 57.00 57.05 2gt3 n GLN 133 Cb 0.16 -1.70 0.10 0.00 2.41 0.00 0.00 30.24 31.21 2gt3 n GLN 133 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2gt3 n TYR 134 N -2.32 3.00 -1.18 3.69 4.01 -1.15 -1.39 117.16 121.81 2gt3 n TYR 134 Ca 0.01 -2.62 -0.30 0.00 -0.16 0.00 0.00 57.90 54.83 2gt3 n TYR 134 Cb 0.50 -1.15 0.22 0.00 -0.31 0.00 0.00 39.34 38.59 2gt3 n TYR 134 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2gt3 s ARG 135 N -3.67 -0.60 -0.17 -0.72 0.52 -1.26 -2.27 118.95 110.78 2gt3 s ARG 135 Ca 0.60 0.06 -0.01 0.00 -0.52 0.00 0.00 55.73 55.87 2gt3 s ARG 135 Cb 0.48 -1.66 0.05 0.00 0.52 0.00 0.00 34.95 34.34 2gt3 s ARG 135 CO 0.02 -3.33 -0.02 -1.12 0.02 0.00 0.00 175.30 170.87 2gt3 s SER 136 N -3.86 2.84 0.24 0.23 0.01 -1.26 -3.15 113.70 108.76 2gt3 s SER 136 Ca 0.69 -0.71 -0.14 0.00 1.31 0.00 0.00 55.95 57.11 2gt3 s SER 136 Cb -0.12 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.31 2gt3 s SER 136 CO 0.56 -0.23 0.48 0.00 0.41 0.00 0.00 173.24 174.47 2gt3 s ALA 137 N 1.71 -0.39 -0.09 1.44 0.00 -1.05 -2.59 121.76 120.78 2gt3 s ALA 137 Ca -0.00 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.24 2gt3 s ALA 137 Cb -0.16 1.01 0.01 0.00 0.00 0.00 0.00 23.12 23.98 2gt3 s ALA 137 CO -0.07 -0.84 -0.17 0.42 0.00 0.00 0.00 175.76 175.09 2gt3 s ILE 138 N -3.99 1.56 -0.70 0.00 1.01 0.40 -1.97 121.20 117.52 2gt3 s ILE 138 Ca 0.19 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 60.15 2gt3 s ILE 138 Cb -0.01 -1.40 0.17 0.00 0.01 0.00 0.00 42.46 41.24 2gt3 s ILE 138 CO 0.06 0.45 0.51 -0.31 0.00 0.00 0.00 174.94 175.65 2gt3 s TYR 139 N 0.69 3.54 0.89 3.97 2.02 0.41 -1.53 117.35 127.35 2gt3 s TYR 139 Ca -0.13 -3.10 -0.12 0.00 -0.37 0.00 0.00 57.07 53.35 2gt3 s TYR 139 Cb -0.16 -2.97 0.13 0.00 -0.40 0.00 0.00 41.96 38.56 2gt3 s TYR 139 CO 0.03 -0.69 1.13 -1.25 -1.57 0.00 0.00 175.55 173.20 2gt3 s PRO 140 N -0.91 1.29 0.00 -1.71 0.04 -1.26 -2.65 135.00 129.81 2gt3 s PRO 140 Ca 0.22 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.61 2gt3 s PRO 140 Cb -0.13 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2gt3 s PRO 140 CO -0.09 -2.10 0.00 1.28 0.04 0.00 0.00 177.00 176.12 2gt3 n LEU 141 N -3.71 2.43 -4.96 -3.56 7.99 -1.26 -3.41 117.00 110.53 2gt3 n LEU 141 Ca 0.07 0.00 -0.22 0.00 -0.01 0.00 0.00 56.01 55.84 2gt3 n LEU 141 Cb 0.59 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.89 2gt3 n LEU 141 CO 0.57 0.41 0.13 0.42 -1.51 0.00 0.00 177.39 177.41 2gt3 s THR 142 N -1.99 4.79 0.02 -5.08 -4.23 -1.26 -5.00 115.64 102.89 2gt3 s THR 142 Ca 0.00 -0.66 0.19 0.00 -1.18 0.00 0.00 61.69 60.04 2gt3 s THR 142 Cb 0.00 -3.73 0.14 0.00 1.34 0.00 