#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 3.57 -4.41 -3.43 4.77 -1.26 -4.91 117.00 111.32 2gt3 n LEU 2 Ca 0.00 -2.51 -0.41 0.00 -0.03 0.00 0.00 56.01 53.06 2gt3 n LEU 2 Cb 0.00 -0.41 -0.11 0.00 -2.33 0.00 0.00 43.42 40.57 2gt3 n LEU 2 CO 0.00 0.71 -0.14 -0.36 -1.33 0.00 0.00 177.39 176.27 2gt3 s PHE 3 N -1.92 3.23 -0.36 -1.77 0.08 -1.26 -4.94 117.98 111.04 2gt3 s PHE 3 Ca 0.35 -0.78 0.13 0.00 0.12 0.00 0.00 56.93 56.75 2gt3 s PHE 3 Cb 0.24 -2.47 0.36 0.00 -0.57 0.00 0.00 43.02 40.59 2gt3 s PHE 3 CO 0.13 -0.59 0.76 -3.47 -0.10 0.00 0.00 175.22 171.95 2gt3 n ASP 4 N 5.04 0.90 -1.45 1.36 2.03 -1.26 -4.91 116.55 118.27 2gt3 n ASP 4 Ca -0.12 -2.97 -0.09 0.00 0.52 0.00 0.00 54.79 52.13 2gt3 n ASP 4 Cb 0.47 -0.60 0.07 0.00 -0.72 0.00 0.00 41.12 40.33 2gt3 n ASP 4 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2gt3 n LYS 5 N 0.24 1.45 -0.12 -0.67 4.01 -1.26 -4.01 118.16 117.79 2gt3 n LYS 5 Ca 0.23 -1.09 0.04 0.00 -0.51 0.00 0.00 58.31 56.98 2gt3 n LYS 5 Cb 0.68 -1.43 0.12 0.00 -0.51 0.00 0.00 35.03 33.89 2gt3 n LYS 5 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2gt3 n LYS 6 N -0.10 1.56 -1.58 1.97 4.76 -1.26 -4.85 118.16 118.67 2gt3 n LYS 6 Ca 0.22 -0.88 -0.40 0.00 -2.87 0.00 0.00 58.31 54.38 2gt3 n LYS 6 Cb 0.93 -1.19 -0.03 0.00 -1.84 0.00 0.00 35.03 32.89 2gt3 n LYS 6 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2gt3 n HIS 7 N 0.21 1.74 -1.41 2.13 8.25 -1.26 -4.93 115.22 119.96 2gt3 n HIS 7 Ca 0.08 -0.03 -0.29 0.00 -0.26 0.00 0.00 57.72 57.23 2gt3 n HIS 7 Cb 0.21 -2.69 0.15 0.00 1.12 0.00 0.00 29.99 28.78 2gt3 n HIS 7 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2gt3 s LEU 8 N 9.97 1.84 0.37 2.41 2.01 -1.26 -4.92 118.68 129.10 2gt3 s LEU 8 Ca 1.00 1.03 -0.23 0.00 0.01 0.00 0.00 54.13 55.94 2gt3 s LEU 8 Cb -0.27 -3.30 -0.15 0.00 0.01 0.00 0.00 46.19 42.49 2gt3 s LEU 8 CO 0.31 -2.78 0.26 0.55 1.01 0.00 0.00 176.35 175.70 2gt3 n VAL 9 N -3.92 1.11 -1.48 -1.59 3.14 -1.26 -4.91 118.33 109.41 2gt3 n VAL 9 Ca 0.06 -0.50 -0.29 0.00 -2.96 0.00 0.00 64.34 60.65 2gt3 n VAL 9 Cb 0.59 -0.12 0.13 0.00 -1.06 0.00 0.00 33.84 33.39 2gt3 n VAL 9 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2gt3 s SER 10 N -0.99 3.54 0.06 6.55 0.01 -1.26 -4.79 113.70 116.83 2gt3 s SER 10 Ca 0.61 1.06 -0.15 0.00 1.31 0.00 0.00 55.95 58.78 2gt3 s SER 10 Cb -0.68 -1.68 -0.21 0.00 0.21 0.00 0.00 66.02 63.66 2gt3 s SER 10 CO 0.61 -2.55 1.21 1.55 0.41 0.00 0.00 173.24 174.47 2gt3 h PRO 11 N -1.49 0.65 0.00 12.44 0.13 -1.92 0.97 132.00 142.78 2gt3 h PRO 11 Ca -0.51 -0.63 -0.07 0.00 -0.87 0.00 0.00 66.00 63.93 2gt3 h PRO 11 Cb 1.32 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.60 2gt3 h PRO 11 CO 0.61 1.24 -0.31 0.00 -0.23 0.00 0.00 178.00 179.30 2gt3 h ALA 12 N 0.43 1.11 0.22 -0.56 0.00 -2.00 -2.86 119.26 115.60 2gt3 h ALA 12 Ca -0.09 -0.28 -0.34 0.00 0.00 0.00 0.00 54.91 54.20 2gt3 h ALA 12 Cb 1.48 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 19.25 2gt3 h ALA 12 CO 0.17 0.39 -1.55 -0.44 0.00 0.00 0.00 179.25 177.81 2gt3 h ASP 13 N 0.00 0.73 -2.75 0.00 5.19 -1.92 -3.46 116.42 114.21 2gt3 h ASP 13 Ca -0.00 -0.87 -0.59 0.00 -0.62 0.00 0.00 57.03 54.95 2gt3 h ASP 13 Cb 0.74 -0.24 0.12 0.00 0.18 0.00 0.00 39.33 40.13 2gt3 h ASP 13 CO 0.04 1.70 0.11 0.00 -3.12 0.00 0.00 179.24 177.96 2gt3 n ALA 14 N -2.74 -0.11 -2.56 3.45 0.00 0.33 -4.90 120.51 113.97 2gt3 n ALA 14 Ca -0.19 0.30 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 2gt3 n ALA 14 Cb 1.09 -2.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.45 2gt3 n ALA 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2gt3 s LEU 15 N 0.10 4.27 -1.10 0.00 2.01 -0.39 -4.88 118.68 118.69 2gt3 s LEU 15 Ca 0.61 0.08 -0.22 0.00 0.01 0.00 0.00 54.13 54.61 2gt3 s LEU 15 Cb -0.62 -2.85 -0.00 0.00 0.01 0.00 0.00 46.19 42.73 2gt3 s LEU 15 CO 0.58 -0.69 1.76 -2.16 1.01 0.00 0.00 176.35 176.85 2gt3 s PRO 16 N 2.88 3.17 0.00 1.29 0.04 -1.26 -4.69 135.00 136.43 2gt3 s PRO 16 Ca 0.26 -1.14 0.00 0.00 0.04 0.00 0.00 61.00 60.17 2gt3 s PRO 16 Cb -0.14 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 29.10 2gt3 s PRO 16 CO 0.17 -2.93 0.00 0.41 0.04 0.00 0.00 177.00 174.69 2gt3 n GLY 17 N 6.27 -0.41 3.74 0.56 0.00 -1.26 -4.95 105.19 109.14 2gt3 n GLY 17 Ca 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 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 2.04 -0.58 1.61 3.00 -1.26 -5.07 118.95 118.70 2gt3 s ARG 18 Ca 0.00 -1.40 -0.11 0.00 0.00 0.00 0.00 55.73 54.22 2gt3 s ARG 18 Cb 0.00 0.58 0.15 0.00 0.00 0.00 0.00 34.95 35.68 2gt3 s ARG 18 CO 0.00 -0.93 0.48 -0.80 0.00 0.00 0.00 175.30 174.05 2gt3 s ASN 19 N -3.07 5.98 -0.30 0.23 0.01 -1.26 -4.16 114.94 112.38 2gt3 s ASN 19 Ca 0.18 -2.16 -0.04 0.00 -0.71 0.00 0.00 52.86 50.14 2gt3 s ASN 19 Cb -0.04 -2.08 0.10 0.00 0.41 0.00 0.00 41.25 39.64 2gt3 s ASN 19 CO 0.12 -0.67 0.13 0.28 -1.51 0.00 0.00 177.10 175.45 2gt3 s THR 20 N 1.00 0.01 0.23 1.60 -1.32 -1.26 -5.09 115.64 110.80 2gt3 s THR 20 Ca 0.09 -0.87 -0.30 0.00 -1.21 0.00 0.00 61.69 59.40 2gt3 s THR 20 Cb -0.23 -1.03 -0.09 0.00 -1.51 0.00 0.00 72.50 69.64 2gt3 s THR 20 CO -0.02 -0.75 1.10 -2.16 -2.21 0.00 0.00 174.62 170.58 2gt3 s PRO 21 N 1.99 4.62 0.48 7.08 0.04 -1.26 -4.92 135.00 143.04 2gt3 s PRO 21 Ca 0.10 1.76 -0.05 0.00 0.04 0.00 0.00 61.00 62.85 2gt3 s PRO 21 Cb -0.17 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 2gt3 s PRO 21 CO -0.33 0.15 0.78 -1.64 0.04 0.00 0.00 177.00 175.99 2gt3 s MET 22 N -0.87 3.47 0.44 4.56 -1.94 -1.26 -5.06 119.30 118.63 2gt3 s MET 22 Ca 0.47 0.13 -0.22 0.00 -1.71 0.00 0.00 55.69 54.36 2gt3 s MET 22 Cb -0.31 -2.39 -0.09 0.00 2.01 0.00 0.00 34.83 34.06 2gt3 s MET 22 CO 0.38 -0.23 1.05 -1.25 -0.01 0.00 0.00 175.02 174.95 2gt3 s PRO 23 N -4.73 4.01 -0.11 2.03 0.04 -1.26 -4.96 135.00 130.02 2gt3 s PRO 23 Ca 0.47 1.45 0.04 0.00 0.04 0.00 0.00 61.00 63.00 2gt3 s PRO 23 Cb -0.10 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.09 2gt3 s PRO 23 CO 0.44 -0.26 -0.23 0.08 0.04 0.00 0.00 177.00 177.07 2gt3 s VAL 24 N -1.79 2.02 0.70 -0.36 1.01 -1.26 -4.56 120.40 116.15 2gt3 s VAL 24 Ca 0.62 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 2gt3 s VAL 24 Cb -0.20 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.43 2gt3 s VAL 24 CO 0.24 0.55 1.13 0.00 0.00 0.00 0.00 175.10 177.02 2gt3 n ALA 25 N 3.68 0.35 0.02 5.51 0.00 -1.26 -4.93 120.51 123.88 2gt3 n ALA 25 Ca -0.19 -0.12 -0.19 0.00 0.00 0.00 0.00 53.44 52.93 2gt3 n ALA 25 Cb 0.53 -2.21 -0.10 0.00 0.00 0.00 0.00 19.45 17.66 2gt3 n ALA 25 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2gt3 h THR 26 N -0.00 1.30 -2.54 0.00 2.02 -1.99 -3.46 112.91 108.24 2gt3 h THR 26 Ca -0.49 -2.16 -0.51 0.00 0.77 0.00 0.00 66.41 64.03 2gt3 h THR 26 Cb 1.33 2.32 -0.14 0.00 -1.74 0.00 0.00 68.15 69.93 2gt3 h THR 26 CO 0.49 0.67 -0.63 -0.76 0.37 0.00 0.00 175.52 175.66 2gt3 s LEU 27 N -8.22 2.42 0.84 2.58 1.43 -1.26 -4.31 118.68 112.17 2gt3 