#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ftg s PRO 2 N 0.00 2.92 -0.00 1.61 0.04 -1.26 -4.07 135.00 134.23 3ftg s PRO 2 Ca 0.00 0.29 -0.04 0.00 0.04 0.00 0.00 61.00 61.29 3ftg s PRO 2 Cb 0.00 -2.12 -0.00 0.00 0.04 0.00 0.00 34.50 32.41 3ftg s PRO 2 CO 0.00 -0.88 0.07 -1.01 0.04 0.00 0.00 177.00 175.22 3ftg s HIS 3 N -3.21 0.06 0.08 0.56 3.76 0.80 -4.95 115.29 112.40 3ftg s HIS 3 Ca 0.56 -0.13 -0.07 0.00 -0.15 0.00 0.00 55.06 55.27 3ftg s HIS 3 Cb -0.11 -0.06 -0.01 0.00 1.11 0.00 0.00 32.58 33.51 3ftg s HIS 3 CO 0.49 -0.19 0.15 -1.54 -0.85 0.00 0.00 174.74 172.80 3ftg s SER 4 N -0.97 0.20 -0.00 1.40 1.04 -1.26 0.13 113.70 114.24 3ftg s SER 4 Ca -0.11 -0.73 0.03 0.00 0.48 0.00 0.00 55.95 55.62 3ftg s SER 4 Cb -0.06 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.36 3ftg s SER 4 CO 0.00 -0.70 -0.09 -0.32 0.98 0.00 0.00 173.24 173.11 3ftg s MET 5 N -3.87 0.68 -0.06 4.02 1.75 -0.84 0.14 119.30 121.12 3ftg s MET 5 Ca 0.06 -0.35 -0.06 0.00 -1.25 0.00 0.00 55.69 54.09 3ftg s MET 5 Cb 0.05 -0.65 0.02 0.00 2.84 0.00 0.00 34.83 37.09 3ftg s MET 5 CO -0.11 0.18 0.16 1.03 -0.65 0.00 0.00 175.02 175.63 3ftg s ARG 6 N -0.32 0.19 -0.14 4.11 1.81 0.33 -1.58 118.95 123.35 3ftg s ARG 6 Ca 0.02 0.21 -0.03 0.00 -1.72 0.00 0.00 55.73 54.22 3ftg s ARG 6 Cb -0.04 0.09 -0.03 0.00 -0.45 0.00 0.00 34.95 34.53 3ftg s ARG 6 CO -0.00 -0.02 -0.04 0.71 -0.68 0.00 0.00 175.30 175.27 3ftg s TYR 7 N 0.06 3.02 -0.26 -0.53 1.51 -0.80 0.28 117.35 120.63 3ftg s TYR 7 Ca -0.00 -0.25 -0.05 0.00 -1.01 0.00 0.00 57.07 55.75 3ftg s TYR 7 Cb -0.01 -1.93 0.00 0.00 -0.11 0.00 0.00 41.96 39.91 3ftg s TYR 7 CO 0.00 0.02 0.02 -0.06 -1.11 0.00 0.00 175.55 174.42 3ftg s PHE 8 N 0.21 3.08 -0.10 2.71 0.08 -0.24 -2.97 117.98 120.75 3ftg s PHE 8 Ca -0.02 -0.99 0.04 0.00 0.12 0.00 0.00 56.93 56.07 3ftg s PHE 8 Cb -0.14 -2.18 0.00 0.00 -0.57 0.00 0.00 43.02 40.13 3ftg s PHE 8 CO 0.03 -0.57 -0.22 -1.21 -0.10 0.00 0.00 175.22 173.15 3ftg s GLU 9 N 1.48 2.86 -0.09 0.44 2.02 -0.80 -1.12 118.70 123.48 3ftg s GLU 9 Ca 0.03 -0.81 0.04 0.00 0.02 0.00 0.00 54.97 54.25 3ftg s GLU 9 Cb -0.16 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 31.88 3ftg s GLU 9 CO -0.00 0.13 -0.21 0.99 0.02 0.00 0.00 175.26 176.19 3ftg s THR 10 N 0.45 1.84 -0.10 3.63 2.01 0.24 -0.93 115.64 122.77 3ftg s THR 10 Ca -0.17 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 60.98 3ftg s THR 10 Cb -0.17 -1.60 -0.00 0.00 0.01 0.00 0.00 72.50 70.74 3ftg s THR 10 CO 0.07 0.51 -0.23 0.00 -0.69 0.00 0.00 174.62 174.28 3ftg s ALA 11 N 0.42 2.21 -0.19 7.40 0.00 -0.14 -1.28 121.76 130.18 3ftg s ALA 11 Ca -0.18 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 50.82 3ftg s ALA 11 Cb -0.17 -0.85 0.03 0.00 0.00 0.00 0.00 23.12 22.13 3ftg s ALA 11 CO 0.08 0.27 -0.16 0.14 0.00 0.00 0.00 175.76 176.09 3ftg s VAL 12 N 0.37 1.88 0.53 0.00 -7.23 -0.47 -1.28 120.40 114.21 3ftg s VAL 12 Ca -0.18 -0.96 -0.16 0.00 -1.81 0.00 0.00 61.98 58.87 3ftg s VAL 12 Cb -0.18 -1.79 -0.07 0.00 0.56 0.00 0.00 36.38 34.90 3ftg s VAL 12 CO 0.08 0.38 1.00 -0.94 -0.31 0.00 0.00 175.10 175.32 3ftg s SER 13 N 1.33 6.48 -0.03 4.85 1.04 -0.35 -2.37 113.70 124.65 3ftg s SER 13 Ca 0.02 1.59 -0.03 0.00 0.48 0.00 0.00 55.95 58.02 3ftg s SER 13 Cb -0.14 -2.51 0.01 0.00 0.10 0.00 0.00 66.02 63.48 3ftg s SER 13 CO -0.11 -0.69 0.08 0.00 0.98 0.00 0.00 173.24 173.51 3ftg s ARG 14 N -4.16 0.08 -0.12 4.02 1.70 -1.26 -3.86 118.95 115.35 3ftg s ARG 14 Ca 0.59 0.15 -0.29 0.00 -0.47 0.00 0.00 55.73 55.71 3ftg s ARG 14 Cb -0.11 -0.01 -0.07 0.00 -0.57 0.00 0.00 34.95 34.20 3ftg s ARG 14 CO 0.34 -0.04 2.12 -0.35 -1.08 0.00 0.00 175.30 176.29 3ftg n PRO 15 N 3.27 2.29 0.00 3.89 -0.04 -1.26 -3.23 135.00 139.92 3ftg n PRO 15 Ca -0.15 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 3ftg n PRO 15 Cb 0.58 -3.12 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 3ftg n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ftg n GLY 16 N 5.30 2.86 3.72 0.55 0.00 -1.26 -5.05 105.19 111.30 3ftg n GLY 16 Ca 0.26 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 3ftg n GLY 16 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ftg s LEU 17 N 0.00 4.38 0.00 0.99 2.96 -1.20 -4.91 118.68 120.90 3ftg s LEU 17 Ca 0.00 2.05 0.27 0.00 -0.22 0.00 0.00 54.13 56.22 3ftg s LEU 17 Cb 0.00 -3.58 0.83 0.00 0.50 0.00 0.00 46.19 43.94 3ftg s LEU 17 CO 0.00 -0.47 1.63 1.21 -1.32 0.00 0.00 176.35 177.40 3ftg n GLU 18 N 3.81 0.20 -4.85 1.98 4.07 -1.26 -4.54 120.64 120.04 3ftg n GLU 18 Ca 0.09 -0.09 -0.33 0.00 -0.06 0.00 0.00 57.16 56.77 3ftg n GLU 18 Cb 0.46 -1.50 -0.15 0.00 -0.06 0.00 0.00 31.44 30.19 3ftg n GLU 18 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 3ftg s GLU 19 N -2.86 3.33 0.63 5.31 2.56 -1.26 -5.11 118.70 121.30 3ftg s GLU 19 Ca 0.16 -0.72 -0.14 0.00 0.00 0.00 0.00 54.97 54.28 3ftg s GLU 19 Cb 0.18 -2.58 -0.02 0.00 2.00 0.00 0.00 34.13 33.72 3ftg s GLU 19 CO 0.60 0.21 1.05 -2.14 -0.56 0.00 0.00 175.26 174.42 3ftg s PRO 20 N 0.35 3.23 0.23 4.30 0.02 -1.26 -4.81 135.00 137.05 3ftg s PRO 20 Ca -0.12 1.06 -0.30 0.00 0.02 0.00 0.00 61.00 61.66 3ftg s PRO 20 Cb -0.16 -2.03 -0.09 0.00 0.02 0.00 0.00 34.50 32.24 3ftg s PRO 20 CO 0.06 -0.87 1.25 0.50 -0.33 0.00 0.00 177.00 177.61 3ftg s ARG 21 N -4.52 4.45 -0.08 5.54 6.06 -1.00 -4.89 118.95 124.52 3ftg s ARG 21 Ca 0.60 2.00 -0.00 0.00 -2.50 0.00 0.00 55.73 55.83 3ftg s ARG 21 Cb -0.14 -3.18 0.03 0.00 0.06 0.00 0.00 34.95 31.71 3ftg s ARG 21 CO 0.45 -0.13 -0.03 -0.47 -2.50 0.00 0.00 175.30 172.61 3ftg s TYR 22 N -0.35 0.93 -0.07 5.12 5.04 -1.26 -1.37 117.35 125.39 3ftg s TYR 22 Ca 0.52 -0.34 0.04 0.00 -2.44 0.00 0.00 57.07 54.85 3ftg s TYR 22 Cb -0.35 -0.90 0.00 0.00 0.35 0.00 0.00 41.96 41.06 3ftg s TYR 22 CO 0.41 -0.35 -0.19 0.42 -1.34 0.00 0.00 175.55 174.50 3ftg s ILE 23 N 1.64 1.65 -0.01 3.14 -1.09 -0.40 -1.03 121.20 125.09 3ftg s ILE 23 Ca 0.01 -0.80 0.07 0.00 -2.23 0.00 0.00 60.65 57.71 3ftg s ILE 23 Cb -0.13 -1.44 -0.02 0.00 -1.58 0.00 0.00 42.46 39.30 3ftg s ILE 23 CO -0.05 0.47 -0.24 -0.55 -1.23 0.00 0.00 174.94 173.35 3ftg s SER 24 N 0.33 2.77 -0.12 3.58 0.15 -0.97 -0.59 113.70 118.86 3ftg s SER 24 Ca -0.13 -0.43 -0.04 0.00 0.70 0.00 0.00 55.95 56.05 3ftg s SER 24 Cb -0.16 -0.31 0.05 0.00 -1.71 0.00 0.00 66.02 63.89 3ftg s SER 24 CO 0.06 0.29 0.07 -0.69 1.20 0.00 0.00 173.24 174.16 3ftg s VAL 