0.00 72.50 70.25 2gt3 s THR 142 CO 0.00 -0.41 1.65 1.55 -0.54 0.00 0.00 174.62 176.87 2gt3 h PRO 143 N 0.80 0.00 0.00 3.99 0.13 -2.01 -3.01 132.00 131.90 2gt3 h PRO 143 Ca -0.49 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.45 2gt3 h PRO 143 Cb 1.23 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 2gt3 h PRO 143 CO 0.59 0.37 -0.90 0.93 -0.23 0.00 0.00 178.00 178.77 2gt3 h GLU 144 N 0.00 0.00 0.73 0.86 5.08 -1.98 -2.85 114.58 116.41 2gt3 h GLU 144 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2gt3 h GLU 144 Cb 1.04 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.30 2gt3 h GLU 144 CO 0.05 0.90 -0.35 0.37 -1.00 0.00 0.00 179.01 178.98 2gt3 h GLN 145 N 0.00 -0.94 -0.73 2.33 4.15 -1.93 -0.76 115.11 117.23 2gt3 h GLN 145 Ca -0.01 0.06 0.12 0.00 0.77 0.00 0.00 58.65 59.60 2gt3 h GLN 145 Cb 1.60 0.21 -0.08 0.00 0.21 0.00 0.00 27.48 29.42 2gt3 h GLN 145 CO 0.12 -0.62 0.32 0.38 -1.93 0.00 0.00 178.83 177.10 2gt3 h ASP 146 N -1.25 0.36 -0.70 -0.69 2.03 -1.65 1.53 116.42 116.05 2gt3 h ASP 146 Ca -0.10 0.09 0.08 0.00 -0.73 0.00 0.00 57.03 56.36 2gt3 h ASP 146 Cb 0.75 0.04 -0.06 0.00 -0.83 0.00 0.00 39.33 39.23 2gt3 h ASP 146 CO 0.16 0.17 0.37 0.00 -1.03 0.00 0.00 179.24 178.92 2gt3 h ALA 147 N 1.49 0.96 -0.13 4.15 0.00 -1.45 1.42 119.26 125.71 2gt3 h ALA 147 Ca 0.39 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.17 2gt3 h ALA 147 Cb 0.51 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2gt3 h ALA 147 CO -0.34 0.01 -0.56 0.00 0.00 0.00 0.00 179.25 178.36 2gt3 h ALA 148 N 1.39 0.24 -0.05 0.00 0.00 0.79 0.11 119.26 121.76 2gt3 h ALA 148 Ca 0.33 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2gt3 h ALA 148 Cb 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2gt3 h ALA 148 CO -0.22 0.47 0.01 0.00 0.00 0.00 0.00 179.25 179.50 2gt3 h ALA 149 N 0.51 0.04 -0.31 0.00 0.00 0.29 1.01 119.26 120.80 2gt3 h ALA 149 Ca -0.03 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2gt3 h ALA 149 Cb 1.20 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2gt3 h ALA 149 CO 0.12 -0.47 0.06 0.00 0.00 0.00 0.00 179.25 178.95 2gt3 h ARG 150 N 0.03 0.51 -0.04 0.00 3.08 0.19 0.52 114.38 118.66 2gt3 h ARG 150 Ca 0.02 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2gt3 h ARG 150 Cb 0.02 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 2gt3 h ARG 150 CO -0.03 0.60 0.03 0.00 -1.07 0.00 0.00 179.97 179.50 2gt3 h ALA 151 N 0.89 0.05 -0.55 0.04 0.00 -0.48 0.51 119.26 119.73 2gt3 h ALA 151 Ca 0.10 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2gt3 h ALA 151 Cb 0.33 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2gt3 h ALA 151 CO 