s LEU 27 Ca -0.10 -1.31 -0.11 0.00 -1.03 0.00 0.00 54.13 51.57 2gt3 s LEU 27 Cb 0.07 -0.57 0.10 0.00 0.03 0.00 0.00 46.19 45.81 2gt3 s LEU 27 CO 0.91 -0.48 1.09 -2.28 0.23 0.00 0.00 176.35 175.82 2gt3 s HIS 28 N -3.08 2.57 -0.02 0.29 5.65 0.53 -4.81 115.29 116.42 2gt3 s HIS 28 Ca 0.34 1.22 -0.05 0.00 0.25 0.00 0.00 55.06 56.81 2gt3 s HIS 28 Cb 0.07 -3.14 -0.03 0.00 -1.18 0.00 0.00 32.58 28.31 2gt3 s HIS 28 CO 0.15 -2.07 0.40 0.00 -0.65 0.00 0.00 174.74 172.57 2gt3 h ALA 29 N -1.31 -0.37 0.00 1.58 0.00 -1.93 -2.75 119.26 114.48 2gt3 h ALA 29 Ca -0.48 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.25 2gt3 h ALA 29 Cb 1.27 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2gt3 h ALA 29 CO 0.57 -0.36 -0.77 0.28 0.00 0.00 0.00 179.25 178.97 2gt3 h VAL 30 N -0.50 1.08 -0.69 0.00 2.07 -1.95 -3.34 116.25 112.93 2gt3 h VAL 30 Ca -0.02 -2.10 0.10 0.00 0.82 0.00 0.00 66.70 65.50 2gt3 h VAL 30 Cb 0.15 2.34 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 2gt3 h VAL 30 CO 0.03 0.37 0.46 -1.13 0.02 0.00 0.00 177.57 177.32 2gt3 h ASN 31 N -1.00 0.49 0.00 0.57 -0.73 -1.90 -3.44 115.58 109.58 2gt3 h ASN 31 Ca -0.20 0.01 0.00 0.00 1.87 0.00 0.00 56.30 57.98 2gt3 h ASN 31 Cb 1.10 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.60 2gt3 h ASN 31 CO -0.12 0.29 0.00 0.61 -0.37 0.00 0.00 177.43 177.84 2gt3 n GLY 32 N -1.49 0.17 3.93 1.57 0.00 -1.03 -4.84 105.19 103.50 2gt3 n GLY 32 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.44 3.37 -0.05 1.61 3.76 -1.26 -4.05 115.29 117.23 2gt3 s HIS 33 Ca 0.00 -0.02 -0.30 0.00 -0.15 0.00 0.00 55.06 54.60 2gt3 s HIS 33 Cb 0.00 -1.55 -0.06 0.00 1.11 0.00 0.00 32.58 32.08 2gt3 s HIS 33 CO 0.00 0.47 1.78 -1.54 -0.85 0.00 0.00 174.74 174.60 2gt3 s SER 34 N -3.80 6.49 0.15 1.40 1.04 -1.26 0.20 113.70 117.91 2gt3 s SER 34 Ca 0.34 2.28 0.09 0.00 0.48 0.00 0.00 55.95 59.14 2gt3 s SER 34 Cb -0.09 -2.53 -0.15 0.00 0.10 0.00 0.00 66.02 63.35 2gt3 s SER 34 CO 0.28 -1.07 1.27 0.00 0.98 0.00 0.00 173.24 174.70 2gt3 h MET 35 N 10.33 0.00 -0.03 4.02 -0.00 -1.88 -3.32 114.93 124.06 2gt3 h MET 35 Ca -0.42 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.18 2gt3 h MET 35 Cb 1.20 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.80 2gt3 h MET 35 CO 0.96 0.84 -0.39 1.79 -0.00 0.00 0.00 176.91 180.10 2gt3 h THR 36 N 0.00 1.46 -3.10 -0.10 1.35 -1.89 -3.44 112.91 107.19 2gt3 h THR 36 Ca -0.03 -1.90 -0.53 0.00 -0.55 0.00 0.00 66.41 63.40 2gt3 h THR 36 Cb 1.69 2.54 0.07 0.00 -1.73 0.00 0.00 68.15 70.72 2gt3 h THR 36 CO 0.11 0.54 0.91 0.21 -0.25 0.00 0.00 175.52 177.04 2gt3 s ASN 37 N -6.48 6.43 -0.21 5.36 3.84 -1.25 -4.99 114.94 117.64 2gt3 s ASN 37 Ca -0.14 2.86 0.01 0.00 0.21 0.00 0.00 52.86 55.80 2gt3 s ASN 37 Cb 0.03 -2.62 0.05 0.00 -0.55 0.00 0.00 41.25 38.15 2gt3 s ASN 37 CO 0.78 -0.90 -0.11 -0.69 -2.79 0.00 0.00 177.10 173.39 2gt3 s VAL 38 N 0.44 1.77 0.41 -5.21 1.01 -1.26 -4.91 120.40 112.65 2gt3 s VAL 38 Ca 0.67 -1.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.27 2gt3 s VAL 38 Cb -0.47 -1.84 -0.09 0.00 0.00 0.00 0.00 36.38 33.98 2gt3 s VAL 38 CO 0.41 0.14 1.05 -2.16 0.00 0.00 0.00 175.10 174.55 2gt3 s PRO 39 N 1.33 4.11 0.05 2.72 0.04 -1.26 -4.92 135.00 137.07 2gt3 s PRO 39 Ca -0.02 1.50 -0.36 0.00 0.04 0.00 0.00 61.00 62.16 2gt3 s PRO 39 Cb -0.17 -2.49 -0.15 0.00 0.04 0.00 0.00 34.50 31.74 2gt3 s PRO 39 CO -0.08 -0.19 1.53 -0.25 0.04 0.00 0.00 177.00 178.05 2gt3 n ASP 40 N -0.19 2.42 0.00 6.66 9.92 -1.26 0.10 116.55 134.20 2gt3 n ASP 40 Ca 0.06 1.09 0.00 0.00 -0.53 0.00 0.00 54.79 55.40 2gt3 n ASP 40 Cb 0.50 -1.28 0.00 0.00 -0.64 0.00 0.00 41.12 39.70 2gt3 n ASP 40 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2gt3 n GLY 41 N 3.23 3.44 3.77 0.44 0.00 -1.26 -5.05 105.19 109.77 2gt3 n GLY 41 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2gt3 n GLY 41 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2gt3 s MET 42 N -0.93 4.64 0.30 1.61 0.00 0.11 -4.00 119.30 121.03 2gt3 s MET 42 Ca 0.00 1.36 0.05 0.00 0.00 0.00 0.00 55.69 57.10 2gt3 s MET 42 Cb 0.00 -2.90 -0.06 0.00 0.00 0.00 0.00 34.83 31.87 2gt3 s MET 42 CO 0.00 0.33 0.01 -1.21 0.00 0.00 0.00 175.02 174.14 2gt3 s GLU 43 N -1.87 1.58 0.20 4.11 2.02 0.37 -4.83 118.70 120.27 2gt3 s GLU 43 Ca 0.48 -1.84 0.10 0.00 0.02 0.00 0.00 54.97 53.74 2gt3 s GLU 43 Cb -0.20 -0.96 -0.04 0.00 0.10 0.00 0.00 34.13 33.03 2gt3 s GLU 43 CO 0.25 -0.09 -0.17 0.42 0.02 0.00 0.00 175.26 175.70 2gt3 s ILE 44 N -3.19 2.76 -0.07 -1.63 1.01 -1.26 -0.78 121.20 118.03 2gt3 s ILE 44 Ca 0.33 -1.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.03 2gt3 s ILE 44 Cb 0.07 -2.36 0.04 0.00 0.01 0.00 0.00 42.46 40.21 2gt3 s ILE 44 CO 0.13 -0.16 0.15 0.00 0.00 0.00 0.00 174.94 175.06 2gt3 s ALA 45 N -1.80 -0.19 -0.23 9.38 0.00 0.56 -4.67 121.76 124.81 2gt3 s ALA 45 Ca 0.24 0.60 -0.09 0.00 0.00 0.00 0.00 51.96 52.71 2gt3 s ALA 45 Cb -0.08 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 2gt3 s ALA 45 CO 0.13 -0.34 0.11 0.42 0.00 0.00 0.00 175.76 176.08 2gt3 s ILE 46 N 1.69 4.93 0.04 0.00 1.01 -1.07 0.15 121.20 127.95 2gt3 s ILE 46 Ca -0.03 0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.69 2gt3 s ILE 46 Cb -0.12 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.05 2gt3 s ILE 46 CO -0.06 0.37 -0.12 -0.36 0.00 0.00 0.00 174.94 174.77 2gt3 s PHE 47 N 1.05 1.08 -0.24 3.97 0.08 -0.64 -0.44 117.98 122.83 2gt3 s PHE 47 Ca 0.06 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.75 2gt3 s PHE 47 Cb -0.14 -0.64 0.06 0.00 -0.57 0.00 0.00 43.02 41.74 2gt3 s PHE 47 CO 0.04 0.02 -0.06 0.00 -0.10 0.00 0.00 175.22 175.11 2gt3 s ALA 48 N -0.94 2.07 -0.03 5.36 0.00 0.45 0.63 121.76 129.29 2gt3 s ALA 48 Ca -0.01 -1.43 0.05 0.00 0.00 0.00 0.00 51.96 50.57 2gt3 s ALA 48 Cb -0.08 -1.46 0.07 0.00 0.00 0.00 0.00 23.12 21.65 2gt3 s ALA 48 CO 0.01 -1.19 0.93 -0.12 0.00 0.00 0.00 175.76 175.39 2gt3 n MET 49 N 4.63 0.68 0.00 0.00 1.56 -1.23 -1.37 117.12 121.39 2gt3 n MET 49 Ca -0.12 -1.33 0.00 0.00 -0.27 0.00 0.00 57.70 55.98 2gt3 n MET 49 Cb 0.44 -0.80 0.00 0.00 2.15 0.00 0.00 33.22 35.01 2gt3 n MET 49 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2gt3 n GLY 50 N -0.41 1.16 3.29 -5.12 0.00 -1.23 -4.82 105.19 98.05 2gt3 n GLY 50 Ca 0.04 -0.85 -0.58 0.00 0.00 0.00 0.00 46.02 44.63 2gt3 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gt3 n PHE 52 N 7.96 0.00 0.24 0.00 1.16 -1.26 -2.63 117.46 122.93 2gt3 n PHE 52 Ca 0.53 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 56.00 2gt3 n PHE 52 Cb 0.01 -0.08 -0.05 0.00 -1.61 0.00 0.00 39.48 37.74 2gt3 n PHE 52 CO 0.00 0.00 0.00 -1.49 -1.87 0.00 0.00 176.76 173.40 2gt3 h TRP 53 N 0.84 -0.63 0.01 2.97 6.55 -1.90 -1.62 115.95 122.17 2gt3 h TRP 53 Ca 0.00 -0.01 -0.15 0.00 0.95 0.00 0.00 58.89 59.68 2gt3 h TRP 53 Cb 0.29 0.21 0.01 0.00 -0.86 0.00 0.00 29.16 28.81 2gt3 h TRP 53 CO 0.00 -0.39 -0.59 0.78 -1.05 0.00 0.00 178.44 177.20 2gt3 h GLY 54 N -1.18 0.43 0.24 1.49 0.00 -1.68 -1.79 103.07 100.58 2gt3 h GLY 54 Ca -0.07 -0.76 0.02 0.00 0.00 0.00 0.00 47.33 46.52 2gt3 h GLY 54 CO 0.11 0.68 -0.41 -2.08 0.00 0.00 0.00 176.54 174.84 2gt3 h VAL 55 N -0.16 0.17 -0.46 4.60 2.07 -1.65 1.47 116.25 122.29 2gt3 h VAL 55 Ca -0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2gt3 h VAL 55 Cb 1.31 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2gt3 h VAL 55 CO 0.11 0.00 0.20 -0.08 0.02 0.00 0.00 177.57 177.83 2gt3 h GLU 56 N -0.61 0.65 0.38 1.57 4.81 -1.40 0.13 114.58 120.12 2gt3 h GLU 56 Ca 0.03 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2gt3 h GLU 56 Cb 0.66 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2gt3 h GLU 56 CO -0.27 0.53 -0.18 -0.09 -0.73 0.00 0.00 179.01 178.26 2gt3 h ARG 57 N 0.65 -0.50 -0.39 1.92 1.12 -0.22 -0.61 114.38 116.36 2gt3 h ARG 57 Ca 0.16 0.03 0.03 0.00 -1.11 0.00 0.00 59.98 59.09 2gt3 h ARG 57 Cb 0.11 0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 30.16 2gt3 h ARG 57 CO -0.02 -0.19 0.26 1.25 -3.11 0.00 0.00 179.97 178.15 2gt3 h LEU 58 N -0.80 0.36 0.50 3.80 5.85 0.22 0.28 115.31 125.52 2gt3 h LEU 58 Ca -0.05 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 2gt3 h LEU 58 Cb 0.53 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2gt3 h LEU 58 CO 0.09 0.25 -0.24 -0.26 -0.34 0.00 0.00 178.44 177.93 2gt3 h PHE 59 N 0.41 -0.62 0.00 1.25 0.04 -0.53 -2.09 116.94 115.40 2gt3 h PHE 59 Ca 0.16 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.91 2gt3 h PHE 59 Cb 0.11 0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.47 2gt3 h PHE 59 CO -0.00 -0.32 0.00 -2.67 -0.60 0.00 0.00 178.31 174.72 2gt3 n TRP 60 N -5.31 0.81 1.82 -0.55 2.14 -0.26 -0.90 117.44 115.19 2gt3 n TRP 60 Ca -0.11 0.33 0.15 0.00 2.07 0.00 0.00 57.50 59.94 2gt3 n TRP 60 Cb 0.31 -1.04 0.81 0.00 -0.81 0.00 0.00 31.31 30.58 2gt3 n TRP 60 CO 0.00 0.00 0.00 1.04 2.07 0.00 0.00 177.69 180.80 2gt3 n GLN 61 N -2.25 1.21 -3.70 -2.67 1.13 0.95 -4.81 117.38 107.24 2gt3 n GLN 61 Ca 0.01 -0.32 -0.36 0.00 -1.94 0.00 0.00 57.00 54.40 2gt3 n GLN 61 Cb 0.20 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 29.00 2gt3 n GLN 61 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2gt3 s LEU 62 N -2.01 4.39 -0.42 1.08 1.43 -0.08 -5.01 118.68 118.06 2gt3 s LEU 62 Ca 0.44 0.66 -0.29 0.00 -1.03 0.00 0.00 54.13 53.92 2gt3 s LEU 62 Cb 0.22 -2.63 0.01 0.00 0.03 0.00 0.00 46.19 43.82 2gt3 s LEU 62 CO 0.36 0.27 1.41 -2.16 0.23 0.00 0.00 176.35 176.47 2gt3 s PRO 63 N -1.56 3.56 0.00 1.29 0.04 -1.26 -2.73 135.00 134.34 2gt3 s PRO 63 Ca 0.26 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2gt3 s PRO 63 Cb -0.14 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.37 2gt3 s PRO 63 CO 0.14 -1.58 0.00 0.41 0.04 0.00 0.00 177.00 176.01 2gt3 n GLY 64 N 5.09 0.83 3.64 0.56 0.00 -1.26 -4.64 105.19 109.41 2gt3 n GLY 64 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.87 5.03 -0.09 1.61 1.01 -1.11 -2.54 120.40 123.44 2gt3 s VAL 65 Ca 0.00 1.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.82 2gt3 s VAL 65 Cb 0.00 -3.91 -0.29 0.00 0.00 0.00 0.00 36.38 32.18 2gt3 s VAL 65 CO 0.00 0.09 0.84 0.22 0.00 0.00 0.00 175.10 176.24 2gt3 h TYR 66 N 7.70 0.30 -2.94 5.22 3.20 0.18 -3.48 116.97 127.15 2gt3 h TYR 66 Ca -0.30 -0.22 -0.00 0.00 3.14 0.00 0.00 58.73 61.35 2gt3 h TYR 66 Cb 1.14 -0.01 -0.12 0.00 1.54 0.00 0.00 36.73 39.28 2gt3 h TYR 66 CO 0.73 1.17 0.24 -1.12 -1.64 0.00 0.00 178.16 177.54 2gt3 s SER 67 N -6.64 -0.53 0.05 -2.11 0.01 -1.06 -4.87 113.70 98.55 2gt3 s SER 67 Ca -0.16 -0.04 -0.01 0.00 1.31 0.00 0.00 55.95 57.05 2gt3 s SER 67 Cb -0.01 0.59 -0.04 0.00 0.21 0.00 0.00 66.02 66.77 2gt3 s SER 67 CO 0.77 -0.96 -0.03 0.42 0.41 0.00 0.00 173.24 173.84 2gt3 s THR 68 N -3.71 0.22 0.01 1.44 -4.23 -1.26 -0.02 115.64 108.11 2gt3 s THR 68 Ca 0.02 -1.69 -0.17 0.00 -1.18 0.00 0.00 61.69 58.67 2gt3 s THR 68 Cb -0.01 -1.35 0.03 0.00 1.34 0.00 0.00 72.50 72.51 2gt3 s THR 68 CO -0.11 -0.92 0.38 0.00 -0.54 0.00 0.00 174.62 173.42 2gt3 s ALA 69 N -3.56 -0.93 0.07 3.99 0.00 0.17 -4.84 121.76 116.66 2gt3 s ALA 69 Ca 0.04 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.36 2gt3 s ALA 69 Cb 0.05 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 2gt3 s ALA 69 CO -0.09 -0.37 0.13 0.00 0.00 0.00 0.00 175.76 175.43 2gt3 s ALA 70 N -1.97 3.73 0.06 0.00 0.00 -1.26 0.19 121.76 122.51 2gt3 s ALA 70 Ca -0.09 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 50.84 2gt3 s ALA 70 Cb -0.02 -1.58 0.03 0.00 0.00 0.00 0.00 23.12 21.54 2gt3 s ALA 70 CO 0.01 0.78 0.41 0.41 0.00 0.00 0.00 175.76 177.37 2gt3 n GLY 71 N 0.40 0.95 3.22 0.00 0.00 -0.67 -0.06 105.19 109.04 2gt3 n GLY 71 Ca -0.07 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.72 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 -4.22 1.60 0.04 1.61 1.51 -0.96 -2.11 117.35 114.81 2gt3 s TYR 72 Ca 0.09 -0.39 -0.28 0.00 -1.01 0.00 0.00 57.07 55.49 2gt3 s TYR 72 Cb -0.01 -0.93 0.09 0.00 -0.11 0.00 0.00 41.96 41.01 2gt3 s TYR 72 CO 0.02 0.10 0.95 -0.08 -1.11 0.00 0.00 175.55 175.43 2gt3 s THR 73 N -0.94 0.00 0.00 -0.71 -1.32 -0.87 -2.56 115.64 109.24 2gt3 s THR 73 Ca 0.05 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.29 2gt3 s THR 73 Cb -0.09 -1.39 0.00 0.00 -1.51 0.00 0.00 72.50 69.51 2gt3 s THR 73 CO 0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 2gt3 n GLY 74 N -0.33 0.55 3.60 6.08 0.00 -1.26 0.13 105.19 113.97 2gt3 n GLY 74 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 2gt3 n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gt3 s GLY 75 N -1.45 2.13 -0.00 -0.02 0.00 -0.61 -4.30 107.32 103.07 2gt3 s GLY 75 Ca 0.00 -2.02 0.04 0.00 0.00 0.00 0.00 44.72 42.74 2gt3 s GLY 75 CO 0.00 -1.95 0.83 -1.82 0.00 0.00 0.00 173.10 170.15 2gt3 h TYR 76 N 1.88 0.21 -1.45 1.90 3.20 -1.76 -3.44 116.97 117.50 2gt3 h TYR 76 Ca -0.43 -0.15 -0.70 0.00 3.14 0.00 0.00 58.73 60.59 2gt3 h TYR 76 Cb 1.25 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.52 2gt3 h TYR 76 CO 0.73 1.21 1.11 2.41 -1.64 0.00 0.00 178.16 181.97 2gt3 n THR 77 N -3.29 0.32 -2.50 1.81 -1.04 -1.20 -4.89 114.28 103.48 2gt3 n THR 77 Ca -0.15 -0.12 -0.40 0.00 -2.04 0.00 0.00 64.05 61.34 2gt3 n THR 77 Cb 1.03 -1.44 -0.04 0.00 -1.82 0.00 0.00 70.33 68.05 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 4.53 4.65 -1.02 -2.82 0.04 -1.26 -3.81 135.00 135.30 2gt3 s PRO 78 Ca 1.01 1.76 -0.16 0.00 0.04 0.00 0.00 61.00 63.66 2gt3 s PRO 78 Cb -0.96 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 30.38 2gt3 s PRO 78 CO 0.58 0.20 0.70 0.09 0.04 0.00 0.00 177.00 178.62 2gt3 n ASN 79 N 1.49 -5.18 -4.81 6.66 5.03 -1.26 -4.10 115.26 113.10 2gt3 n ASN 79 Ca -0.00 -0.97 -0.33 0.00 0.87 0.00 0.00 54.58 54.15 2gt3 n ASN 79 Cb 0.45 -2.66 0.00 0.00 -1.02 0.00 0.00 39.78 36.56 2gt3 n ASN 79 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2gt3 s PRO 80 N -5.71 3.41 0.28 3.52 0.04 -1.25 -4.53 135.00 130.77 2gt3 s PRO 80 Ca 0.29 1.19 0.11 0.00 0.04 0.00 