25 N -0.57 -0.04 0.12 4.45 1.01 -0.28 -1.20 120.40 123.90 3ftg s VAL 25 Ca 0.09 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.94 3ftg s VAL 25 Cb -0.09 -0.43 -0.07 0.00 0.00 0.00 0.00 36.38 35.79 3ftg s VAL 25 CO -0.01 -0.07 0.61 -0.83 0.00 0.00 0.00 175.10 174.81 3ftg s GLY 26 N 2.13 2.66 -0.01 4.51 0.00 0.74 -1.08 107.32 116.25 3ftg s GLY 26 Ca 0.03 0.06 0.02 0.00 0.00 0.00 0.00 44.72 44.83 3ftg s GLY 26 CO -0.06 0.46 -0.05 -0.19 0.00 0.00 0.00 173.10 173.25 3ftg s TYR 27 N -1.24 0.58 0.02 1.90 2.02 0.14 -1.77 117.35 118.99 3ftg s TYR 27 Ca 0.33 -0.12 0.08 0.00 -0.37 0.00 0.00 57.07 56.99 3ftg s TYR 27 Cb -0.19 -0.43 -0.02 0.00 -0.40 0.00 0.00 41.96 40.93 3ftg s TYR 27 CO 0.20 -0.05 -0.23 0.54 -1.57 0.00 0.00 175.55 174.44 3ftg s VAL 28 N 0.15 1.81 -0.55 0.71 0.11 0.11 -0.51 120.40 122.23 3ftg s VAL 28 Ca -0.01 -1.12 -0.02 0.00 -2.93 0.00 0.00 61.98 57.89 3ftg s VAL 28 Cb -0.06 -1.53 0.02 0.00 -1.53 0.00 0.00 36.38 33.28 3ftg s VAL 28 CO -0.00 0.38 0.05 0.47 -3.33 0.00 0.00 175.10 172.66 3ftg n ASP 29 N 2.15 0.09 -0.50 3.54 9.92 0.37 0.40 116.55 132.52 3ftg n ASP 29 Ca -0.16 -0.43 -0.06 0.00 -0.53 0.00 0.00 54.79 53.61 3ftg n ASP 29 Cb 0.53 -0.53 -0.03 0.00 -0.64 0.00 0.00 41.12 40.44 3ftg n ASP 29 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3ftg n ASN 30 N -0.65 -4.28 -3.94 -2.24 3.02 -1.26 -4.93 115.26 100.97 3ftg n ASN 30 Ca -0.07 0.16 -0.23 0.00 -0.03 0.00 0.00 54.58 54.41 3ftg n ASN 30 Cb 0.21 -2.35 -0.17 0.00 -0.61 0.00 0.00 39.78 36.87 3ftg n ASN 30 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3ftg s LYS 31 N -2.18 1.25 0.18 3.52 2.20 1.31 -5.07 119.74 120.95 3ftg s LYS 31 Ca 0.00 -0.24 -0.32 0.00 -0.36 0.00 0.00 55.97 55.05 3ftg s LYS 31 Cb 0.00 -1.14 -0.12 0.00 -1.51 0.00 0.00 37.83 35.05 3ftg s LYS 31 CO 0.00 -0.06 1.70 -1.91 -0.36 0.00 0.00 175.35 174.72 3ftg n GLU 32 N 4.06 2.62 -0.01 4.03 2.13 -1.26 0.06 120.64 132.28 3ftg n GLU 32 Ca -0.22 0.95 -0.01 0.00 0.66 0.00 0.00 57.16 58.53 3ftg n GLU 32 Cb 0.51 -2.78 -0.01 0.00 0.27 0.00 0.00 31.44 29.43 3ftg n GLU 32 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 3ftg n PHE 33 N 4.04 0.00 -4.21 4.31 -1.74 -0.73 -4.50 117.46 114.63 3ftg n PHE 33 Ca 0.17 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.91 3ftg n PHE 33 Cb 0.34 -0.05 -0.11 0.00 1.52 0.00 0.00 39.48 41.18 3ftg n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3ftg s VAL 34 N -2.03 1.07 -0.20 1.97 -7.23 -1.24 -0.42 120.40 112.32 3ftg s VAL 34 Ca -0.02 -1.79 -0.19 0.00 -1.81 0.00 0.00 61.98 58.17 3ftg s VAL 34 Cb 0.00 -1.55 0.05 0.00 0.56 0.00 0.00 36.38 35.45 3ftg s VAL 34 CO 0.03 -0.60 0.55 -0.60 -0.31 0.00 0.00 175.10 174.17 3ftg s ARG 35 N -3.09 0.66 0.11 4.82 3.52 -0.93 -0.19 118.95 123.85 3ftg s ARG 35 Ca 0.10 0.74 0.09 0.00 -0.13 0.00 0.00 55.73 56.53 3ftg s ARG 35 Cb -0.01 0.32 -0.04 0.00 -1.56 0.00 0.00 34.95 33.66 3ftg s ARG 35 CO 0.01 -0.08 -0.20 0.12 -0.81 0.00 0.00 175.30 174.33 3ftg s PHE 36 N 0.23 2.48 -0.17 5.12 2.19 -0.34 -2.01 117.98 125.48 3ftg s PHE 36 Ca -0.01 -0.30 -0.08 0.00 0.33 0.00 0.00 56.93 56.88 3ftg s PHE 36 Cb -0.04 -1.34 0.07 0.00 -1.31 0.00 0.00 43.02 40.40 3ftg s PHE 36 CO 0.01 0.35 0.39 0.34 1.83 0.00 0.00 175.22 178.14 3ftg s ASP 37 N -2.00 -0.36 0.31 6.13 -1.08 -1.26 -2.28 116.67 116.12 3ftg s ASP 37 Ca 0.16 0.87 0.10 0.00 -0.52 0.00 0.00 52.55 53.16 3ftg s ASP 37 Cb -0.10 0.89 0.49 0.00 -1.46 0.00 0.00 42.92 42.74 3ftg s ASP 37 CO 0.08 -0.21 1.70 -1.28 0.52 0.00 0.00 175.17 175.98 3ftg h SER 38 N 7.50 0.07 0.22 -0.34 0.87 -1.48 -3.33 113.55 117.06 3ftg h SER 38 Ca -0.30 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.22 3ftg h SER 38 Cb 1.16 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 3ftg h SER 38 CO 0.24 0.56 -0.11 0.44 -0.53 0.00 0.00 176.83 177.43 3ftg h ASP 39 N 0.05 -0.25 0.00 6.23 3.32 -1.96 -3.46 116.42 120.35 3ftg h ASP 39 Ca -0.00 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.84 3ftg h ASP 39 Cb 0.90 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.51 3ftg h ASP 39 CO 0.07 0.27 0.00 0.00 -1.72 0.00 0.00 179.24 177.85 3ftg n ALA 40 N -2.65 -0.31 0.00 3.45 0.00 -1.25 -4.82 120.51 114.94 3ftg n ALA 40 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3ftg n ALA 40 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 3ftg n ALA 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ftg n GLU 41 N 0.00 0.00 -4.00 0.00 4.71 -1.26 -3.54 120.64 116.55 3ftg n GLU 41 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.16 56.92 3ftg n GLU 41 Cb 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 31.44 30.26 3ftg n GLU 41 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 3ftg s ASN 42 N 0.00 1.60 -0.15 1.62 2.47 -1.26 -5.15 114.94 114.08 3ftg s ASN 42 Ca 0.00 -0.18 -0.13 0.00 0.42 0.00 0.00 52.86 52.97 3ftg s ASN 42 Cb 0.00 -0.60 -0.05 0.00 -1.45 0.00 0.00 41.25 39.15 3ftg s ASN 42 CO 0.00 -0.11 0.26 -2.16 -3.72 0.00 0.00 177.10 171.37 3ftg s PRO 43 N 1.47 4.12 0.33 0.43 0.05 -1.23 -5.08 135.00 135.10 3ftg s PRO 43 Ca -0.01 0.05 -0.10 0.00 0.05 0.00 0.00 61.00 60.99 3ftg s PRO 43 Cb -0.13 -3.38 0.02 0.00 0.05 0.00 0.00 34.50 31.06 3ftg s PRO 43 CO -0.04 0.35 0.59 -0.98 0.05 0.00 0.00 177.00 176.97 3ftg s ARG 44 N 0.14 1.93 -1.20 4.56 1.70 -1.26 -4.99 118.95 119.83 3ftg s ARG 44 Ca 0.16 -1.52 -0.15 0.00 -0.47 0.00 0.00 55.73 53.75 3ftg s ARG 44 Cb -0.13 0.52 -0.05 0.00 -0.57 0.00 0.00 34.95 34.71 3ftg s ARG 44 CO 0.04 -0.84 2.22 0.66 -1.08 0.00 0.00 175.30 176.29 3ftg n TYR 45 N -0.51 2.59 -1.55 5.89 0.53 -1.26 -4.43 117.16 118.42 3ftg n TYR 45 Ca -0.03 -2.50 -0.43 0.00 -1.02 0.00 0.00 57.90 53.92 3ftg n TYR 45 Cb 0.61 -2.17 -0.00 0.00 -1.03 0.00 0.00 39.34 36.74 3ftg n TYR 45 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 3ftg n GLU 46 N 5.82 1.07 -3.00 -0.72 4.71 -0.85 -4.66 120.64 123.00 3ftg n GLU 46 Ca 0.54 0.38 -0.37 0.00 -0.01 0.00 0.00 57.16 57.70 3ftg n GLU 46 Cb 0.34 -1.75 -0.06 0.00 -1.01 0.00 0.00 31.44 28.96 3ftg n GLU 46 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 3ftg s PRO 47 N -1.63 4.42 -0.13 3.49 0.05 -1.26 -2.18 135.00 137.75 3ftg s PRO 47 Ca 0.61 1.05 0.17 0.00 0.05 0.00 0.00 61.00 62.88 3ftg s PRO 47 Cb -0.66 -2.99 0.30 0.00 0.05 0.00 0.00 34.50 31.19 3ftg s PRO 47 CO 0.58 0.43 1.15 0.54 0.05 0.00 0.00 177.00 179.76 3ftg n ARG 48 N 0.99 1.24 -3.71 4.56 