0.00 -0.45 0.29 0.66 0.00 0.00 0.00 179.25 179.75 2gt3 h SER 152 N 0.06 0.43 -0.17 0.00 4.64 0.12 0.16 113.55 118.79 2gt3 h SER 152 Ca 0.02 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 2gt3 h SER 152 Cb -0.01 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 2gt3 h SER 152 CO -0.00 0.29 0.08 0.25 -0.87 0.00 0.00 176.83 176.57 2gt3 h LEU 153 N 0.56 0.22 -1.18 5.97 6.46 -0.44 0.49 115.31 127.39 2gt3 h LEU 153 Ca 0.24 -0.13 0.10 0.00 -0.12 0.00 0.00 57.88 57.97 2gt3 h LEU 153 Cb 0.14 -0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 39.94 2gt3 h LEU 153 CO -0.16 0.29 0.58 -0.08 -0.62 0.00 0.00 178.44 178.45 2gt3 h GLU 154 N 0.14 0.87 -0.02 1.25 4.57 0.68 0.32 114.58 122.39 2gt3 h GLU 154 Ca 0.06 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2gt3 h GLU 154 Cb 0.13 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 2gt3 h GLU 154 CO -0.01 0.58 -0.11 -0.09 -1.18 0.00 0.00 179.01 178.20 2gt3 h ARG 155 N 0.90 0.11 -0.20 1.92 2.43 -0.17 -3.18 114.38 116.19 2gt3 h ARG 155 Ca 0.42 -0.09 0.04 0.00 -0.81 0.00 0.00 59.98 59.54 2gt3 h ARG 155 Cb 0.40 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 2gt3 h ARG 155 CO -0.18 0.75 0.14 0.35 -1.51 0.00 0.00 179.97 179.52 2gt3 h PHE 156 N -0.50 0.07 -0.85 2.20 3.57 0.62 -0.80 116.94 121.26 2gt3 h PHE 156 Ca -0.01 0.00 0.22 0.00 3.53 0.00 0.00 57.97 61.71 2gt3 h PHE 156 Cb 0.77 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.43 2gt3 h PHE 156 CO 0.15 0.04 0.58 0.37 -2.23 0.00 0.00 178.31 177.23 2gt3 h GLN 157 N 0.08 0.21 0.20 1.11 4.15 -0.36 0.25 115.11 120.75 2gt3 h GLN 157 Ca 0.09 -0.01 -0.31 0.00 0.77 0.00 0.00 58.65 59.18 2gt3 h GLN 157 Cb 0.26 -0.05 0.03 0.00 0.21 0.00 0.00 27.48 27.94 2gt3 h GLN 157 CO -0.01 0.14 -1.35 0.00 -1.93 0.00 0.00 178.83 175.68 2gt3 h ALA 158 N 1.61 -0.10 -0.73 3.38 0.00 -1.27 -3.21 119.26 118.94 2gt3 h ALA 158 Ca 0.43 -0.81 0.14 0.00 0.00 0.00 0.00 54.91 54.66 2gt3 h ALA 158 Cb 1.33 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 2gt3 h ALA 158 CO -0.10 0.66 0.49 0.00 0.00 0.00 0.00 179.25 180.31 2gt3 h ALA 159 N 0.20 2.11 -0.02 0.00 0.00 -0.49 -0.73 119.26 120.33 2gt3 h ALA 159 Ca -0.23 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2gt3 h ALA 159 Cb 2.04 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 2gt3 h ALA 159 CO 0.26 -0.30 0.01 0.52 0.00 0.00 0.00 179.25 179.74 2gt3 h MET 160 N 0.41 0.02 -0.77 0.00 2.07 -1.14 -2.38 114.93 113.15 2gt3 h MET 160 Ca 0.35 -0.00 0.06 0.00 -2.07 0.00 0.00 59.70 58.04 2gt3 h MET 160 Cb 0.80 -0.00 -0.06 0.00 -1.87 0.00 0.00 31.60 30.47 2gt3 h MET 160 CO -0.11 0.10 0.45 -0.07 1.07 0.00 0.00 176.91 178.36 