0.00 61.00 62.63 2gt3 s PRO 80 Cb -0.13 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 2gt3 s PRO 80 CO 0.89 -0.73 -0.14 0.99 0.04 0.00 0.00 177.00 178.04 2gt3 s THR 81 N -2.45 2.69 0.23 1.26 2.01 -1.26 -4.99 115.64 113.12 2gt3 s THR 81 Ca 0.63 -2.28 -0.07 0.00 0.31 0.00 0.00 61.69 60.28 2gt3 s THR 81 Cb -0.15 -2.45 0.18 0.00 0.01 0.00 0.00 72.50 70.09 2gt3 s THR 81 CO 0.35 -0.38 1.73 0.22 -0.69 0.00 0.00 174.62 175.85 2gt3 h TYR 82 N 2.16 0.40 -0.46 4.92 3.20 -1.98 0.39 116.97 125.60 2gt3 h TYR 82 Ca -0.41 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.53 2gt3 h TYR 82 Cb 1.26 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.41 2gt3 h TYR 82 CO 0.78 0.05 0.24 -0.09 -1.64 0.00 0.00 178.16 177.50 2gt3 h ARG 83 N 0.39 0.46 -0.07 1.82 1.12 -1.98 0.42 114.38 116.54 2gt3 h ARG 83 Ca 0.36 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 59.19 2gt3 h ARG 83 Cb 0.51 -0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 30.36 2gt3 h ARG 83 CO -0.37 0.31 0.02 0.93 -3.11 0.00 0.00 179.97 177.74 2gt3 h GLU 84 N 0.48 0.11 -0.74 0.20 5.08 -1.54 -2.59 114.58 115.58 2gt3 h GLU 84 Ca 0.20 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.59 2gt3 h GLU 84 Cb 0.09 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2gt3 h GLU 84 CO -0.13 0.30 0.49 0.28 -1.00 0.00 0.00 179.01 178.95 2gt3 h VAL 85 N -0.09 1.05 -0.32 3.13 2.07 0.09 0.27 116.25 122.45 2gt3 h VAL 85 Ca 0.02 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.30 2gt3 h VAL 85 Cb 0.24 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 2gt3 h VAL 85 CO 0.00 0.15 0.22 0.00 0.02 0.00 0.00 177.57 177.96 2gt3 h SER 87 N 0.25 0.08 0.00 0.00 0.87 -0.16 -3.48 113.55 111.12 2gt3 h SER 87 Ca 0.14 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2gt3 h SER 87 Cb 0.24 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2gt3 h SER 87 CO -0.03 0.50 0.00 0.61 -0.53 0.00 0.00 176.83 177.38 2gt3 n GLY 88 N 0.09 0.86 1.77 5.77 0.00 -0.59 -4.93 105.19 108.16 2gt3 n GLY 88 Ca -0.08 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.02 2gt3 n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gt3 n ASP 89 N 0.00 5.32 -0.08 1.61 8.00 -1.26 -4.11 116.55 126.03 2gt3 n ASP 89 Ca 0.00 -2.73 -0.10 0.00 0.71 0.00 0.00 54.79 52.67 2gt3 n ASP 89 Cb 0.00 -0.64 -0.10 0.00 -0.02 0.00 0.00 41.12 40.36 2gt3 n ASP 89 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2gt3 n THR 90 N 0.84 1.04 -0.35 -3.53 5.66 -1.26 -1.26 114.28 115.42 2gt3 n THR 90 Ca 0.27 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 2gt3 n THR 90 Cb 1.07 -0.92 0.00 0.00 -1.55 0.00 0.00 70.33 68.93 2gt3 n THR 90 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2gt3 n GLY 91 N 2.38 1.08 3.79 1.09 0.00 -1.26 -2.50 105.19 109.77 2gt3 n GLY 91 Ca -0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.90 3.79 0.46 1.61 3.76 -1.26 -1.58 115.29 119.18 2gt3 s HIS 92 Ca 0.00 1.62 0.05 0.00 -0.15 0.00 0.00 55.06 56.58 2gt3 s HIS 92 Cb 0.00 -2.77 -0.03 0.00 1.11 0.00 0.00 32.58 30.89 2gt3 s HIS 92 CO 0.00 0.39 0.18 0.00 -0.85 0.00 0.00 174.74 174.46 2gt3 s ALA 93 N -1.36 3.86 -0.36 -1.40 0.00 0.36 -4.61 121.76 118.25 2gt3 s ALA 93 Ca 0.41 -1.54 -0.26 0.00 0.00 0.00 0.00 51.96 50.57 2gt3 s ALA 93 Cb -0.20 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.61 2gt3 s ALA 93 CO 0.25 -0.19 0.94 -2.00 0.00 0.00 0.00 175.76 174.75 2gt3 s GLU 94 N -3.97 3.88 0.24 0.00 2.56 -0.11 -2.05 118.70 119.25 2gt3 s GLU 94 Ca 0.31 0.65 0.05 0.00 0.00 0.00 0.00 54.97 55.98 2gt3 s GLU 94 Cb 0.03 -3.79 -0.05 0.00 2.00 0.00 0.00 34.13 32.31 2gt3 s GLU 94 CO 0.17 -0.93 -0.05 0.00 -0.56 0.00 0.00 175.26 173.90 2gt3 s ALA 95 N 3.47 2.00 -0.04 6.30 0.00 -0.90 -3.48 121.76 129.12 2gt3 s ALA 95 Ca 0.39 -1.78 -0.02 0.00 0.00 0.00 0.00 51.96 50.55 2gt3 s ALA 95 Cb -0.12 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.27 2gt3 s ALA 95 CO 0.18 -0.13 0.08 0.08 0.00 0.00 0.00 175.76 175.97 2gt3 s VAL 96 N -3.20 -0.02 -0.08 0.00 1.01 0.20 -1.67 120.40 116.64 2gt3 s VAL 96 Ca 0.27 0.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.13 2gt3 s VAL 96 Cb 0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.24 2gt3 s VAL 96 CO 0.09 0.03 0.56 -0.60 0.00 0.00 0.00 175.10 175.18 2gt3 s ARG 97 N 0.48 4.36 -0.06 2.72 3.52 0.51 -1.62 118.95 128.85 2gt3 s ARG 97 Ca -0.04 0.63 0.03 0.00 -0.13 0.00 0.00 55.73 56.22 2gt3 s ARG 97 Cb -0.05 -3.42 0.00 0.00 -1.56 0.00 0.00 34.95 29.92 2gt3 s ARG 97 CO -0.02 0.17 -0.15 0.42 -0.81 0.00 0.00 175.30 174.91 2gt3 s ILE 98 N 0.53 1.33 -0.26 4.11 1.09 0.12 0.46 121.20 128.59 2gt3 s ILE 98 Ca 0.30 -0.62 -0.02 0.00 -1.10 0.00 0.00 60.65 59.22 2gt3 s ILE 98 Cb -0.16 -1.17 0.03 0.00 -1.06 0.00 0.00 42.46 40.09 2gt3 s ILE 98 CO 0.14 0.39 -0.05 -0.69 -0.10 0.00 0.00 174.94 174.63 2gt3 s VAL 99 N 0.37 2.92 0.19 2.92 1.01 0.97 0.21 120.40 128.99 2gt3 s VAL 99 Ca -0.10 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 60.84 2gt3 s VAL 99 Cb -0.14 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 2gt3 s VAL 99 CO 0.04 0.16 0.01 -0.72 0.00 0.00 0.00 175.10 174.59 2gt3 s TYR 100 N 1.32 1.28 -0.14 5.22 -0.85 0.04 0.19 117.35 124.42 2gt3 s TYR 100 Ca -0.00 -1.03 -0.06 0.00 -0.52 0.00 0.00 57.07 55.46 2gt3 s TYR 100 Cb -0.17 -0.73 -0.04 0.00 0.38 0.00 0.00 41.96 41.40 2gt3 s TYR 100 CO -0.04 -0.21 0.09 0.34 -1.52 0.00 0.00 175.55 174.21 2gt3 s ASP 101 N -3.20 5.89 0.16 -0.18 -1.08 -1.05 -0.48 116.67 116.73 2gt3 s ASP 101 Ca 0.26 0.26 0.24 0.00 -0.52 0.00 0.00 52.55 52.79 2gt3 s ASP 101 Cb 0.06 -1.90 0.91 0.00 -1.46 0.00 0.00 42.92 40.53 2gt3 s ASP 101 CO 0.05 0.31 1.73 -0.81 0.52 0.00 0.00 175.17 176.98 2gt3 n PRO 102 N 2.61 0.15 0.01 4.34 -0.04 -1.24 -0.28 135.00 140.55 2gt3 n PRO 102 Ca -0.18 0.25 0.12 0.00 -0.04 0.00 0.00 63.50 63.66 2gt3 n PRO 102 Cb 0.54 -1.73 0.33 0.00 -0.04 0.00 0.00 33.50 32.60 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 -2.01 0.40 -0.02 3.54 2.88 -1.26 -4.34 113.62 112.82 2gt3 n SER 103 Ca 0.04 -0.04 -0.06 0.00 -1.33 0.00 0.00 58.87 57.49 2gt3 n SER 103 Cb 0.31 0.06 -0.02 0.00 -0.75 0.00 0.00 64.21 63.81 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 -1.56 1.08 -4.43 2.46 0.31 -0.94 -5.07 118.33 110.19 2gt3 n VAL 104 Ca 0.06 0.17 -0.25 0.00 -0.01 0.00 0.00 64.34 64.31 2gt3 n VAL 104 Cb 0.35 -1.79 -0.09 0.00 -0.91 0.00 0.00 33.84 31.39 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 -2.28 2.55 0.21 2.52 2.07 0.62 -4.94 121.20 121.94 2gt3 s ILE 105 Ca -0.12 -2.14 0.11 0.00 -1.41 0.00 0.00 60.65 57.09 2gt3 s ILE 105 Cb 0.03 -2.64 -0.04 0.00 0.13 0.00 0.00 42.46 39.93 2gt3 s ILE 105 CO 0.16 -0.26 -0.17 -0.94 -1.91 0.00 0.00 174.94 171.82 2gt3 s SER 106 N -3.63 3.79 0.30 4.50 1.04 -1.26 -3.72 113.70 114.72 2gt3 s SER 106 Ca 0.33 -0.80 0.01 0.00 0.48 0.00 0.00 55.95 55.97 2gt3 s SER 106 Cb -0.01 -0.44 0.54 0.00 0.10 0.00 0.00 66.02 66.21 2gt3 s SER 106 CO 0.17 0.09 1.91 0.10 0.98 0.00 0.00 173.24 176.49 2gt3 h TYR 107 N 2.82 