5.12 0.45 -4.94 116.66 120.37 3ftg n ARG 48 Ca -0.03 -2.60 -0.14 0.00 -1.93 0.00 0.00 57.85 53.16 3ftg n ARG 48 Cb 0.50 -1.45 -0.09 0.00 -1.16 0.00 0.00 32.46 30.26 3ftg n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ftg s ALA 49 N -2.75 -1.18 0.37 7.54 0.00 -1.23 -4.74 121.76 119.77 3ftg s ALA 49 Ca 0.31 1.27 0.12 0.00 0.00 0.00 0.00 51.96 53.65 3ftg s ALA 49 Cb 0.28 -0.68 0.72 0.00 0.00 0.00 0.00 23.12 23.44 3ftg s ALA 49 CO 0.01 -0.24 1.83 -1.35 0.00 0.00 0.00 175.76 176.02 3ftg h PRO 50 N 5.15 0.06 0.00 0.00 0.11 -1.94 -2.76 132.00 132.62 3ftg h PRO 50 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3ftg h PRO 50 Cb 1.17 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3ftg h PRO 50 CO 0.23 0.39 0.00 0.11 -0.21 0.00 0.00 178.00 178.52 3ftg h TRP 51 N 0.06 0.00 -0.00 0.65 5.08 -1.97 -2.41 115.95 117.36 3ftg h TRP 51 Ca 0.01 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.98 3ftg h TRP 51 Cb 0.61 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.77 3ftg h TRP 51 CO 0.00 0.00 -0.02 -1.33 -1.28 0.00 0.00 178.44 175.81 3ftg n MET 52 N -2.75 0.43 0.19 0.12 2.81 -1.04 -3.92 117.12 112.96 3ftg n MET 52 Ca 0.01 -0.02 0.04 0.00 -1.81 0.00 0.00 57.70 55.92 3ftg n MET 52 Cb 0.28 -1.50 0.36 0.00 -0.71 0.00 0.00 33.22 31.65 3ftg n MET 52 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3ftg h GLU 53 N 0.06 0.00 0.00 0.03 4.39 -1.57 -2.99 114.58 114.49 3ftg h GLU 53 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ftg h GLU 53 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3ftg h GLU 53 CO 0.00 0.39 0.00 0.94 -1.16 0.00 0.00 179.01 179.18 3ftg n GLN 54 N -3.79 0.15 -2.32 2.33 -0.06 -1.25 -4.63 117.38 107.81 3ftg n GLN 54 Ca -0.01 0.36 -0.41 0.00 -2.00 0.00 0.00 57.00 54.94 3ftg n GLN 54 Cb 0.46 -1.77 -0.03 0.00 -4.06 0.00 0.00 30.24 24.84 3ftg n GLN 54 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 3ftg s GLU 55 N -3.22 4.49 -0.15 3.69 0.41 -1.13 -5.01 118.70 117.77 3ftg s GLU 55 Ca 0.05 1.97 -0.11 0.00 -0.41 0.00 0.00 54.97 56.47 3ftg s GLU 55 Cb 0.10 -3.17 -0.05 0.00 -1.78 0.00 0.00 34.13 29.23 3ftg s GLU 55 CO 0.37 -0.04 0.22 0.20 -0.49 0.00 0.00 175.26 175.53 3ftg s GLY 56 N -0.32 2.17 -0.51 -1.39 0.00 -1.26 -4.96 107.32 101.05 3ftg s GLY 56 Ca 0.50 -0.54 -0.29 0.00 0.00 0.00 0.00 44.72 44.38 3ftg s GLY 56 CO 0.42 0.16 1.75 -1.05 0.00 0.00 0.00 173.10 174.38 3ftg n PRO 57 N 3.08 0.00 0.00 2.90 -0.02 -1.26 0.05 135.00 139.75 3ftg n PRO 57 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 3ftg n PRO 57 Cb 0.53 -1.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 3ftg n PRO 57 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3ftg n GLU 58 N 5.87 0.00 0.02 -0.52 4.07 -1.26 -4.88 120.64 123.94 3ftg n GLU 58 Ca 0.44 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.41 3ftg n GLU 58 Cb -0.01 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.35 3ftg n GLU 58 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 3ftg h TYR 59 N 0.00 0.77 -0.25 4.31 3.20 -0.75 -3.17 116.97 121.07 3ftg h TYR 59 Ca 0.00 -0.34 -0.18 0.00 3.14 0.00 0.00 58.73 61.34 3ftg h TYR 59 Cb 0.00 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.16 3ftg h TYR 59 CO 0.00 1.13 -0.56 -1.49 -1.64 0.00 0.00 178.16 175.60 3ftg h TRP 60 N 0.38 1.06 -0.50 -3.82 4.06 -1.90 -2.40 115.95 112.83 3ftg h TRP 60 Ca -0.04 -0.39 0.06 0.00 2.06 0.00 0.00 58.89 60.58 3ftg h TRP 60 Cb 1.36 -0.19 -0.05 0.00 -1.00 0.00 0.00 29.16 29.27 3ftg h TRP 60 CO 0.06 1.22 0.19 0.93 -3.56 0.00 0.00 178.44 177.28 3ftg h GLU 61 N 0.60 0.37 0.02 0.49 4.39 -1.91 0.30 114.58 118.83 3ftg h GLU 61 Ca 0.00 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.70 3ftg h GLU 61 Cb 1.18 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.70 3ftg h GLU 61 CO 0.12 0.24 -0.48 -0.09 -1.16 0.00 0.00 179.01 177.64 3ftg h ARG 62 N 0.38 -0.60 -0.14 2.33 9.65 -1.51 -0.17 114.38 124.32 3ftg h ARG 62 Ca 0.24 0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 59.11 3ftg h ARG 62 Cb 0.23 0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 28.95 3ftg h ARG 62 CO -0.23 -0.40 -0.10 0.93 2.80 0.00 0.00 179.97 182.97 3ftg h GLU 63 N -0.62 0.32 -0.79 0.20 4.39 -1.08 -0.82 114.58 116.17 3ftg h GLU 63 Ca 0.01 -0.15 0.13 0.00 0.34 0.00 0.00 59.36 59.68 3ftg h GLU 63 Cb 0.66 -0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.22 3ftg h GLU 63 CO -0.31 0.68 0.38 1.15 -1.16 0.00 0.00 179.01 179.75 3ftg h THR 64 N -0.04 0.75 -0.62 1.13 2.02 -0.48 -0.45 112.91 115.21 3ftg h THR 64 Ca 0.03 -0.20 -0.10 0.00 0.77 0.00 0.00 66.41 66.91 3ftg h THR 64 Cb 0.60 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3ftg h THR 64 CO 0.03 0.11 0.02 -0.61 0.37 0.00 0.00 175.52 175.43 3ftg h GLN 65 N 0.58 1.09 -0.77 6.66 4.15 -0.54 -2.48 115.11 123.79 3ftg h GLN 65 Ca 0.42 -0.34 0.11 0.00 0.77 0.00 0.00 58.65 59.61 3ftg h GLN 65 Cb 0.56 -0.10 -0.08 0.00 0.21 0.00 0.00 27.48 28.07 3ftg h GLN 65 CO -0.34 1.05 0.39 0.87 -1.93 0.00 0.00 178.83 178.87 3ftg h LYS 66 N 1.00 0.62 0.00 1.69 1.57 -0.12 -0.87 116.57 120.45 3ftg h LYS 66 Ca 0.18 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3ftg h LYS 66 Cb 0.55 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 3ftg h LYS 66 CO 0.03 0.41 -0.14 0.00 -0.57 0.00 0.00 179.45 179.18 3ftg h ALA 67 N 1.47 1.23 -0.52 3.86 0.00 -0.69 -1.45 119.26 123.17 3ftg h ALA 67 Ca 0.39 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 3ftg h ALA 67 Cb 0.45 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3ftg h ALA 67 CO -0.30 0.17 -0.07 0.87 0.00 0.00 0.00 179.25 179.93 3ftg h LYS 68 N 0.00 0.96 -0.01 0.00 6.56 -0.81 -2.91 116.57 120.37 3ftg h LYS 68 Ca -0.00 -0.34 0.00 0.00 -1.06 0.00 0.00 60.65 59.25 3ftg h LYS 68 Cb 0.40 -0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 31.99 3ftg h LYS 68 CO 0.02 1.01 -0.01 0.78 -2.06 0.00 0.00 179.45 179.19 3ftg h GLY 69 N 0.83 0.01 0.92 3.86 0.00 -1.02 -3.02 103.07 104.66 3ftg h GLY 69 Ca 0.14 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.50 3ftg h GLY 69 CO 0.04 -0.01 0.58 1.46 0.00 0.00 0.00 176.54 178.61 3ftg h GLN 70 N -0.01 1.11 -0.01 4.80 1.08 -1.35 -0.54 115.11 120.20 3ftg h GLN 70 Ca 0.01 -0.07 0.03 0.00 -1.45 0.00 0.00 58.65 57.17 3ftg h GLN 70 Cb 0.02 -0.25 -0.05 0.00 -0.05 0.00 0.00 27.48 27.14 3ftg h GLN 70 CO -0.02 0.74 -0.33 0.93 -0.95 0.00 0.00 178.83 179.20 3ftg h GLU 