2gt3 h LEU 161 N -0.06 0.69 -2.80 1.22 -0.00 -1.21 0.46 115.31 113.61 2gt3 h LEU 161 Ca 0.01 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2gt3 h LEU 161 Cb 0.09 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.63 2gt3 h LEU 161 CO -0.00 0.44 0.02 0.00 -0.00 0.00 0.00 178.44 178.90 2gt3 h ALA 162 N 1.38 1.02 -0.48 1.53 0.00 -0.99 0.69 119.26 122.41 2gt3 h ALA 162 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2gt3 h ALA 162 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2gt3 h ALA 162 CO -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.05 2gt3 n ALA 163 N -2.04 3.27 -1.68 0.00 0.00 0.15 -4.86 120.51 115.35 2gt3 n ALA 163 Ca -0.03 -1.36 -0.19 0.00 0.00 0.00 0.00 53.44 51.87 2gt3 n ALA 163 Cb 0.09 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.41 2gt3 n ALA 163 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2gt3 n ASP 164 N 0.67 -5.03 -4.32 0.00 2.03 0.24 -4.91 116.55 105.23 2gt3 n ASP 164 Ca 0.21 0.40 -0.45 0.00 0.52 0.00 0.00 54.79 55.47 2gt3 n ASP 164 Cb 0.85 -4.44 -0.07 0.00 -0.72 0.00 0.00 41.12 36.75 2gt3 n ASP 164 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2gt3 s ASP 165 N -2.51 6.09 0.00 1.67 1.11 -0.72 -4.88 116.67 117.43 2gt3 s ASP 165 Ca 0.00 -1.63 0.14 0.00 0.18 0.00 0.00 52.55 51.25 2gt3 s ASP 165 Cb 0.00 -2.16 0.46 0.00 1.07 0.00 0.00 42.92 42.29 2gt3 s ASP 165 CO 0.00 -0.75 1.36 -0.90 1.18 0.00 0.00 175.17 176.06 2gt3 n ASP 166 N 5.18 1.87 -4.62 0.27 5.68 -1.26 -3.54 116.55 120.12 2gt3 n ASP 166 Ca -0.13 -1.91 -0.35 0.00 -0.50 0.00 0.00 54.79 51.91 2gt3 n ASP 166 Cb 0.42 -0.20 0.09 0.00 -1.14 0.00 0.00 41.12 40.29 2gt3 n ASP 166 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 2gt3 n ARG 167 N 0.50 0.45 -3.09 0.11 3.00 -1.26 -4.94 116.66 111.42 2gt3 n ARG 167 Ca 0.14 0.21 -0.40 0.00 -0.00 0.00 0.00 57.85 57.80 2gt3 n ARG 167 Cb 0.32 -2.25 -0.06 0.00 0.00 0.00 0.00 32.46 30.47 2gt3 n ARG 167 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2gt3 s HIS 168 N -1.87 3.37 0.13 -0.14 5.65 -1.26 -5.01 115.29 116.17 2gt3 s HIS 168 Ca 0.73 0.95 -0.31 0.00 0.25 0.00 0.00 55.06 56.68 2gt3 s HIS 168 Cb -0.33 -2.83 -0.10 0.00 -1.18 0.00 0.00 32.58 28.14 2gt3 s HIS 168 CO 0.51 -0.19 1.79 0.42 -0.65 0.00 0.00 174.74 176.62 2gt3 s ILE 169 N 1.99 2.51 -0.16 0.89 1.01 -1.26 -4.64 121.20 121.53 2gt3 s ILE 169 Ca 0.29 0.09 0.10 0.00 0.00 0.00 0.00 60.65 61.13 2gt3 s ILE 169 Cb -0.16 -3.06 -0.23 0.00 0.01 0.00 0.00 42.46 39.02 2gt3 s ILE 169 CO 0.10 0.00 0.21 0.35 0.00 0.00 0.00 174.94 175.60 2gt3 n THR 170 N 4.61 1.53 -1.65 2.92 -2.24 0.26 -4.94 114.28 114.78 2gt3 n THR 170 Ca 0.17 -0.75 -0.55 0.00 -2.27 0.00 0.00 64.05 60.65 2gt3 n THR 170 Cb 0.38 -1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 67.54 2gt3 n THR 170 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2gt3 n THR 171 N -3.04 0.16 -4.23 4.28 5.66 -0.97 -4.90 114.28 111.23 2gt3 n THR 171 Ca -0.31 -0.03 -0.21 0.00 -3.05 0.00 0.00 64.05 60.45 2gt3 n THR 171 Cb 1.08 -1.02 -0.12 0.00 -1.55 0.00 0.00 70.33 68.71 2gt3 n THR 171 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2gt3 s GLU 172 N 2.02 0.96 -0.27 1.09 -1.05 -1.07 -4.98 118.70 115.40 2gt3 s GLU 172 Ca 0.91 -1.03 -0.06 0.00 -0.15 0.00 0.00 54.97 54.64 2gt3 s GLU 172 Cb -1.01 -1.07 -0.01 0.00 -0.44 0.00 0.00 34.13 31.60 2gt3 s GLU 172 CO 0.56 0.24 0.05 0.42 0.95 0.00 0.00 175.26 177.49 2gt3 s ILE 173 N -1.20 3.95 0.15 1.83 1.01 -1.26 -0.45 121.20 125.23 2gt3 s ILE 173 Ca 0.02 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.23 2gt3 s ILE 173 Cb -0.10 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 2gt3 s ILE 173 CO 0.03 0.22 -0.14 0.00 0.00 0.00 0.00 174.94 175.05 2gt3 s ALA 174 N 1.53 1.70 0.73 9.38 0.00 -0.58 -4.94 121.76 129.58 2gt3 s ALA 174 Ca 0.04 -1.44 -0.16 0.00 0.00 0.00 0.00 51.96 50.40 2gt3 s ALA 174 Cb -0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 2gt3 s ALA 174 CO 0.02 0.08 0.72 -1.71 0.00 0.00 0.00 175.76 174.87 2gt3 n ASN 175 N 0.16 -0.48 -4.66 0.00 5.15 -1.26 -4.09 115.26 110.07 2gt3 n ASN 175 Ca -0.12 0.61 -0.43 0.00 -0.60 0.00 0.00 54.58 54.04 2gt3 n ASN 175 Cb 0.58 -1.30 -0.02 0.00 -0.53 0.00 0.00 39.78 38.51 2gt3 n ASN 175 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2gt3 s ALA 176 N -1.91 3.64 0.58 5.20 0.00 -1.22 -4.85 121.76 123.21 2gt3 s ALA 176 Ca 0.68 0.63 -0.03 0.00 0.00 0.00 0.00 51.96 53.25 2gt3 s ALA 176 Cb -0.34 -3.66 0.03 0.00 0.00 0.00 0.00 23.12 19.15 2gt3 s ALA 176 CO 0.55 -1.24 0.85 0.95 0.00 0.00 0.00 175.76 176.87 2gt3 s THR 177 N 3.66 3.01 -1.17 0.00 -4.23 -1.26 -4.96 115.64 110.69 2gt3 s THR 177 Ca 0.61 -0.38 -0.19 0.00 -1.18 0.00 0.00 61.69 60.56 2gt3 s THR 177 Cb -0.26 -3.19 -0.04 0.00 1.34 0.00 0.00 72.50 70.36 2gt3 s THR 177 CO 0.20 -0.16 1.96 -0.81 -0.54 0.00 0.00 174.62 175.27 2gt3 n PRO 178 N -2.51 2.27 -1.79 3.99 -0.04 -1.26 -4.95 135.00 130.72 2gt3 n PRO 178 Ca 0.06 -2.51 -0.36 0.00 -0.04 0.00 0.00 63.50 60.64 2gt3 n PRO 178 Cb 0.59 -3.33 0.06 0.00 -0.04 0.00 0.00 33.50 30.78 2gt3 n PRO 178 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2gt3 s PHE 179 N 5.68 2.15 -0.08 0.54 -0.12 -1.26 -4.91 117.98 119.99 2gt3 s PHE 179 Ca 0.56 1.50 0.03 0.00 -0.05 0.00 0.00 56.93 58.97 2gt3 s PHE 179 Cb 0.09 -3.63 -0.02 0.00 -0.63 0.00 0.00 43.02 38.83 