1.04 -0.90 5.02 -0.00 -1.95 -1.03 116.97 121.96 2gt3 h TYR 107 Ca -0.45 0.03 0.03 0.00 0.00 0.00 0.00 58.73 58.34 2gt3 h TYR 107 Cb 1.22 -0.34 -0.05 0.00 0.00 0.00 0.00 36.73 37.56 2gt3 h TYR 107 CO 0.70 0.53 0.58 1.49 -0.00 0.00 0.00 178.16 181.47 2gt3 h GLU 108 N 1.01 1.10 0.13 0.10 4.81 -1.95 -0.33 114.58 119.46 2gt3 h GLU 108 Ca 0.40 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2gt3 h GLU 108 Cb 0.23 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 2gt3 h GLU 108 CO -0.15 0.73 -0.08 1.96 -0.73 0.00 0.00 179.01 180.73 2gt3 h GLN 109 N 1.14 -0.20 -0.98 1.92 4.20 -1.61 0.94 115.11 120.52 2gt3 h GLN 109 Ca 0.36 0.01 0.07 0.00 0.06 0.00 0.00 58.65 59.15 2gt3 h GLN 109 Cb -0.00 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.76 2gt3 h GLN 109 CO -0.12 -0.13 0.63 -0.07 -0.67 0.00 0.00 178.83 178.47 2gt3 h LEU 110 N -0.21 1.00 -0.67 1.46 3.38 -1.06 0.72 115.31 119.92 2gt3 h LEU 110 Ca -0.01 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2gt3 h LEU 110 Cb 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2gt3 h LEU 110 CO 0.01 0.63 -0.55 -0.07 0.09 0.00 0.00 178.44 178.54 2gt3 h LEU 111 N 1.12 0.35 0.46 1.67 3.38 -0.43 -2.76 115.31 119.11 2gt3 h LEU 111 Ca 0.43 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 2gt3 h LEU 111 Cb 0.21 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2gt3 h LEU 111 CO -0.18 0.83 -0.27 -0.61 0.09 0.00 0.00 178.44 178.30 2gt3 h GLN 112 N 0.24 -0.67 -0.78 1.13 4.15 0.32 -2.00 115.11 117.50 2gt3 h GLN 112 Ca 0.00 0.05 0.11 0.00 0.77 0.00 0.00 58.65 59.58 2gt3 h GLN 112 Cb 1.05 0.15 -0.05 0.00 0.21 0.00 0.00 27.48 28.84 2gt3 h GLN 112 CO 0.09 -0.45 0.51 -0.24 -1.93 0.00 0.00 178.83 176.81 2gt3 h VAL 113 N -0.70 0.89 -0.25 2.39 3.04 -1.22 0.16 116.25 120.57 2gt3 h VAL 113 Ca -0.05 -0.21 0.05 0.00 -1.01 0.00 0.00 66.70 65.48 2gt3 h VAL 113 Cb 0.57 0.22 -0.08 0.00 -2.01 0.00 0.00 31.29 29.99 2gt3 h VAL 113 CO 0.06 0.11 -0.42 0.15 -1.01 0.00 0.00 177.57 176.47 2gt3 h PHE 114 N 0.62 -1.21 0.00 3.17 3.57 -1.06 1.52 116.94 123.55 2gt3 h PHE 114 Ca 0.37 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.91 2gt3 h PHE 114 Cb 0.58 0.56 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 2gt3 h PHE 114 CO -0.00 -0.46 -0.09 -1.49 -2.23 0.00 0.00 178.31 174.04 2gt3 h TRP 115 N -0.42 0.00 -0.10 0.41 6.55 -1.14 1.23 115.95 122.48 2gt3 h TRP 115 Ca 0.10 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.94 2gt3 h TRP 115 Cb 0.60 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.90 2gt3 h TRP 115 CO -0.54 0.09 0.00 -1.91 -1.05 0.00 0.00 178.44 175.03 2gt3 n GLU 116 N -3.16 1.48 0.00 0.49 2.13 0.86 -4.14 120.64 118.31 2gt3 n GLU 116 Ca 0.02 -0.73 0.00 0.00 0.66 0.00 0.00 57.16 57.11 2gt3 n GLU 116 Cb 0.45 -1.37 0.00 0.00 0.27 0.00 0.00 31.44 30.79 2gt3 n GLU 116 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2gt3 n ASN 117 N -0.06 0.41 -3.97 4.31 5.03 0.48 -4.95 115.26 116.52 2gt3 n ASN 117 Ca 0.16 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.50 2gt3 n ASN 117 Cb 0.25 0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 38.88 2gt3 n ASN 117 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 2gt3 s HIS 118 N -1.88 0.31 0.12 3.10 2.46 0.42 -4.30 115.29 115.51 2gt3 s HIS 118 Ca 0.00 -0.35 -0.20 0.00 0.47 0.00 0.00 55.06 54.98 2gt3 s HIS 118 Cb 0.00 -0.20 -0.07 0.00 -0.13 0.00 0.00 32.58 32.18 2gt3 s HIS 118 CO 0.00 -0.10 0.63 0.16 -2.47 0.00 0.00 174.74 172.95 2gt3 s ASP 119 N -0.99 7.10 0.00 9.88 1.47 -1.26 -3.26 116.67 129.60 2gt3 s ASP 119 Ca -0.09 1.34 0.22 0.00 1.18 0.00 0.00 52.55 55.19 2gt3 s ASP 119 Cb -0.07 -2.39 1.31 0.00 -0.34 0.00 0.00 42.92 41.43 2gt3 s ASP 119 CO -0.00 0.21 1.71 -0.81 0.68 0.00 0.00 175.17 176.95 2gt3 n PRO 120 N 1.44 0.75 -2.42 2.11 -0.04 -1.26 -3.06 135.00 132.53 2gt3 n PRO 120 Ca -0.08 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.12 2gt3 n PRO 120 Cb 0.50 -1.45 0.00 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 -0.95 5.00 0.66 0.55 0.00 -1.26 -0.65 120.51 123.85 2gt3 n ALA 121 Ca 0.16 -4.20 0.11 0.00 0.00 0.00 0.00 53.44 49.51 2gt3 n ALA 121 Cb 0.08 -0.52 0.27 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.50 2.22 -1.22 0.00 -0.06 -1.17 -4.85 117.38 111.79 2gt3 n GLN 122 Ca 0.39 -1.84 0.17 0.00 -2.00 0.00 0.00 57.00 53.71 2gt3 n GLN 122 Cb 0.71 -1.47 -0.04 0.00 -4.06 0.00 0.00 30.24 25.39 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 1.36 -1.88 2.81 1.69 0.00 -1.26 -3.77 105.19 104.14 2gt3 n GLY 123 Ca 0.18 -1.18 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 2gt3 n GLY 123 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2gt3 n MET 124 N -3.79 1.52 0.00 1.61 2.81 -1.26 -4.58 117.12 113.43 2gt3 n MET 124 Ca 0.01 -1.35 0.00 0.00 -1.81 0.00 0.00 57.70 54.55 2gt3 n MET 124 Cb 0.56 -2.47 0.00 0.00 -0.71 0.00 0.00 33.22 30.60 2gt3 n MET 124 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 2gt3 n ARG 125 N 5.05 0.00 -3.76 0.03 1.85 -0.24 -2.54 116.66 117.04 2gt3 n ARG 125 Ca 0.38 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 57.10 2gt3 n ARG 125 Cb 0.17 0.00 -0.10 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 0.00 177.63 178.76 2gt3 s GLN 126 N -2.00 0.45 5.68 2.89 1.03 -0.18 -4.66 119.66 122.87 2gt3 s GLN 126 Ca 0.00 0.29 0.00 0.00 0.04 0.00 0.00 55.36 55.69 2gt3 s GLN 126 Cb 0.00 0.21 0.00 0.00 0.03 0.00 0.00 33.01 33.25 2gt3 s GLN 126 CO 0.00 -0.08 0.00 0.41 -2.54 0.00 0.00 175.29 173.08 2gt3 n GLY 127 N 2.49 3.71 0.89 2.60 0.00 -1.26 -0.10 105.19 113.53 2gt3 n GLY 127 Ca -0.15 0.19 0.07 0.00 0.00 0.00 0.00 46.02 46.13 2gt3 n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2gt3 n ASN 128 N 6.74 3.61 -4.55 1.61 4.13 -1.26 -4.95 115.26 120.59 2gt3 n ASN 128 Ca 0.00 -2.49 -0.34 0.00 1.68 0.00 0.00 54.58 53.44 2gt3 n ASN 128 Cb 0.00 -0.41 -0.12 0.00 -1.54 0.00 0.00 39.78 37.71 2gt3 n ASN 128 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2gt3 s ASP 129 N -1.36 4.61 0.03 6.41 1.11 0.86 -5.12 116.67 123.21 2gt3 s ASP 129 Ca 0.35 -0.06 0.09 0.00 0.18 0.00 0.00 52.55 53.11 2gt3 s ASP 129 Cb 0.24 -1.27 -0.03 0.00 1.07 0.00 0.00 42.92 42.93 2gt3 s ASP 129 CO 0.14 0.32 -0.26 -1.38 1.18 0.00 0.00 175.17 175.17 2gt3 s HIS 130 N -0.57 2.31 0.00 4.23 -3.43 -1.26 -1.01 115.29 115.56 2gt3 s HIS 130 Ca 0.08 -0.42 0.00 0.00 -0.80 0.00 0.00 55.06 53.93 2gt3 s HIS 130 Cb -0.12 -1.40 0.00 0.00 -1.43 0.00 0.00 32.58 29.63 2gt3 s HIS 130 CO 0.02 0.09 0.00 0.41 -2.00 0.00 0.00 174.74 173.26 2gt3 n GLY 131 N 1.92 2.88 0.02 -1.38 0.00 -1.05 -4.91 105.19 102.67 2gt3 n GLY 131 Ca -0.17 -1.24 0.15 0.00 0.00 0.00 0.00 46.02 44.77 2gt3 n GLY 131 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gt3 n THR 132 N -1.35 0.00 -0.02 2.61 -2.24 -1.26 -2.91 114.28 109.12 2gt3 n THR 132 Ca 0.00 -0.01 -0.03 0.00 -2.27 0.00 0.00 64.05 61.74 2gt3 n THR 132 Cb 0.00 -0.45 -0.12 0.00 -2.10 0.00 0.00 70.33 67.66 2gt3 n THR 132 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2gt3 