71 N 1.15 -0.46 -0.65 1.46 5.08 -1.46 0.49 114.58 120.19 3ftg h GLU 71 Ca 0.34 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.85 3ftg h GLU 71 Cb -0.05 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 29.18 3ftg h GLU 71 CO -0.10 -0.31 -0.29 1.96 -1.00 0.00 0.00 179.01 179.27 3ftg h GLN 72 N -0.48 -0.10 -0.35 2.33 1.08 -1.23 0.05 115.11 116.40 3ftg h GLN 72 Ca 0.06 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 3ftg h GLN 72 Cb 0.57 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 3ftg h GLN 72 CO -0.28 -0.07 0.19 2.35 -0.95 0.00 0.00 178.83 180.07 3ftg h TRP 73 N -0.11 0.48 -0.10 2.96 7.01 -0.02 -2.48 115.95 123.69 3ftg h TRP 73 Ca 0.27 -0.01 -0.09 0.00 2.11 0.00 0.00 58.89 61.17 3ftg h TRP 73 Cb 0.55 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.44 3ftg h TRP 73 CO -0.63 0.39 -0.34 0.74 -2.79 0.00 0.00 178.44 175.81 3ftg h PHE 74 N 0.43 0.22 0.58 2.65 -1.00 0.49 -1.68 116.94 118.62 3ftg h PHE 74 Ca 0.12 -0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.82 3ftg h PHE 74 Cb 0.07 -0.05 0.01 0.00 3.61 0.00 0.00 35.95 39.58 3ftg h PHE 74 CO -0.03 0.52 -0.28 -0.09 -1.61 0.00 0.00 178.31 176.82 3ftg h ARG 75 N 0.17 -0.75 -0.23 1.51 2.43 -0.74 0.13 114.38 116.90 3ftg h ARG 75 Ca 0.02 0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.30 3ftg h ARG 75 Cb 0.69 0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 30.35 3ftg h ARG 75 CO 0.05 -0.44 -0.17 0.28 -1.51 0.00 0.00 179.97 178.18 3ftg h VAL 76 N -1.05 0.53 -0.49 0.20 2.07 -1.43 -1.92 116.25 114.15 3ftg h VAL 76 Ca -0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.47 3ftg h VAL 76 Cb 0.65 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3ftg h VAL 76 CO 0.13 0.00 0.29 0.28 0.02 0.00 0.00 177.57 178.29 3ftg h SER 77 N -0.16 0.45 -0.84 0.57 0.02 -1.32 0.12 113.55 112.39 3ftg h SER 77 Ca 0.13 0.01 0.21 0.00 -0.84 0.00 0.00 61.79 61.30 3ftg h SER 77 Cb 0.36 -0.08 -0.13 0.00 0.14 0.00 0.00 62.40 62.69 3ftg h SER 77 CO -0.33 0.32 0.22 0.25 -1.14 0.00 0.00 176.83 176.15 3ftg h LEU 78 N 0.57 0.02 0.76 5.07 5.85 -0.30 -1.45 115.31 125.83 3ftg h LEU 78 Ca 0.20 0.18 -0.04 0.00 0.84 0.00 0.00 57.88 59.06 3ftg h LEU 78 Cb 0.04 0.24 0.01 0.00 0.37 0.00 0.00 40.66 41.32 3ftg h LEU 78 CO -0.10 -0.10 -0.37 0.03 -0.34 0.00 0.00 178.44 177.56 3ftg h ARG 79 N 0.24 -0.99 -0.93 1.25 3.08 -0.29 -3.03 114.38 113.71 3ftg h ARG 79 Ca 0.51 0.07 0.25 0.00 0.07 0.00 0.00 59.98 60.88 3ftg h ARG 79 Cb 0.97 0.22 -0.17 0.00 0.08 0.00 0.00 29.97 31.07 3ftg h ARG 79 CO -0.60 -0.66 0.09 -0.91 -1.07 0.00 0.00 179.97 176.82 3ftg h ASN 80 N -1.20 -0.32 -0.23 7.04 2.35 -0.67 0.38 115.58 122.93 3ftg h ASN 80 Ca -0.10 0.25 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 3ftg h ASN 80 Cb 0.79 0.41 -0.02 0.00 0.05 0.00 0.00 38.32 39.55 3ftg h ASN 80 CO 0.17 -0.29 0.07 -0.07 -1.65 0.00 0.00 177.43 175.66 3ftg h LEU 81 N 0.07 0.41 -0.84 1.61 3.38 -1.29 -2.49 115.31 116.15 3ftg h LEU 81 Ca 0.57 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.52 3ftg h LEU 81 Cb 1.17 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 3ftg h LEU 81 CO -0.82 0.42 0.55 0.25 0.09 0.00 0.00 178.44 178.93 3ftg h LEU 82 N 0.44 0.91 0.01 1.67 5.85 -0.10 -2.10 115.31 121.99 3ftg h LEU 82 Ca 0.11 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3ftg h LEU 82 Cb 0.19 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3ftg h LEU 82 CO -0.00 0.63 -0.00 1.23 -0.34 0.00 0.00 178.44 179.95 3ftg h GLY 83 N 1.07 -0.01 -0.96 3.75 0.00 -1.47 -0.49 103.07 104.96 3ftg h GLY 83 Ca 0.33 0.00 0.41 0.00 0.00 0.00 0.00 47.33 48.08 3ftg h GLY 83 CO -0.11 -0.00 0.85 -0.97 0.00 0.00 0.00 176.54 176.30 3ftg h TYR 84 N -0.66 0.50 -0.18 5.60 0.05 -1.12 -1.87 116.97 119.30 3ftg h TYR 84 Ca -0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3ftg h TYR 84 Cb 0.64 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.26 3ftg h TYR 84 CO 0.15 -0.15 0.00 0.66 -1.05 0.00 0.00 178.16 177.77 3ftg n TYR 85 N -4.63 0.23 -3.78 4.88 4.02 -0.82 -4.85 117.16 112.21 3ftg n TYR 85 Ca 0.35 -0.27 -0.27 0.00 -0.01 0.00 0.00 57.90 57.70 3ftg n TYR 85 Cb 1.36 -0.02 0.05 0.00 -0.02 0.00 0.00 39.34 40.71 3ftg n TYR 85 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3ftg n ASN 86 N 0.49 -4.97 -4.71 7.72 4.13 -0.70 -4.95 115.26 112.26 3ftg n ASN 86 Ca 0.08 -0.70 -0.40 0.00 1.68 0.00 0.00 54.58 55.24 3ftg n ASN 86 Cb 0.34 -4.33 -0.04 0.00 -1.54 0.00 0.00 39.78 34.20 3ftg n ASN 86 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3ftg s GLN 87 N -6.43 4.46 0.00 3.52 -0.21 -0.27 -5.05 119.66 115.69 3ftg s GLN 87 Ca 0.56 1.03 0.00 0.00 0.02 0.00 0.00 55.36 56.98 3ftg s GLN 87 Cb -0.27 -3.46 0.00 0.00 1.00 0.00 0.00 33.01 30.28 3ftg s GLN 87 CO 0.79 0.00 0.00 0.43 -2.12 0.00 0.00 175.29 174.39 3ftg n SER 88 N 3.93 0.00 -4.92 5.90 7.64 -1.26 -4.66 113.62 120.24 3ftg n SER 88 Ca 0.01 -0.95 -0.26 0.00 1.01 0.00 0.00 58.87 58.68 3ftg n SER 88 Cb 0.51 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.76 3ftg n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ftg s ALA 89 N -3.53 3.23 -0.26 -0.43 0.00 -1.26 -4.73 121.76 114.78 3ftg s ALA 89 Ca 0.00 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.16 3ftg s ALA 89 Cb 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.51 3ftg s ALA 89 CO 0.00 -1.03 0.02 0.41 0.00 0.00 0.00 175.76 175.16 3ftg n GLY 90 N -2.75 -3.88 0.00 0.00 0.00 -1.26 -5.07 105.19 92.23 3ftg n GLY 90 Ca 0.06 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.60 3ftg n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ftg n GLY 91 N 0.88 0.93 3.45 -0.02 0.00 -1.26 -5.04 105.19 104.12 3ftg n GLY 91 Ca -0.03 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 3ftg n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ftg s SER 92 N 0.00 5.02 0.26 1.61 0.15 -1.26 -4.53 113.70 114.95 3ftg s SER 92 Ca 0.00 -0.20 0.10 0.00 0.70 0.00 0.00 55.95 56.55 3ftg s SER 92 Cb 0.00 -1.89 -0.05 0.00 -1.71 0.00 0.00 66.02 62.37 3ftg s SER 92 CO 0.00 0.00 -0.17 -1.00 1.20 0.00 0.00 173.24 173.27 3ftg s HIS 93 N 1.39 2.12 0.02 3.44 4.02 -1.25 -4.97 115.29 120.06 3ftg s HIS 93 Ca 0.05 -0.43 0.03 0.00 1.02 0.00 0.00 55.06 55.73 3ftg s HIS 93 Cb -0.15 -0.97 -0.01 0.00 -1.02 0.00 0.00 32.58 30.42 3ftg s HIS 93 CO 0.02 0.59 -0.10 0.95 1.02 0.00 0.00 174.74 177.23 3ftg s THR 94 N -2.67 0.74 -0.03 1.30 -4.23 -1.26 -1.21 115.64 108.28 3ftg s THR 94 Ca 0.28 -0.68 0.03 0.00 -1.18 0.00 0.00 61.69 60.14 3ftg s THR 94 Cb -0.03 -0.67 0.00 0.00 1.34 0.00 0.00 72.50 73.14 3ftg s THR 94 CO 0.13 0.00 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.87 3ftg s LEU 95 N -0.76 1.84 0.03 4.79 2.96 -0.40 -1.19 118.68 125.96 3ftg s LEU 95 Ca -0.00 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 3ftg s LEU 95 Cb -0.06 -0.71 -0.02 0.00 0.50 0.00 0.00 46.19 45.91 3ftg s LEU 95 CO 0.00 0.10 -0.11 -1.10 -1.32 0.00 0.00 176.35 173.93 3ftg s GLN 96 N 0.11 0.74 0.03 1.98 -0.21 -0.19 -0.97 119.66 121.15 3ftg s GLN 96 Ca -0.03 -0.63 0.04 0.00 0.02 0.00 0.00 55.36 54.76 3ftg s GLN 96 Cb -0.09 -0.69 -0.02 0.00 1.00 0.00 0.00 33.01 33.21 3ftg s GLN 96 CO 0.01 0.17 -0.12 -1.14 -2.12 0.00 0.00 175.29 172.09 3ftg s GLN 97 N -1.00 0.80 -0.03 2.91 0.74 -0.11 -1.36 119.66 121.61 3ftg s GLN 97 Ca -0.01 -0.67 -0.01 0.00 0.05 0.00 0.00 55.36 54.72 3ftg s GLN 97 Cb -0.07 -0.76 0.03 0.00 1.10 0.00 0.00 33.01 33.31 3ftg s GLN 97 CO 0.01 0.18 0.05 1.41 -0.55 0.00 0.00 175.29 176.39 3ftg s MET 98 N -1.06 -0.05 0.14 1.67 1.75 -0.08 -1.91 119.30 119.77 3ftg s MET 98 Ca -0.00 0.26 -0.03 0.00 -1.25 0.00 0.00 55.69 54.67 3ftg s MET 98 Cb -0.07 -0.33 -0.03 0.00 2.84 0.00 0.00 34.83 37.23 3ftg s MET 98 CO 0.01 -0.22 0.13 -1.54 -0.65 0.00 0.00 175.02 172.74 3ftg s SER 99 N 1.46 0.22 0.00 1.11 1.04 -1.16 -0.54 113.70 115.83 3ftg s SER 99 Ca -0.04 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.27 3ftg s SER 99 Cb -0.13 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3ftg s SER 99 CO -0.03 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.01 3ftg n GLY 100 N -0.14 0.75 3.10 7.32 0.00 -0.71 -1.91 105.19 113.61 3ftg n GLY 100 Ca -0.06 -1.87 -0.11 0.00 0.00 0.00 0.00 46.02 43.98 3ftg n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ftg s ASP 102 N -1.35 5.89 -0.01 0.00 1.01 -0.11 -1.99 116.67 120.11 3ftg s ASP 102 Ca -0.14 0.28 0.07 0.00 0.71 0.00 0.00 52.55 53.47 3ftg s ASP 102 Cb -0.08 -1.88 -0.02 0.00 1.01 0.00 0.00 42.92 41.95 3ftg s ASP 102 CO 0.01 0.33 -0.23 -0.76 0.21 0.00 0.00 175.17 174.74 3ftg s LEU 103 N -0.59 2.29 0.67 1.23 1.43 0.36 -0.36 118.68 123.71 3ftg s LEU 103 Ca 0.11 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.71 3ftg s LEU 103 Cb -0.12 -1.40 0.04 0.00 0.03 0.00 0.00 46.19 44.75 3ftg s LEU 103 CO 0.02 0.31 0.99 -0.83 0.23 0.00 0.00 176.35 177.07 3ftg s GLY 104 N -0.86 1.65 0.64 -3.19 0.00 -1.01 -0.14 107.32 104.41 3ftg s GLY 104 Ca 0.11 -0.78 0.32 0.00 0.00 0.00 0.00 44.72 44.37 3ftg s GLY 104 CO 0.01 -0.42 2.02 1.48 0.00 0.00 0.00 173.10 176.19 3ftg h SER 105 N -0.49 0.00 -0.01 1.64 4.64 -1.92 0.80 113.55 118.21 3ftg h SER 105 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3ftg h SER 105 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3ftg h SER 105 CO 0.61 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.67 3ftg n ASP 106 N -3.21 0.27 0.00 4.97 3.85 -1.26 -4.89 116.55 116.28 3ftg n ASP 106 Ca 0.00 -1.25 0.00 0.00 -0.71 0.00 0.00 54.79 52.83 3ftg n ASP 106 Cb 0.37 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 40.13 3ftg n ASP 106 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 3ftg n TRP 107 N -0.71 0.00 -3.52 2.11 7.02 0.28 -5.03 117.44 117.59 3ftg n TRP 107 Ca 0.19 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.43 3ftg n TRP 107 Cb 0.13 -0.37 -0.02 0.00 -2.42 0.00 0.00 31.31 28.64 3ftg n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3ftg s ARG 108 N -0.33 3.50 -0.22 -0.99 0.52 -1.26 -4.83 118.95 115.34 3ftg s ARG 108 Ca 0.00 -0.37 -0.29 0.00 -0.52 0.00 0.00 55.73 54.56 3ftg s ARG 108 Cb 0.00 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.71 3ftg s ARG 108 CO 0.00 0.24 1.89 -1.17 0.02 0.00 0.00 175.30 176.28 3ftg s LEU 109 N -4.03 3.71 -0.11 2.53 2.96 -1.26 -2.39 118.68 120.09 3ftg s LEU 109 Ca 0.39 1.74 -0.27 0.00 -0.22 0.00 0.00 54.13 55.77 3ftg s LEU 109 Cb -0.10 -3.52 -0.23 0.00 0.50 0.00 0.00 46.19 42.84 3ftg s LEU 109 CO 0.33 -1.57 0.83 -0.07 -1.32 0.00 0.00 176.35 174.55 3ftg h LEU 110 N 13.14 -0.01 -7.00 -0.68 3.38 -1.04 -3.48 115.31 119.63 3ftg h LEU 110 Ca -0.38 -0.82 0.14 0.00 0.09 0.00 0.00 57.88 56.91 3ftg h LEU 110 Cb 1.19 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.70 3ftg h LEU 110 CO 0.99 0.85 0.69 0.00 0.09 0.00 0.00 178.44 181.06 3ftg s ARG 111 N -2.63 0.40 0.22 1.13 1.70 -1.20 -4.99 118.95 113.58 3ftg s ARG 111 Ca -0.17 0.11 0.04 0.00 -0.47 0.00 0.00 55.73 55.24 3ftg s ARG 111 Cb -0.02 0.19 -0.03 0.00 -0.57 0.00 0.00 34.95 34.52 3ftg s ARG 111 CO 0.64 -0.12 0.34 0.20 -1.08 0.00 0.00 175.30 175.28 3ftg s GLY 112 N -1.03 1.34 -0.02 3.88 0.00 -1.26 -0.94 107.32 109.29 3ftg s GLY 112 Ca 0.02 -1.18 0.03 0.00 0.00 0.00 0.00 44.72 43.59 3ftg s GLY 112 CO -0.02 -1.19 -0.09 -0.19 0.00 0.00 0.00 173.10 171.60 3ftg s TYR 113 N -1.92 0.94 -0.26 1.90 2.02 0.55 -4.89 117.35 115.69 3ftg s TYR 113 Ca 0.34 -0.23 -0.02 0.00 -0.37 0.00 0.00 57.07 56.79 3ftg s TYR 113 Cb -0.10 -0.66 0.15 0.00 -0.40 0.00 0.00 41.96 40.95 3ftg s TYR 113 CO 0.29 -0.09 0.43 -1.17 -1.57 0.00 0.00 175.55 173.45 3ftg s LEU 114 N 0.13 -0.83 0.15 -1.29 2.96 -1.23 -1.74 118.68 116.84 3ftg s LEU 114 Ca -0.02 0.36 -0.09 0.00 -0.22 0.00 0.00 54.13 54.17 3ftg s LEU 114 Cb -0.08 1.38 -0.01 0.00 0.50 0.00 0.00 46.19 47.98 3ftg s LEU 114 CO 0.00 -0.29 0.27 0.00 -1.32 0.00 0.00 176.35 175.01 3ftg s GLN 115 N 2.62 1.11 -0.06 1.98 -2.07 0.30 -0.66 119.66 122.89 3ftg s GLN 115 Ca 0.15 -1.15 -0.06 0.00 -1.82 0.00 0.00 55.36 52.48 3ftg s GLN 115 Cb -0.15 0.37 0.01 0.00 -1.09 0.00 0.00 33.01 32.15 3ftg s GLN 115 CO -0.18 -0.40 0.16 -0.06 -1.32 0.00 0.00 175.29 173.49 3ftg s PHE 116 N -3.95 -0.16 0.01 9.60 0.40 -0.18 -0.90 117.98 122.79 3ftg s PHE 116 Ca 0.16 0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.92 3ftg s PHE 116 Cb 0.04 0.05 -0.01 0.00 0.51 0.00 0.00 43.02 43.60 3ftg s PHE 116 CO -0.02 -0.09 -0.14 0.00 0.70 0.00 0.00 175.22 175.67 3ftg s ALA 117 N -0.00 1.15 -0.07 5.36 0.00 -0.46 -0.44 121.76 127.30 3ftg s ALA 117 Ca -0.01 -0.68 0.04 0.00 0.00 0.00 0.00 51.96 51.31 3ftg s ALA 117 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 3ftg s ALA 117 CO 0.00 0.26 -0.18 -0.47 0.00 0.00 0.00 175.76 175.37 3ftg s TYR 118 N -0.51 2.63 -1.10 0.00 5.04 -0.42 -1.03 117.35 121.97 3ftg s TYR 118 Ca 0.04 -0.46 0.00 0.00 -2.44 0.00 0.00 57.07 54.21 3ftg s TYR 118 Cb -0.06 -1.67 0.00 0.00 0.35 0.00 0.00 41.96 40.58 3ftg s TYR 118 CO 0.00 -0.04 0.00 0.39 -1.34 0.00 0.00 175.55 174.56 3ftg n GLU 119 N 2.81 -2.17 -1.01 4.97 -0.58 -0.33 -0.88 120.64 123.45 3ftg n GLU 119 Ca -0.17 0.62 -0.00 0.00 -0.42 0.00 0.00 57.16 57.18 3ftg n GLU 119 Cb 0.52 -5.21 -0.00 0.00 -0.57 0.00 0.00 31.44 26.18 3ftg n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ftg n GLY 120 N -0.79 0.46 3.20 0.62 0.00 -1.26 -5.01 105.19 102.41 3ftg n GLY 120 Ca -0.15 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 3ftg n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ftg s ARG 121 N -0.58 2.31 0.07 1.61 0.52 -0.05 -5.06 118.95 117.76 3ftg s ARG 121 Ca 0.00 -0.77 -0.37 0.00 -0.52 0.00 0.00 55.73 54.07 3ftg s ARG 121 Cb 0.00 -1.93 -0.19 0.00 0.52 0.00 0.00 34.95 33.36 3ftg s ARG 121 CO 0.00 0.29 1.00 -0.25 0.02 0.00 0.00 175.30 176.36 3ftg n ASP 122 N 3.14 0.05 0.02 0.23 8.00 -1.26 -1.30 116.55 125.42 3ftg n ASP 122 Ca -0.18 1.15 -0.01 0.00 0.71 0.00 0.00 54.79 56.46 3ftg n ASP 122 Cb 0.52 -0.98 -0.00 0.00 -0.02 0.00 0.00 41.12 40.64 3ftg n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ftg n TYR 123 N 1.30 0.00 -3.85 1.24 9.36 0.42 -4.68 117.16 120.95 3ftg n TYR 123 Ca 0.19 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.30 3ftg n TYR 123 Cb 0.14 -0.04 -0.09 0.00 -0.63 0.00 0.00 39.34 38.72 3ftg n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3ftg s ILE 124 N -1.60 0.09 -0.13 2.97 2.07 -1.14 -1.30 121.20 122.16 3ftg s ILE 124 Ca -0.02 -0.71 -0.13 0.00 -1.41 0.00 0.00 60.65 58.38 3ftg s ILE 124 Cb 0.00 -0.57 0.03 0.00 0.13 0.00 0.00 42.46 42.05 3ftg s ILE 124 CO 0.03 -0.39 0.36 0.00 -1.91 0.00 0.00 174.94 173.04 3ftg s ALA 125 N -1.65 -0.89 -0.09 1.50 0.00 -0.96 -1.02 121.76 118.65 3ftg s ALA 125 Ca -0.12 1.01 -0.30 0.00 0.00 0.00 0.00 51.96 52.55 3ftg s ALA 125 Cb -0.06 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 3ftg s ALA 125 CO 0.01 -0.17 1.09 -1.17 0.00 0.00 0.00 175.76 175.51 3ftg s LEU 126 N 0.17 4.25 0.79 0.00 2.96 0.17 -1.91 118.68 125.12 3ftg s LEU 126 Ca -0.00 1.64 -0.13 0.00 -0.22 0.00 0.00 54.13 55.42 3ftg s LEU 126 Cb -0.03 -3.56 0.07 0.00 0.50 0.00 0.00 46.19 43.18 3ftg s LEU 126 CO 0.01 -0.51 1.16 0.20 -1.32 0.00 0.00 176.35 175.88 3ftg s ASN 127 N 1.26 3.93 0.66 3.68 0.01 0.73 -4.64 114.94 120.56 3ftg s ASN 127 Ca 0.51 2.17 0.43 0.00 -0.71 0.00 0.00 52.86 55.26 3ftg s ASN 127 Cb -0.21 -2.57 2.34 0.00 0.41 0.00 0.00 41.25 41.23 3ftg s ASN 127 CO 0.19 -2.43 2.32 -0.08 -1.51 0.00 0.00 177.10 175.59 3ftg h GLU 128 N -0.93 0.00 0.00 -0.60 4.81 -1.90 0.20 114.58 116.16 3ftg h GLU 128 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3ftg h GLU 128 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 3ftg h GLU 128 CO 0.48 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.36 3ftg n ASP 129 N -3.03 0.00 -1.84 1.04 5.75 -1.26 -4.84 116.55 112.36 3ftg n ASP 129 Ca -0.03 -1.50 -0.07 0.00 -0.01 0.00 0.00 54.79 53.18 3ftg n ASP 129 Cb 0.09 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.16 3ftg n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3ftg n LEU 130 N -0.57 -0.60 0.00 -2.12 4.77 0.06 -4.55 117.00 113.99 3ftg n LEU 130 Ca 0.03 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3ftg n LEU 130 Cb 0.01 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 39.61 3ftg n LEU 130 CO 0.02 -0.23 0.00 1.17 -1.33 0.00 0.00 177.39 177.02 3ftg n LYS 131 N -2.08 0.67 -3.95 3.23 4.81 -1.26 -4.54 118.16 115.04 3ftg n LYS 131 Ca -0.08 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.27 3ftg n LYS 131 Cb 0.40 -0.06 -0.07 0.00 0.02 0.00 0.00 35.03 35.32 3ftg n LYS 131 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3ftg s THR 132 N 0.00 0.07 0.00 3.15 -4.23 -1.26 -4.98 115.64 108.39 3ftg s THR 132 Ca 0.00 -1.37 0.08 0.00 -1.18 0.00 0.00 61.69 59.21 3ftg s THR 132 Cb 0.00 -1.80 -0.02 0.00 1.34 0.00 0.00 72.50 72.02 3ftg s THR 132 CO 0.00 -0.32 -0.23 0.26 -0.54 0.00 0.00 174.62 173.78 3ftg s TRP 133 N -3.96 2.09 -0.41 3.99 0.52 -1.26 -0.20 118.94 119.71 3ftg s TRP 133 Ca 0.16 -0.39 -0.19 0.00 0.02 0.00 0.00 56.10 55.70 3ftg s TRP 133 Cb 0.03 -1.31 0.02 0.00 -1.15 0.00 0.00 33.47 31.06 3ftg s TRP 133 CO -0.01 0.01 0.52 0.99 0.02 0.00 0.00 176.95 178.48 3ftg s THR 134 N -0.63 4.98 -0.25 2.01 2.01 -0.80 -4.92 115.64 118.05 3ftg s THR 134 Ca 0.09 -0.06 -0.10 0.00 0.31 0.00 0.00 61.69 61.93 3ftg s THR 134 Cb -0.09 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.29 3ftg s THR 134 CO -0.00 -0.44 0.15 0.00 -0.69 0.00 0.00 174.62 173.64 3ftg s ALA 135 N 2.42 3.54 0.35 7.40 0.00 -1.26 -2.28 121.76 131.94 3ftg s ALA 135 Ca 0.17 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.22 3ftg s ALA 135 Cb -0.16 -2.31 0.66 0.00 0.00 0.00 0.00 23.12 21.31 3ftg s ALA 135 CO 0.15 -0.27 1.94 0.00 0.00 0.00 0.00 175.76 177.58 3ftg h ALA 136 N 7.72 1.47 -2.93 0.00 0.00 -1.47 -3.47 119.26 120.58 3ftg h ALA 136 Ca -0.37 -0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.16 3ftg h ALA 136 Cb 1.17 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 3ftg h ALA 136 CO 0.63 0.40 -0.16 0.16 0.00 0.00 0.00 179.25 180.28 3ftg s ASP 137 N -6.66 0.83 0.34 0.00 3.84 -1.26 -5.04 116.67 108.72 3ftg s ASP 137 Ca -0.08 -1.45 0.04 0.00 -0.00 0.00 0.00 52.55 51.06 3ftg s ASP 137 Cb 0.16 0.68 0.62 0.00 -1.38 0.00 0.00 42.92 43.00 3ftg s ASP 137 CO 0.76 -1.32 1.90 0.24 -0.00 0.00 0.00 175.17 176.75 3ftg h MET 138 N 2.10 0.58 0.17 2.11 2.86 -1.99 -1.81 114.93 118.96 3ftg h MET 138 Ca -0.28 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.25 3ftg h MET 138 Cb 1.24 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 3ftg h MET 138 CO 0.39 0.55 -0.13 0.00 1.06 0.00 0.00 176.91 178.78 3ftg h ALA 139 N 1.52 -0.28 -0.11 6.32 0.00 -1.97 -2.75 119.26 121.99 3ftg h ALA 139 Ca 0.13 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3ftg h ALA 139 Cb 0.24 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3ftg h ALA 139 CO -0.00 -0.67 0.18 0.00 0.00 0.00 0.00 179.25 178.76 3ftg h ALA 140 N 0.51 1.54 -0.67 0.00 0.00 -1.64 -0.67 119.26 118.32 3ftg h ALA 140 Ca -0.01 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3ftg h ALA 140 Cb 0.27 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 3ftg h ALA 140 CO -0.01 -0.24 0.36 1.96 0.00 