2gt3 s PHE 179 CO 0.06 -2.72 -0.16 0.71 -0.05 0.00 0.00 175.22 173.05 2gt3 s TYR 180 N -1.49 2.68 0.24 3.49 1.51 -0.81 -4.91 117.35 118.06 2gt3 s TYR 180 Ca 0.81 -0.43 -0.31 0.00 -1.01 0.00 0.00 57.07 56.12 2gt3 s TYR 180 Cb -0.35 -1.69 -0.12 0.00 -0.11 0.00 0.00 41.96 39.69 2gt3 s TYR 180 CO 0.38 -0.03 1.67 0.66 -1.11 0.00 0.00 175.55 177.13 2gt3 n TYR 181 N 2.83 2.79 -2.12 2.71 4.01 -1.26 -2.34 117.16 123.78 2gt3 n TYR 181 Ca -0.18 0.13 -0.27 0.00 -0.16 0.00 0.00 57.90 57.42 2gt3 n TYR 181 Cb 0.52 -2.64 0.07 0.00 -0.31 0.00 0.00 39.34 36.98 2gt3 n TYR 181 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2gt3 s ALA 182 N 0.71 3.02 0.80 -0.72 0.00 0.11 -4.88 121.76 120.79 2gt3 s ALA 182 Ca 0.71 -0.84 -0.14 0.00 0.00 0.00 0.00 51.96 51.69 2gt3 s ALA 182 Cb -0.51 -2.71 0.02 0.00 0.00 0.00 0.00 23.12 19.93 2gt3 s ALA 182 CO 0.39 -1.39 0.79 -1.91 0.00 0.00 0.00 175.76 173.64 2gt3 n GLU 183 N -3.03 0.16 -0.19 0.00 2.13 -1.26 -4.62 120.64 113.83 2gt3 n GLU 183 Ca 0.08 0.11 -0.07 0.00 0.66 0.00 0.00 57.16 57.95 2gt3 n GLU 183 Cb 0.60 -2.10 0.09 0.00 0.27 0.00 0.00 31.44 30.30 2gt3 n GLU 183 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2gt3 h ASP 184 N -0.79 0.96 -0.84 4.31 1.82 -1.88 0.46 116.42 120.46 2gt3 h ASP 184 Ca -0.46 -0.23 0.11 0.00 -0.39 0.00 0.00 57.03 56.06 2gt3 h ASP 184 Cb 1.32 -0.25 -0.06 0.00 0.68 0.00 0.00 39.33 41.01 2gt3 h ASP 184 CO 0.43 0.98 0.55 -0.78 -1.61 0.00 0.00 179.24 178.80 2gt3 h ASP 185 N 0.94 0.68 0.03 2.28 3.58 -1.97 -2.39 116.42 119.56 2gt3 h ASP 185 Ca 0.18 0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.57 2gt3 h ASP 185 Cb 0.45 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.38 2gt3 h ASP 185 CO 0.02 0.39 -0.45 0.45 -2.88 0.00 0.00 179.24 176.76 2gt3 h HIS 186 N 0.74 0.11 -1.92 0.28 3.86 -1.73 -3.40 115.15 113.09 2gt3 h HIS 186 Ca 0.40 -0.08 -0.65 0.00 -1.16 0.00 0.00 60.37 58.89 2gt3 h HIS 186 Cb 0.53 -0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.03 2gt3 h HIS 186 CO -0.00 1.18 0.82 1.04 0.86 0.00 0.00 177.93 181.83 2gt3 n GLN 187 N -4.46 1.72 -3.81 2.45 6.02 0.16 -1.20 117.38 118.26 2gt3 n GLN 187 Ca -0.16 0.63 -0.24 0.00 -0.01 0.00 0.00 57.00 57.22 2gt3 n GLN 187 Cb 0.60 -2.37 0.01 0.00 1.02 0.00 0.00 30.24 29.49 2gt3 n GLN 187 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2gt3 n GLN 188 N 4.50 -3.64 0.03 -1.09 3.00 -1.26 -4.84 117.38 114.08 2gt3 n GLN 188 Ca 0.21 0.50 -0.13 0.00 -0.01 0.00 0.00 57.00 57.57 2gt3 n GLN 188 Cb 0.23 -4.74 -0.09 0.00 0.00 0.00 0.00 30.24 25.64 2gt3 n GLN 188 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.06 176.14 2gt3 h TYR 189 N -1.85 -0.07 -0.06 1.08 5.03 -1.36 -2.40 116.97 117.35 2gt3 h TYR 189 Ca -0.63 -0.00 0.02 0.00 2.58 0.00 0.00 58.73 60.70 2gt3 h TYR 189 Cb 1.37 0.02 -0.00 0.00 1.55 0.00 0.00 36.73 39.67 2gt3 h TYR 189 CO 0.46 0.27 0.32 -0.07 -1.32 0.00 0.00 178.16 177.82 2gt3 h LEU 190 N -0.41 0.00 -0.05 2.82 -0.00 -1.77 0.42 115.31 116.32 2gt3 h LEU 190 Ca -0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.74 2gt3 h LEU 190 Cb 0.36 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.03 2gt3 h LEU 190 CO 0.01 0.00 -0.50 -0.74 -0.00 0.00 0.00 178.44 177.21 2gt3 h HIS 191 N 0.00 0.60 0.00 1.13 -0.00 -1.80 -2.61 115.15 112.47 2gt3 h HIS 191 Ca 0.03 -0.29 -0.08 0.00 -0.00 0.00 0.00 60.37 60.02 2gt3 h HIS 191 Cb 0.67 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.99 2gt3 h HIS 191 CO 0.00 1.08 -0.40 -0.22 -0.00 0.00 0.00 177.93 178.39 2gt3 h LYS 192 N -0.05 0.00 -2.91 5.26 1.63 -0.08 -3.38 116.57 117.04 2gt3 h LYS 192 Ca -0.05 0.00 -0.54 0.00 -0.85 0.00 0.00 60.65 59.21 2gt3 h LYS 192 Cb 1.18 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 32.41 2gt3 h LYS 192 CO 0.10 0.40 -0.78 -0.80 -3.45 0.00 0.00 179.45 174.93 2gt3 s ASN 193 N -6.63 3.58 0.46 4.20 0.01 0.08 -4.97 114.94 111.67 2gt3 s ASN 193 Ca -0.01 -1.42 0.26 0.00 -0.71 0.00 0.00 52.86 50.98 2gt3 s ASN 193 Cb 0.12 -0.45 0.78 0.00 0.41 0.00 0.00 41.25 42.12 2gt3 s ASN 193 CO 0.70 -0.43 1.77 1.55 -1.51 0.00 0.00 177.10 179.18 2gt3 h PRO 194 N 8.25 0.00 -0.02 -0.60 0.13 -1.66 -2.81 132.00 135.29 2gt3 h PRO 194 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2gt3 h PRO 194 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2gt3 h PRO 194 CO 0.43 0.09 -0.28 0.66 -0.23 0.00 0.00 178.00 178.68 2gt3 n TYR 195 N -3.16 0.00 -0.01 1.56 4.01 -1.26 -4.95 117.16 113.34 2gt3 n TYR 195 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2gt3 n TYR 195 Cb 0.45 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 2gt3 n TYR 195 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2gt3 n GLY 196 N 1.36 -3.62 3.74 2.72 0.00 -1.06 -4.97 105.19 103.37 2gt3 n GLY 196 Ca 0.12 -1.23 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 2gt3 n GLY 196 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gt3 s TYR 197 N -0.76 3.51 0.13 1.61 2.02 -1.26 -4.94 117.35 117.66 2gt3 s TYR 197 Ca 0.00 0.72 0.00 0.00 -0.37 0.00 0.00 57.07 57.42 2gt3 s TYR 197 Cb 0.00 -2.38 0.00 0.00 -0.40 0.00 0.00 41.96 39.18 2gt3 s TYR 197 CO 0.00 0.28 0.00 0.00 -1.57 0.00 0.00 175.55 174.26 2gt3 n GLY 199 N 3.09 -0.13 0.32 0.00 0.00 -1.26 -4.39 105.19 102.81 2gt3 n GLY 199 Ca 0.00 0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.30 2gt3 n GLY 