n GLN 133 N -0.94 0.64 -2.57 -0.78 7.27 -1.26 -4.42 117.38 115.32 2gt3 n GLN 133 Ca 0.23 0.14 -0.41 0.00 0.07 0.00 0.00 57.00 57.03 2gt3 n GLN 133 Cb 0.12 -1.70 0.01 0.00 2.41 0.00 0.00 30.24 31.08 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 -2.82 2.65 -4.22 3.69 4.01 -1.15 -0.93 117.16 118.39 2gt3 n TYR 134 Ca -0.16 -2.62 -0.11 0.00 -0.16 0.00 0.00 57.90 54.84 2gt3 n TYR 134 Cb 0.93 -1.36 -0.02 0.00 -0.31 0.00 0.00 39.34 38.58 2gt3 n TYR 134 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 2gt3 n ARG 135 N 0.68 1.54 -4.62 -0.72 1.85 -1.26 -1.08 116.66 113.04 2gt3 n ARG 135 Ca 0.46 -1.30 -0.33 0.00 -1.00 0.00 0.00 57.85 55.67 2gt3 n ARG 135 Cb 0.27 0.33 -0.13 0.00 -1.05 0.00 0.00 32.46 31.89 2gt3 n ARG 135 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2gt3 s SER 136 N -2.00 4.39 -0.22 2.89 0.01 -1.25 -3.56 113.70 113.97 2gt3 s SER 136 Ca 0.01 -0.21 -0.26 0.00 1.31 0.00 0.00 55.95 56.79 2gt3 s SER 136 Cb -0.00 -1.60 0.07 0.00 0.21 0.00 0.00 66.02 64.70 2gt3 s SER 136 CO 0.00 0.20 0.71 0.00 0.41 0.00 0.00 173.24 174.56 2gt3 s ALA 137 N 0.18 -1.77 -0.15 1.44 0.00 -0.47 -2.19 121.76 118.81 2gt3 s ALA 137 Ca -0.05 1.85 0.01 0.00 0.00 0.00 0.00 51.96 53.77 2gt3 s ALA 137 Cb -0.14 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.09 2gt3 s ALA 137 CO 0.04 -0.35 -0.18 0.42 0.00 0.00 0.00 175.76 175.69 2gt3 s ILE 138 N -0.01 2.43 -0.66 0.00 1.01 -0.54 -0.41 121.20 123.02 2gt3 s ILE 138 Ca -0.03 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.77 2gt3 s ILE 138 Cb -0.04 -2.00 0.16 0.00 0.01 0.00 0.00 42.46 40.59 2gt3 s ILE 138 CO 0.03 0.53 0.46 -0.31 0.00 0.00 0.00 174.94 175.65 2gt3 s TYR 139 N 0.77 3.45 0.84 3.97 2.02 0.41 -2.60 117.35 126.21 2gt3 s TYR 139 Ca -0.07 -3.01 -0.12 0.00 -0.37 0.00 0.00 57.07 53.51 2gt3 s TYR 139 Cb -0.16 -3.02 0.09 0.00 -0.40 0.00 0.00 41.96 38.48 2gt3 s TYR 139 CO -0.00 -0.74 1.11 -1.25 -1.57 0.00 0.00 175.55 173.10 2gt3 s PRO 140 N -0.60 1.75 -0.08 -1.71 0.04 -1.26 -2.58 135.00 130.56 2gt3 s PRO 140 Ca 0.20 0.51 0.06 0.00 0.04 0.00 0.00 61.00 61.81 2gt3 s PRO 140 Cb -0.17 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 2gt3 s PRO 140 CO -0.06 -1.83 0.00 1.28 0.04 0.00 0.00 177.00 176.43 2gt3 n LEU 141 N -3.55 0.68 -4.87 -3.56 4.77 -1.26 -2.04 117.00 107.17 2gt3 n LEU 141 Ca 0.07 -0.01 -0.21 0.00 -0.03 0.00 0.00 56.01 55.83 2gt3 n LEU 141 Cb 0.57 0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 2gt3 n LEU 141 CO 0.57 0.30 -0.07 0.42 -1.33 0.00 0.00 177.39 177.27 2gt3 s THR 142 N -2.19 3.83 0.15 -5.08 -4.23 -1.26 -4.96 115.64 101.90 2gt3 s THR 142 Ca -0.06 -1.31 0.13 0.00 -1.18 0.00 0.00 61.69 59.27 2gt3 s THR 142 Cb 0.03 -3.28 -0.01 0.00 1.34 0.00 0.00 72.50 70.58 2gt3 s THR 142 CO 0.30 -0.21 1.55 1.55 -0.54 0.00 0.00 174.62 177.27 2gt3 h PRO 143 N 1.24 0.00 -0.06 3.99 0.13 -2.00 -2.81 132.00 132.49 2gt3 h PRO 143 Ca -0.46 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.53 2gt3 h PRO 143 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2gt3 h PRO 143 CO 0.58 0.61 -0.60 0.93 -0.23 0.00 0.00 178.00 179.29 2gt3 h GLU 144 N 0.00 0.19 -0.19 0.86 5.08 -1.99 -2.30 114.58 116.23 2gt3 h GLU 144 Ca -0.01 -0.13 -0.19 0.00 -1.00 0.00 0.00 59.36 58.03 2gt3 h GLU 144 Cb 1.22 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2gt3 h GLU 144 CO 0.08 0.74 -0.65 0.37 -1.00 0.00 0.00 179.01 178.55 2gt3 h GLN 145 N 0.14 0.69 0.08 2.33 4.15 -1.95 -1.99 115.11 118.56 2gt3 h GLN 145 Ca -0.01 -0.49 -0.00 0.00 0.77 0.00 0.00 58.65 58.92 2gt3 h GLN 145 Cb 1.10 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.87 2gt3 h GLN 145 CO 0.09 1.11 -0.04 0.22 -1.93 0.00 0.00 178.83 178.28 2gt3 h ASP 146 N 0.50 -0.09 -0.78 -0.69 1.82 -1.39 1.14 116.42 116.93 2gt3 h ASP 146 Ca -0.01 -0.15 0.07 0.00 -0.39 0.00 0.00 57.03 56.55 2gt3 h ASP 146 Cb 1.24 0.02 -0.06 0.00 0.68 0.00 0.00 39.33 41.21 2gt3 h ASP 146 CO 0.13 0.09 0.45 0.00 -1.61 0.00 0.00 179.24 178.30 2gt3 h ALA 147 N 0.64 1.08 -0.22 -0.78 0.00 -1.43 0.50 119.26 119.04 2gt3 h ALA 147 Ca -0.01 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2gt3 h ALA 147 Cb 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2gt3 h ALA 147 CO 0.02 0.12 -0.47 0.00 0.00 0.00 0.00 179.25 178.92 2gt3 h ALA 148 N 1.41 0.76 0.35 0.00 0.00 -1.04 0.79 119.26 121.53 2gt3 h ALA 148 Ca 0.36 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2gt3 h ALA 148 Cb 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2gt3 h ALA 148 CO -0.21 0.67 -0.17 0.00 0.00 0.00 0.00 179.25 179.54 2gt3 h ALA 149 N 1.02 -0.47 -0.25 0.00 0.00 0.31 -2.39 119.26 117.48 2gt3 h ALA 149 Ca 0.03 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2gt3 h ALA 149 Cb 1.00 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2gt3 h ALA 149 CO 0.09 -0.71 -0.05 0.07 0.00 0.00 0.00 179.25 178.66 2gt3 h ARG 150 N -0.59 0.38 -0.94 0.00 0.11 -0.06 -2.09 114.38 111.20 2gt3 h ARG 150 Ca -0.05 -0.08 0.12 0.00 0.10 0.00 0.00 59.98 60.07 2gt3 h ARG 150 Cb 0.43 -0.06 -0.08 0.00 1.11 0.00 0.00 29.97 31.37 2gt3 h ARG 150 CO 0.08 0.45 0.57 0.00 0.10 0.00 0.00 179.97 181.16 2gt3 h ALA 151 N 1.59 1.39 -0.38 0.08 0.00 -0.50 0.59 119.26 122.04 2gt3 h ALA 151 Ca 0.08 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 2gt3 h ALA 151 Cb 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2gt3 h ALA 151 CO 0.01 0.16 -0.34 0.66 0.00 0.00 0.00 179.25 179.75 2gt3 h SER 152 N 0.90 0.95 -0.25 0.00 4.64 -0.89 0.59 113.55 119.49 2gt3 h SER 152 Ca 0.47 -0.46 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2gt3 h SER 152 Cb 0.47 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2gt3 h SER 152 CO -0.27 1.21 0.12 0.25 -0.87 0.00 0.00 176.83 177.27 2gt3 h LEU 153 N 0.70 0.33 -0.35 5.97 6.46 -0.70 1.45 115.31 129.16 2gt3 h LEU 153 Ca 0.06 -0.12 -0.15 0.00 -0.12 0.00 0.00 57.88 57.56 2gt3 h LEU 153 Cb 0.93 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 2gt3 h LEU 153 CO 0.09 0.35 -0.36 -0.08 -0.62 0.00 0.00 178.44 177.81 2gt3 h GLU 154 N 0.28 0.87 -0.17 1.25 4.57 0.16 -2.00 114.58 119.54 2gt3 h GLU 154 Ca 0.09 -0.46 -0.12 0.00 -1.18 0.00 0.00 59.36 57.69 2gt3 h GLU 154 Cb 0.11 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 2gt3 h GLU 154 CO -0.01 1.11 -0.40 0.00 -1.18 0.00 0.00 179.01 178.53 2gt3 h ARG 155 N 0.66 0.38 -0.50 1.92 3.08 0.43 -2.94 114.38 117.40 2gt3 h ARG 155 Ca 0.05 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 59.81 2gt3 h ARG 155 Cb 0.96 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 2gt3 h ARG 155 CO 0.09 0.72 -0.12 0.35 -1.07 0.00 0.00 179.97 179.93 2gt3 h PHE 156 N 0.32 1.06 -1.00 3.04 3.57 0.21 -0.99 116.94 123.15 2gt3 h PHE 156 Ca 0.03 -0.22 0.18 0.00 3.53 0.00 0.00 57.97 61.49 2gt3 h PHE 156 Cb 0.84 -0.26 -0.10 0.00 2.79 0.00 0.00 35.95 39.21 2gt3 h PHE 156 CO 0.02 1.01 0.62 0.37 -2.23 0.00 0.00 178.31 178.10 2gt3 h GLN 157 N 0.85 0.77 0.11 1.11 4.15 -1.18 0.74 115.11 121.67 2gt3 h GLN 