0.00 0.00 179.25 181.33 3ftg h GLN 141 N 0.00 0.64 0.00 0.00 1.08 -1.20 0.27 115.11 115.91 3ftg h GLN 141 Ca 0.05 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.24 3ftg h GLN 141 Cb 0.42 -0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 27.65 3ftg h GLN 141 CO -0.00 0.42 -0.34 0.82 -0.95 0.00 0.00 178.83 178.78 3ftg h ILE 142 N 0.66 0.27 0.04 2.54 2.04 -1.22 0.11 117.51 121.95 3ftg h ILE 142 Ca 0.31 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.19 3ftg h ILE 142 Cb 0.23 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 3ftg h ILE 142 CO -0.20 0.00 -0.16 0.74 0.00 0.00 0.00 178.15 178.53 3ftg h THR 143 N -0.50 0.62 -0.44 -0.27 2.02 -1.43 -0.06 112.91 112.85 3ftg h THR 143 Ca 0.06 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.28 3ftg h THR 143 Cb 0.58 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 3ftg h THR 143 CO -0.28 0.00 -0.26 -0.09 0.37 0.00 0.00 175.52 175.26 3ftg h ARG 144 N -0.28 -0.00 -0.97 6.66 2.43 -0.21 0.13 114.38 122.13 3ftg h ARG 144 Ca 0.04 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.30 3ftg h ARG 144 Cb 0.33 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.81 3ftg h ARG 144 CO -0.13 -0.00 0.63 0.00 -1.51 0.00 0.00 179.97 178.96 3ftg h ARG 145 N -0.00 1.03 -0.55 0.20 3.08 -0.44 0.32 114.38 118.01 3ftg h ARG 145 Ca 0.07 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.08 3ftg h ARG 145 Cb 0.18 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 3ftg h ARG 145 CO -0.42 0.68 0.37 0.87 -1.07 0.00 0.00 179.97 180.40 3ftg h LYS 146 N 1.06 0.65 0.00 0.04 1.57 -0.03 -0.95 116.57 118.91 3ftg h LYS 146 Ca 0.44 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 59.13 3ftg h LYS 146 Cb 0.30 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3ftg h LYS 146 CO -0.20 0.43 -1.23 0.91 -0.57 0.00 0.00 179.45 178.79 3ftg n TRP 147 N -4.46 0.87 0.05 -1.35 7.02 0.80 -3.24 117.44 117.12 3ftg n TRP 147 Ca 0.06 0.27 -0.02 0.00 -1.02 0.00 0.00 57.50 56.78 3ftg n TRP 147 Cb 0.12 -0.96 -0.01 0.00 -2.42 0.00 0.00 31.31 28.04 3ftg n TRP 147 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 3ftg h GLU 148 N 0.00 -0.14 -2.34 -0.99 5.08 -0.55 -2.75 114.58 112.89 3ftg h GLU 148 Ca -0.06 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3ftg h GLU 148 Cb 1.18 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 3ftg h GLU 148 CO 0.01 -0.09 0.05 1.04 -1.00 0.00 0.00 179.01 179.03 3ftg n GLN 149 N -2.93 0.77 0.00 2.33 6.02 -0.37 -1.69 117.38 121.51 3ftg n GLN 149 Ca -0.02 -0.30 0.00 0.00 -0.01 0.00 0.00 57.00 56.67 3ftg n GLN 149 Cb 0.06 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 29.75 3ftg n GLN 149 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3ftg n SER 150 N 2.41 0.00 -3.38 1.08 2.88 -1.20 -4.90 113.62 110.51 3ftg n SER 150 Ca 0.13 -0.70 -0.24 0.00 -1.33 0.00 0.00 58.87 56.72 3ftg n SER 150 Cb 0.36 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.86 3ftg n SER 150 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ftg n GLY 151 N 0.00 -0.52 0.25 0.46 0.00 -0.68 -4.94 105.19 99.76 3ftg n GLY 151 Ca 0.00 0.17 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 3ftg n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ftg h ALA 152 N 1.00 0.73 -0.74 4.61 0.00 -1.78 -3.23 119.26 119.85 3ftg h ALA 152 Ca -0.54 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.36 3ftg h ALA 152 Cb 1.36 -0.22 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 3ftg h ALA 152 CO 0.58 0.35 -0.19 0.00 0.00 0.00 0.00 179.25 179.99 3ftg h ALA 153 N 1.07 0.48 -0.61 0.00 0.00 -1.90 0.09 119.26 118.39 3ftg h ALA 153 Ca 0.19 0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 3ftg h ALA 153 Cb 0.21 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3ftg h ALA 153 CO -0.01 -0.42 0.35 1.05 0.00 0.00 0.00 179.25 180.22 3ftg h GLU 154 N -0.00 0.84 -0.37 0.00 9.09 -1.79 0.30 114.58 122.65 3ftg h GLU 154 Ca 0.36 -0.09 0.08 0.00 0.05 0.00 0.00 59.36 59.76 3ftg h GLU 154 Cb 0.55 -0.17 -0.09 0.00 -1.65 0.00 0.00 28.75 27.39 3ftg h GLU 154 CO -0.77 0.62 -0.28 1.25 0.05 0.00 0.00 179.01 179.88 3ftg h HIS 155 N 0.82 -0.76 -0.48 2.06 2.76 -1.09 0.44 115.15 118.91 3ftg h HIS 155 Ca 0.22 0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.43 3ftg h HIS 155 Cb 0.01 0.39 -0.02 0.00 1.55 0.00 0.00 27.41 29.33 3ftg h HIS 155 CO -0.02 -0.35 0.28 1.88 -1.30 0.00 0.00 177.93 178.42 3ftg h TYR 156 N -0.23 0.64 -0.32 5.26 0.05 -0.89 -1.15 116.97 120.33 3ftg h TYR 156 Ca 0.17 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 59.02 3ftg h TYR 156 Cb 0.50 -0.21 -0.08 0.00 1.01 0.00 0.00 36.73 37.96 3ftg h TYR 156 CO -0.49 0.46 -0.23 -0.22 -1.05 0.00 0.00 178.16 176.64 3ftg h LYS 157 N 0.63 -0.19 -0.83 4.88 3.64 0.35 0.79 116.57 125.84 3ftg h LYS 157 Ca 0.17 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.67 3ftg h LYS 157 Cb 0.02 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 31.80 3ftg h LYS 157 CO -0.03 -0.12 0.47 0.00 -2.27 0.00 0.00 179.45 177.50 3ftg h ALA 158 N 0.95 1.21 -0.32 5.00 0.00 0.17 0.22 119.26 126.48 3ftg h ALA 158 Ca 0.16 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3ftg h ALA 158 Cb 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3ftg h ALA 158 CO -0.44 0.06 -0.14 -0.92 0.00 0.00 0.00 179.25 177.82 3ftg h TYR 159 N 0.76 0.75 0.74 0.00 3.20 -0.42 -2.88 116.97 119.12 3ftg h TYR 159 Ca 0.41 -0.18 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 3ftg h TYR 159 Cb 0.43 -0.18 0.01 0.00 1.54 0.00 0.00 36.73 38.53 3ftg h TYR 159 CO -0.06 0.87 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.90 3ftg h LEU 160 N 0.42 -0.84 -0.52 2.82 4.07 0.14 -0.52 115.31 120.89 3ftg h LEU 160 Ca 0.07 0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.94 3ftg h LEU 160 Cb 0.66 0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.60 3ftg h LEU 160 CO 0.04 -0.48 -0.09 -0.33 -1.08 0.00 0.00 178.44 176.51 3ftg h GLU 161 N -1.22 0.98 0.00 1.13 5.08 -0.75 -3.33 114.58 116.47 3ftg h GLU 161 Ca -0.10 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3ftg h GLU 161 Cb 0.77 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3ftg h GLU 161 CO 0.17 1.03 0.00 0.41 -1.00 0.00 0.00 179.01 179.62 3ftg n GLY 162 N -0.28 0.84 0.37 -3.84 0.00 -1.09 -4.28 105.19 96.91 3ftg n GLY 162 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 3ftg n GLY 162 