199 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2gt3 h ILE 200 N -1.57 0.59 0.00 -0.61 -0.00 -1.92 -3.47 117.51 110.53 2gt3 h ILE 200 Ca -0.60 -0.18 0.00 0.00 -0.00 0.00 0.00 64.86 64.08 2gt3 h ILE 200 Cb 1.28 0.03 0.00 0.00 -0.00 0.00 0.00 36.82 38.13 2gt3 h ILE 200 CO 0.64 0.09 0.00 0.61 -0.00 0.00 0.00 178.15 179.50 2gt3 n GLY 201 N -1.33 -2.68 3.60 8.18 0.00 -1.26 -4.81 105.19 106.88 2gt3 n GLY 201 Ca 0.21 -2.14 -0.04 0.00 0.00 0.00 0.00 46.02 44.05 2gt3 n GLY 201 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gt3 s GLY 202 N 0.00 -0.29 0.00 -0.02 0.00 -1.26 -4.78 107.32 100.97 2gt3 s GLY 202 Ca 0.00 1.61 0.00 0.00 0.00 0.00 0.00 44.72 46.33 2gt3 s GLY 202 CO 0.00 0.54 0.00 4.51 0.00 0.00 0.00 173.10 178.15 2gt3 n ILE 203 N -0.09 0.00 -2.43 0.90 0.13 -1.26 -4.95 119.36 111.67 2gt3 n ILE 203 Ca 0.01 0.00 -0.02 0.00 -1.10 0.00 0.00 62.75 61.63 2gt3 n ILE 203 Cb 0.58 -1.05 0.00 0.00 -0.84 0.00 0.00 39.64 38.34 2gt3 n ILE 203 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2gt3 n GLY 204 N 2.70 -2.75 3.12 4.50 0.00 -1.26 -5.06 105.19 106.44 2gt3 n GLY 204 Ca 0.00 0.54 -0.22 0.00 0.00 0.00 0.00 46.02 46.33 2gt3 n GLY 204 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gt3 s VAL 205 N -1.61 1.15 0.25 1.61 1.01 -1.26 -5.10 120.40 116.45 2gt3 s VAL 205 Ca 0.08 -0.70 -0.27 0.00 0.00 0.00 0.00 61.98 61.09 2gt3 s VAL 205 Cb -0.02 -0.97 -0.16 0.00 0.00 0.00 0.00 36.38 35.23 2gt3 s VAL 205 CO 0.57 0.26 0.64 0.00 0.00 0.00 0.00 175.10 176.57 2gt3 h LEU 207 N 1.23 -0.20-10.17 0.00 3.38 -1.97 -3.45 115.31 104.13 2gt3 h LEU 207 Ca -0.33 -0.30 -0.49 0.00 0.09 0.00 0.00 57.88 56.86 2gt3 h LEU 207 Cb 1.41 0.05 0.05 0.00 0.09 0.00 0.00 40.66 42.26 2gt3 h LEU 207 CO 0.57 0.23 0.38 -2.16 0.09 0.00 0.00 178.44 177.55 2gt3 s PRO 208 N -4.30 3.49 0.06 1.13 0.04 -1.26 -4.94 135.00 129.21 2gt3 s PRO 208 Ca -0.14 1.21 -0.16 0.00 0.04 0.00 0.00 61.00 61.95 2gt3 s PRO 208 Cb 0.02 -2.06 -0.21 0.00 0.04 0.00 0.00 34.50 32.29 2gt3 s PRO 208 CO 0.57 -0.67 1.20 -1.00 0.04 0.00 0.00 177.00 177.13 2gt3 h PRO 209 N 0.73 0.62 -6.27 0.56 0.13 -1.88 -3.44 132.00 122.45 2gt3 h PRO 209 Ca -0.47 -0.61 -0.67 0.00 -0.87 0.00 0.00 66.00 63.38 2gt3 h PRO 209 Cb 1.22 0.16 0.04 0.00 0.13 0.00 0.00 31.00 32.54 2gt3 h PRO 209 CO 0.58 1.22 0.77 -1.91 -0.23 0.00 0.00 178.00 178.43 2gt3 n GLU 210 N -4.02 1.50 0.00 0.86 2.13 -1.26 -4.49 120.64 115.36 2gt3 n GLU 210 Ca -0.10 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.27 2gt3 n GLU 210 Cb 0.76 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 30.21 2gt3 n GLU 210 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72