157 Ca 0.13 -0.05 -0.27 0.00 0.77 0.00 0.00 58.65 59.23 2gt3 h GLN 157 Cb 0.67 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 2gt3 h GLN 157 CO 0.05 0.51 -1.25 0.00 -1.93 0.00 0.00 178.83 176.20 2gt3 h ALA 158 N 1.63 0.14 0.63 3.38 0.00 -1.53 -2.58 119.26 120.93 2gt3 h ALA 158 Ca 0.56 -0.92 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2gt3 h ALA 158 Cb 0.84 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.67 2gt3 h ALA 158 CO -0.36 1.02 -0.30 0.00 0.00 0.00 0.00 179.25 179.61 2gt3 h ALA 159 N 0.61 -0.85 -0.40 0.00 0.00 0.61 0.07 119.26 119.31 2gt3 h ALA 159 Ca -0.13 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2gt3 h ALA 159 Cb 1.96 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 20.06 2gt3 h ALA 159 CO 0.19 -0.95 0.26 0.00 0.00 0.00 0.00 179.25 178.75 2gt3 h MET 160 N -0.90 0.54 -0.68 0.00 -0.00 0.24 -1.43 114.93 112.70 2gt3 h MET 160 Ca -0.09 -0.04 -0.04 0.00 -0.00 0.00 0.00 59.70 59.54 2gt3 h MET 160 Cb 0.67 -0.12 -0.03 0.00 -0.00 0.00 0.00 31.60 32.12 2gt3 h MET 160 CO 0.14 0.37 0.27 -0.07 -0.00 0.00 0.00 176.91 177.62 2gt3 h LEU 161 N 0.55 0.94 -1.97 -0.10 4.07 -1.11 0.19 115.31 117.89 2gt3 h LEU 161 Ca 0.15 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.93 2gt3 h LEU 161 Cb -0.04 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.45 2gt3 h LEU 161 CO -0.03 0.86 0.00 0.00 -1.08 0.00 0.00 178.44 178.19 2gt3 h ALA 162 N 1.12 1.00 -0.13 1.53 0.00 0.09 0.10 119.26 122.97 2gt3 h ALA 162 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2gt3 h ALA 162 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2gt3 h ALA 162 CO -0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.23 2gt3 n ALA 163 N -2.07 2.54 -2.22 0.00 0.00 -0.24 -4.88 120.51 113.65 2gt3 n ALA 163 Ca -0.01 -0.45 -0.09 0.00 0.00 0.00 0.00 53.44 52.89 2gt3 n ALA 163 Cb 0.21 -1.13 -0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 0.11 -3.26 -4.18 0.00 2.03 0.35 -5.00 116.55 106.60 2gt3 n ASP 164 Ca 0.16 -0.02 -0.35 0.00 0.52 0.00 0.00 54.79 55.10 2gt3 n ASP 164 Cb 0.28 -2.50 -0.14 0.00 -0.72 0.00 0.00 41.12 38.04 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 -2.60 4.79 -0.11 1.67 -0.00 -0.11 -4.94 116.67 115.36 2gt3 s ASP 165 Ca 0.01 -1.19 0.08 0.00 -0.00 0.00 0.00 52.55 51.45 2gt3 s ASP 165 Cb -0.01 -1.71 0.42 0.00 -0.00 0.00 0.00 42.92 41.63 2gt3 s ASP 165 CO 0.01 -0.23 1.16 -0.90 -0.00 0.00 0.00 175.17 175.22 2gt3 n ASP 166 N 4.64 3.36 -4.52 0.27 5.75 -1.26 -3.50 116.55 121.29 2gt3 n ASP 166 Ca -0.14 -2.44 -0.40 0.00 -0.01 0.00 0.00 54.79 51.80 2gt3 n ASP 166 Cb 0.44 -0.57 0.03 0.00 -1.03 0.00 0.00 41.12 39.99 2gt3 n ASP 166 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2gt3 n ARG 167 N 0.35 0.77 -3.16 0.11 3.00 -1.26 -4.93 116.66 111.53 2gt3 n ARG 167 Ca 0.14 0.29 -0.39 0.00 -0.00 0.00 0.00 57.85 57.89 2gt3 n ARG 167 Cb 0.71 -1.79 -0.06 0.00 0.00 0.00 0.00 32.46 31.33 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 -1.52 3.84 -0.50 -0.14 5.65 -1.26 -5.00 115.29 116.36 2gt3 s HIS 168 Ca 0.67 1.41 -0.28 0.00 0.25 0.00 0.00 55.06 57.10 2gt3 s HIS 168 Cb -0.51 -2.60 0.01 0.00 -1.18 0.00 0.00 32.58 28.31 2gt3 s HIS 168 CO 0.55 0.56 1.37 0.42 -0.65 0.00 0.00 174.74 176.99 2gt3 s ILE 169 N -1.14 3.89 -0.24 0.89 1.01 -1.26 -4.64 121.20 119.72 2gt3 s ILE 169 Ca 0.32 0.84 0.22 0.00 0.00 0.00 0.00 60.65 62.04 2gt3 s ILE 169 Cb -0.21 -4.38 -0.10 0.00 0.01 0.00 0.00 42.46 37.78 2gt3 s ILE 169 CO 0.22 -1.00 0.90 1.07 0.00 0.00 0.00 174.94 176.12 2gt3 n THR 170 N 6.94 0.40 -1.69 2.92 5.66 -1.16 -4.94 114.28 122.41 2gt3 n THR 170 Ca 0.14 -0.49 -0.39 0.00 -3.05 0.00 0.00 64.05 60.26 2gt3 n THR 170 Cb 0.49 -0.18 0.04 0.00 -1.55 0.00 0.00 70.33 69.13 2gt3 n THR 170 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2gt3 n THR 171 N -2.47 3.54 -3.96 1.09 5.66 0.18 -4.75 114.28 113.57 2gt3 n THR 171 Ca -0.01 -0.50 -0.14 0.00 -3.05 0.00 0.00 64.05 60.36 2gt3 n THR 171 Cb 0.54 -1.44 -0.14 0.00 -1.55 0.00 0.00 70.33 67.73 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 -2.69 0.15 -0.12 1.09 -1.05 -0.93 -4.99 118.70 110.16 2gt3 s GLU 172 Ca 0.71 -0.04 0.02 0.00 -0.15 0.00 0.00 54.97 55.51 2gt3 s GLU 172 Cb -0.44 -0.18 -0.01 0.00 -0.44 0.00 0.00 34.13 33.07 2gt3 s GLU 172 CO 0.50 0.01 -0.18 0.42 0.95 0.00 0.00 175.26 176.96 2gt3 s ILE 173 N 0.10 2.54 0.07 1.83 1.01 -1.26 -1.47 121.20 124.03 2gt3 s ILE 173 Ca -0.01 -0.84 -0.13 0.00 0.00 0.00 0.00 60.65 59.67 2gt3 s ILE 173 Cb -0.02 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.44 2gt3 s ILE 173 CO -0.00 0.54 0.31 0.00 0.00 0.00 0.00 174.94 175.79 2gt3 s ALA 174 N 0.42 -0.67 0.48 9.38 0.00 -1.07 -4.99 121.76 125.31 2gt3 s ALA 174 Ca -0.13 -0.13 -0.21 0.00 0.00 0.00 0.00 51.96 51.49 2gt3 s ALA 174 Cb -0.17 0.45 -0.11 0.00 0.00 0.00 0.00 23.12 23.30 2gt3 s ALA 174 CO 0.06 -0.50 0.63 -1.71 0.00 0.00 0.00 175.76 174.25 2gt3 n ASN 175 N 0.23 -0.52 -4.67 0.00 2.85 -1.26 -3.99 115.26 107.90 2gt3 n ASN 175 Ca -0.17 0.86 -0.44 0.00 -0.11 0.00 0.00 54.58 54.72 2gt3 n ASN 175 Cb 0.61 -1.18 -0.04 0.00 1.24 0.00 0.00 39.78 40.41 2gt3 n ASN 175 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2gt3 n ALA 176 N -1.13 1.44 -2.42 5.20 0.00 -0.87 -4.85 120.51 117.89 2gt3 n ALA 176 Ca 0.11 0.24 -0.23 0.00 0.00 0.00 0.00 53.44 53.56 2gt3 n ALA 176 Cb 0.43 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.26 2gt3 n ALA 176 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2gt3 s THR 177 N 4.17 4.35 -0.96 0.00 -4.23 -1.26 -5.00 115.64 112.72 2gt3 s THR 177 Ca 0.89 -0.46 -0.24 0.00 -1.18 0.00 0.00 61.69 60.70 2gt3 s THR 177 Cb -0.51 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 69.73 2gt3 s THR 177 CO 0.44 -0.42 1.69 -2.16 -0.54 0.00 0.00 174.62 173.64 2gt3 s PRO 178 N -4.49 3.08 0.31 3.99 0.04 -1.26 -4.97 135.00 131.70 2gt3 s PRO 178 Ca 0.46 -0.70 -0.15 0.00 0.04 0.00 0.00 61.00 60.65 2gt3 s PRO 178 Cb -0.10 -5.20 -0.09 0.00 0.04 0.00 0.00 34.50 29.15 2gt3 s PRO 178 CO 0.38 -2.78 0.73 -0.59 0.04 0.00 0.00 177.00 174.78 2gt3 s PHE 179 N 7.48 3.40 -0.13 0.56 -0.71 -1.26 -4.90 117.98 122.42 2gt3 s PHE 179 Ca 0.58 1.23 -0.04 0.00 -1.04 0.00 0.00 56.93 57.66 2gt3 s PHE 179 Cb -0.03 -2.54 -0.03 0.00 -1.21 0.00 0.00 43.02 39.20 2gt3 s PHE 179 CO -0.05 0.12 0.00 0.71 -1.34 0.00 0.00 175.22 174.67 2gt3 s TYR 180 N -1.93 3.14 0.39 3.49 2.02 -1.06 -4.90 117.35 118.50 2gt3 s TYR 180 Ca 0.53 0.02 -0.27 0.00 -0.37 0.00 0.00 57.07 56.98 2gt3 s TYR 180 Cb -0.11 -1.91 -0.09 0.00 -0.40 0.00 0.00 41.96 39.45 2gt3 s TYR 180 CO 0.18 0.25 1.32 0.71 -1.57 0.00 0.00 175.55 176.43 2gt3 s TYR 181 N -0.22 2.84 0.61 2.71 2.02 -1.26 -2.26 117.35 121.79 2gt3 s TYR 181 Ca 0.06 1.39 -0.04 0.00 -0.37 0.00 0.00 57.07 58.11 2gt3 s TYR 181 Cb -0.12 -3.70 0.03 0.00 -0.40 0.00 0.00 41.96 37.77 2gt3 s TYR 181 CO 0.02 -2.11 0.89 0.00 -1.57 0.00 0.00 175.55 172.77 2gt3 s ALA 182 N -1.23 3.44 1.06 3.71 0.00 0.92 -4.56 121.76 125.09 2gt3 s ALA 182 Ca 0.55 -0.96 -0.16 0.00 0.00 0.00 0.00 51.96 51.39 2gt3 s ALA 182 Cb -0.39 -2.43 0.09 0.00 0.00 0.00 0.00 23.12 20.39 2gt3 s ALA 182 CO 0.51 -0.92 0.24 -1.91 0.00 0.00 0.00 175.76 173.67 2gt3 n GLU 183 N -2.60 -1.14 -0.04 0.00 2.13 -1.26 -4.54 120.64 113.19 2gt3 n GLU 183 Ca 0.06 -0.31 -0.06 0.00 0.66 0.00 0.00 57.16 57.52 2gt3 n GLU 183 Cb 0.59 -1.80 0.14 0.00 0.27 0.00 0.00 31.44 30.64 2gt3 n GLU 183 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 2gt3 h ASP 184 N -1.92 0.65 -0.53 4.31 3.04 -1.89 0.21 116.42 120.29 2gt3 h ASP 184 Ca -0.50 -0.23 0.14 0.00 -3.24 0.00 0.00 57.03 53.20 2gt3 h ASP 184 Cb 1.33 -0.18 -0.02 0.00 -1.04 0.00 0.00 39.33 39.42 2gt3 h ASP 184 CO 0.38 0.87 0.37 0.44 -2.04 0.00 0.00 179.24 179.26 2gt3 h ASP 185 N 0.56 0.07 0.11 4.15 5.19 -1.98 -1.36 116.42 123.16 2gt3 h ASP 185 Ca 0.08 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.12 2gt3 h ASP 185 Cb 0.71 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.18 2gt3 h ASP 185 CO 0.05 0.04 -2.07 1.41 -3.12 0.00 0.00 179.24 175.55 2gt3 n HIS 186 N -4.40 1.08 -1.67 4.55 8.25 -0.83 -4.51 115.22 117.69 2gt3 n HIS 186 Ca 0.09 0.23 -0.47 0.00 -0.26 0.00 0.00 57.72 57.31 2gt3 n HIS 186 Cb 0.55 -1.14 -0.04 0.00 1.12 0.00 0.00 29.99 30.48 2gt3 n HIS 186 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2gt3 n GLN 187 N -3.45 2.30 -3.71 -0.41 -0.06 0.68 -1.55 117.38 111.18 2gt3 n GLN 187 Ca -0.34 0.83 -0.22 0.00 -2.00 0.00 0.00 57.00 55.27 2gt3 n GLN 187 Cb 1.04 -2.75 0.03 0.00 -4.06 0.00 0.00 30.24 24.49 2gt3 n GLN 187 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 2gt3 n GLN 188 N 7.03 -4.60 0.06 3.69 6.02 -1.26 -4.86 117.38 123.46 2gt3 n GLN 188 Ca 0.23 0.60 -0.13 0.00 -0.01 0.00 0.00 57.00 57.69 2gt3 n GLN 188 Cb 0.33 -5.10 -0.08 0.00 1.02 0.00 0.00 30.24 26.40 2gt3 n GLN 188 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 2gt3 h TYR 189 N -1.85 -0.12 -0.89 1.08 5.03 -1.51 -2.41 116.97 116.30 2gt3 h TYR 189 Ca -0.61 -0.00 0.26 0.00 2.58 0.00 0.00 58.73 60.95 2gt3 h TYR 189 Cb 1.36 0.04 -0.04 0.00 1.55 0.00 0.00 36.73 39.64 2gt3 h TYR 189 CO 0.46 0.16 0.74 1.25 -1.32 0.00 0.00 178.16 179.44 2gt3 h LEU 190 N -0.39 0.00 -0.46 2.82 7.12 -1.75 1.57 115.31 124.22 2gt3 h LEU 190 Ca -0.01 0.00 -0.17 0.00 0.13 0.00 0.00 57.88 57.83 2gt3 h LEU 190 Cb 0.32 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.45 2gt3 h LEU 190 CO 0.02 0.00 -0.56 -0.74 -0.13 0.00 0.00 178.44 177.03 2gt3 h HIS 191 N 0.00 0.78 0.10 1.25 -0.00 -1.77 -3.10 115.15 112.41 2gt3 h HIS 191 Ca 0.42 -0.28 -0.27 0.00 -0.00 0.00 0.00 60.37 60.24 2gt3 h HIS 191 Cb 1.89 -0.15 0.01 0.00 -0.00 0.00 0.00 27.41 29.16 2gt3 h HIS 191 CO 0.00 1.04 -1.17 -0.22 -0.00 0.00 0.00 177.93 177.58 2gt3 h LYS 192 N 0.47 0.39 -4.72 5.26 3.64 0.21 -3.41 116.57 118.42 2gt3 h LYS 192 Ca 0.01 -0.55 -0.66 0.00 -1.27 0.00 0.00 60.65 58.17 2gt3 h LYS 192 Cb 1.12 0.19 -0.39 0.00 -0.41 0.00 0.00 32.23 32.74 2gt3 h LYS 192 CO 0.11 1.22 -0.73 -0.80 -2.27 0.00 0.00 179.45 176.98 2gt3 s ASN 193 N -7.21 4.72 0.40 4.20 0.01 0.18 -4.94 114.94 112.30 2gt3 s ASN 193 Ca -0.06 -2.00 0.27 0.00 -0.71 0.00 0.00 52.86 50.36 2gt3 s ASN 193 Cb 0.07 -1.62 0.89 0.00 0.41 0.00 0.00 41.25 41.00 2gt3 s ASN 193 CO 0.89 -0.35 1.78 1.55 -1.51 0.00 0.00 177.10 179.47 2gt3 h PRO 194 N 7.65 0.00 -0.51 -0.60 0.13 -1.78 -2.81 132.00 134.07 2gt3 h PRO 194 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2gt3 h PRO 194 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2gt3 h PRO 194 CO 0.51 0.00 0.00 2.48 -0.23 0.00 0.00 178.00 180.76 2gt3 n TYR 195 N -2.77 1.76 -1.05 1.56 4.11 -1.26 -4.97 117.16 114.54 2gt3 n TYR 195 Ca 0.03 -0.75 0.00 0.00 -0.00 0.00 0.00 57.90 57.18 2gt3 n TYR 195 Cb 0.38 -0.44 0.00 0.00 -0.00 0.00 0.00 39.34 39.28 2gt3 n TYR 195 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2gt3 n GLY 196 N 0.43 -1.04 3.66 -7.48 0.00 -1.06 -4.95 105.19 94.75 2gt3 n GLY 196 Ca 0.26 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.93 1.88 0.00 1.61 2.02 -1.26 -4.80 117.35 115.87 2gt3 s TYR 197 Ca 0.00 0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.80 2gt3 s TYR 197 Cb 0.00 -3.97 0.00 0.00 -0.40 0.00 0.00 41.96 37.59 2gt3 s TYR 197 CO 0.00 -4.11 0.00 0.00 -1.57 0.00 0.00 175.55 169.87 2gt3 n GLY 199 N 2.86 -0.42 0.17 0.00 0.00 -1.26 -4.75 105.19 101.78 2gt3 n GLY 199 Ca 0.00 0.87 -0.14 0.00 0.00 0.00 0.00 46.02 46.75 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 7.78 0.78 0.00 -0.61 6.09 -1.94 -3.47 117.51 126.14 2gt3 h ILE 200 Ca -0.05 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.28 2gt3 h ILE 200 Cb 1.27 0.87 0.00 0.00 0.47 0.00 0.00 36.82 39.43 2gt3 h ILE 200 CO 1.40 0.04 0.00 0.61 -3.07 0.00 0.00 178.15 177.13 2gt3 n GLY 201 N -1.01 -0.37 3.27 8.18 0.00 -1.26 -4.38 105.19 109.63 2gt3 n GLY 201 Ca -0.10 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 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 1.78 0.31 -0.02 0.00 -1.26 -5.06 107.32 103.07 2gt3 s GLY 202 Ca 0.00 -1.60 0.03 0.00 0.00 0.00 0.00 44.72 43.15 2gt3 s GLY 202 CO 0.00 0.68 0.07 -0.26 0.00 0.00 0.00 173.10 173.59 2gt3 s ILE 203 N 1.41 1.00 0.00 0.90 -5.25 -1.26 -4.74 121.20 113.26 2gt3 s ILE 203 Ca -0.00 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 57.66 2gt3 s ILE 203 Cb -0.18 -2.75 0.00 0.00 2.95 0.00 0.00 42.46 42.48 2gt3 s ILE 203 CO 0.01 0.00 0.00 0.61 -1.79 0.00 0.00 174.94 173.77 2gt3 n GLY 204 N -0.62 0.59 2.88 6.27 0.00 -1.26 -5.09 105.19 107.95 2gt3 n GLY 204 Ca -0.02 -0.28 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 0.40 0.48 1.61 1.01 -1.26 -5.13 120.40 117.51 2gt3 s VAL 205 Ca 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 61.97 2gt3 s VAL 205 Cb 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 2gt3 s VAL 205 CO 0.00 0.18 0.24 0.00 0.00 0.00 0.00 175.10 175.53 2gt3 s LEU 207 N -4.05 1.19 0.95 0.00 2.34 -1.26 -4.58 118.68 113.26 2gt3 s LEU 207 Ca 0.33 0.03 -0.14 0.00 0.06 0.00 0.00 54.13 54.41 2gt3 s LEU 207 Cb 0.01 -0.07 0.16 0.00 -0.56 0.00 0.00 46.19 45.73 2gt3 s LEU 207 CO 0.19 -0.11 1.16 -2.16 -1.06 0.00 0.00 176.35 174.36 2gt3 s PRO 208 N 0.95 0.79 -0.94 1.48 0.04 -1.26 -4.92 135.00 131.13 2gt3 s PRO 208 Ca -0.08 0.15 -0.24 0.00 0.04 0.00 0.00 61.00 60.87 2gt3 s PRO 208 Cb -0.11 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2gt3 s PRO 208 CO -0.03 -2.41 1.68 -1.25 0.04 0.00 0.00 177.00 175.04 2gt3 s PRO 209 N -5.38 3.08 -0.32 0.56 0.04 -1.26 -4.92 135.00 126.80 2gt3 s PRO 209 Ca 0.66 -0.66 -0.36 0.00 0.04 0.00 0.00 61.00 60.68 2gt3 s PRO 209 Cb -0.13 -5.15 -0.12 0.00 0.04 0.00 0.00 34.50 29.14 2gt3 s PRO 209 CO 0.54 -2.75 2.10 -1.91 0.04 0.00 0.00 177.00 175.02 2gt3 n GLU 210 N 8.90 1.15 0.00 4.56 4.07 -1.26 -5.32 120.64 132.75 2gt3 n GLU 210 Ca 0.35 0.35 0.06 0.00 -0.06 0.00 0.00 57.16 57.85 2gt3 n GLU 210 Cb 0.49 -2.40 0.34 0.00 -0.06 0.00 0.00 31.44 29.81 2gt3 n GLU 210 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07