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ftg h GLU 163 N 0.00 0.98 -0.69 1.61 3.07 -1.60 -0.45 114.58 117.49 3ftg h GLU 163 Ca 0.00 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.77 3ftg h GLU 163 Cb 0.00 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 27.66 3ftg h GLU 163 CO 0.00 0.65 0.32 0.00 -1.40 0.00 0.00 179.01 178.58 3ftg h VAL 165 N 0.97 1.15 -0.47 0.00 2.07 -1.46 -2.63 116.25 115.89 3ftg h VAL 165 Ca 0.24 -1.04 0.09 0.00 0.82 0.00 0.00 66.70 66.81 3ftg h VAL 165 Cb 0.14 1.80 -0.08 0.00 -1.52 0.00 0.00 31.29 31.63 3ftg h VAL 165 CO -0.03 0.25 -0.07 -0.33 0.02 0.00 0.00 177.57 177.41 3ftg h GLU 166 N -0.61 0.04 -0.14 1.57 5.08 -0.98 0.16 114.58 119.70 3ftg h GLU 166 Ca -0.01 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 3ftg h GLU 166 Cb 0.50 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3ftg h GLU 166 CO 0.02 0.03 -0.72 -1.49 -1.00 0.00 0.00 179.01 175.85 3ftg h TRP 167 N 0.04 0.86 -0.32 4.33 4.06 -1.35 -3.07 115.95 120.52 3ftg h TRP 167 Ca 0.23 -0.37 -0.07 0.00 2.06 0.00 0.00 58.89 60.74 3ftg h TRP 167 Cb 0.35 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.36 3ftg h TRP 167 CO -0.36 1.16 -0.08 1.25 -3.56 0.00 0.00 178.44 176.85 3ftg h LEU 168 N 0.45 0.62 -1.43 -4.49 5.85 -1.10 0.11 115.31 115.32 3ftg h LEU 168 Ca -0.03 -0.37 0.19 0.00 0.84 0.00 0.00 57.88 58.51 3ftg h LEU 168 Cb 1.32 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 3ftg h LEU 168 CO 0.14 0.84 0.84 0.45 -0.34 0.00 0.00 178.44 180.37 3ftg h HIS 169 N 0.39 0.00 0.00 1.25 3.86 -0.69 -1.63 115.15 118.33 3ftg h HIS 169 Ca 0.08 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.97 3ftg h HIS 169 Cb 0.58 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.00 3ftg h HIS 169 CO 0.05 0.00 -1.87 -2.13 0.86 0.00 0.00 177.93 174.85 3ftg n ARG 170 N -3.36 0.57 -0.22 2.45 0.63 -0.58 -3.66 116.66 112.49 3ftg n ARG 170 Ca 0.14 0.38 0.19 0.00 -0.92 0.00 0.00 57.85 57.64 3ftg n ARG 170 Cb 1.06 -1.58 0.53 0.00 0.45 0.00 0.00 32.46 32.92 3ftg n ARG 170 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 3ftg h TYR 171 N -1.00 0.48 -0.17 -0.14 0.05 -0.50 -0.27 116.97 115.42 3ftg h TYR 171 Ca -0.48 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.30 3ftg h TYR 171 Cb 1.39 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.98 3ftg h TYR 171 CO -0.07 0.13 0.08 -0.07 -1.05 0.00 0.00 178.16 177.18 3ftg h LEU 172 N 0.37 0.23 -0.57 3.88 3.38 -1.46 -2.44 115.31 118.70 3ftg h LEU 172 Ca 0.45 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3ftg h LEU 172 Cb 1.17 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3ftg h LEU 172 CO -0.15 0.31 0.00 0.29 0.09 0.00 0.00 178.44 178.98 3ftg n LYS 173 N -4.87 0.12 -0.00 1.13 5.02 -0.19 -3.25 118.16 116.11 3ftg n LYS 173 Ca -0.04 0.42 0.10 0.00 -2.02 0.00 0.00 58.31 56.77 3ftg n LYS 173 Cb 0.11 -1.75 -0.13 0.00 -0.02 0.00 0.00 35.03 33.24 3ftg n LYS 173 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ftg n ASN 174 N -1.98 0.76 -2.75 4.39 5.03 -0.73 -4.79 115.26 115.20 3ftg n ASN 174 Ca 0.02 -0.72 -0.09 0.00 0.87 0.00 0.00 54.58 54.65 3ftg n ASN 174 Cb 0.16 1.26 0.08 0.00 -1.02 0.00 0.00 39.78 40.25 3ftg n ASN 174 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ftg n GLY 175 N 1.43 0.59 0.64 7.41 0.00 -1.12 -4.89 105.19 109.25 3ftg n GLY 175 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3ftg n GLY 175 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ftg n ASN 176 N 0.58 1.50 0.27 1.61 5.03 -1.25 -3.85 115.26 119.14 3ftg n ASN 176 Ca 0.07 -2.03 -0.13 0.00 0.87 0.00 0.00 54.58 53.36 3ftg n ASN 176 Cb 0.69 -0.51 -0.07 0.00 -1.02 0.00 0.00 39.78 38.87 3ftg n ASN 176 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ftg h ALA 177 N 2.04 -0.72 -0.74 5.41 0.00 -1.94 -3.38 119.26 119.94 3ftg h ALA 177 Ca 0.00 -0.19 -0.51 0.00 0.00 0.00 0.00 54.91 54.22 3ftg h ALA 177 Cb 0.64 0.28 -0.43 0.00 0.00 0.00 0.00 17.79 18.28 3ftg h ALA 177 CO 0.02 -0.71 -0.86 2.41 0.00 0.00 0.00 179.25 180.10 3ftg n THR 178 N -5.27 2.33 0.00 0.00 -1.04 -1.26 -4.81 114.28 104.23 3ftg n THR 178 Ca -0.10 -4.06 0.00 0.00 -2.04 0.00 0.00 64.05 57.85 3ftg n THR 178 Cb 0.31 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 68.04 3ftg n THR 178 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3ftg n LEU 179 N -0.68 0.00 0.28 -4.42 4.77 -1.25 -4.94 117.00 110.76 3ftg n LEU 179 Ca 0.38 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.51 3ftg n LEU 179 Cb 0.93 0.00 0.81 0.00 -2.33 0.00 0.00 43.42 42.83 3ftg n LEU 179 CO 0.35 0.00 1.03 -0.07 -1.33 0.00 0.00 177.39 177.37 3ftg h LEU 180 N 0.00 0.00 -7.68 2.23 3.38 -1.83 -3.32 115.31 108.09 3ftg h LEU 180 Ca 0.00 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.24 3ftg h LEU 180 Cb 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.59 3ftg h LEU 180 CO 0.00 0.08 1.56 0.54 0.09 0.00 0.00 178.44 180.71 3ftg n ARG 181 N -3.58 3.34 -2.61 1.13 5.12 -1.26 -5.00 116.66 113.80 3ftg n ARG 181 Ca -0.02 -3.72 -0.40 0.00 -1.93 0.00 0.00 57.85 51.78 3ftg n ARG 181 Cb 0.20 -3.12 -0.05 0.00 -1.16 0.00 0.00 32.46 28.32 3ftg n ARG 181 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3ftg s THR 182 N 2.02 3.79 0.34 0.55 -4.23 -1.25 -4.92 115.64 111.93 3ftg s THR 182 Ca 0.45 1.76 0.09 0.00 -1.18 0.00 0.00 61.69 62.81 3ftg s THR 182 Cb -0.01 -4.11 -0.05 0.00 1.34 0.00 0.00 72.50 69.67 3ftg s THR 182 CO 0.02 0.39 0.03 1.51 -0.54 0.00 0.00 174.62 176.03 3ftg s ASP 183 N -1.08 4.24 0.11 3.99 -4.77 -1.21 -5.01 116.67 112.95 3ftg s ASP 183 Ca 0.44 -0.96 0.03 0.00 -3.30 0.00 0.00 52.55 48.76 3ftg s ASP 183 Cb -0.28 -0.56 -0.04 0.00 -1.09 0.00 0.00 42.92 40.95 3ftg s ASP 183 CO 0.36 -0.24 -0.08 -0.94 0.70 0.00 0.00 175.17 174.97 3ftg s SER 184 N -3.73 1.29 0.39 2.11 1.04 -1.26 -1.07 113.70 112.47 3ftg s SER 184 Ca 0.35 -0.97 -0.27 0.00 0.48 0.00 0.00 55.95 55.54 3ftg s SER 184 Cb -0.00 0.06 -0.10 0.00 0.10 0.00 0.00 66.02 66.08 3ftg s SER 184 CO 0.20 -0.41 1.40 -2.16 0.98 0.00 0.00 173.24 173.25 3ftg s PRO 185 N -3.60 4.04 -0.36 4.02 0.04 -1.26 -4.54 135.00 133.33 3ftg s PRO 185 Ca 0.11 2.38 -0.07 0.00 0.04 0.00 0.00 61.00 63.45 3ftg s PRO 185 Cb 0.03 -2.88 0.05 0.00 0.04 0.00 0.00 34.50 31.74 3ftg s PRO 185 CO -0.03 -0.51 0.15 0.15 0.04 0.00 0.00 177.00 176.80 3ftg s LYS 186 N -2.14 2.62 0.37 4.56 3.01 0.49 -4.88 119.74 123.78 3ftg s LYS 186 Ca 0.55 -1.24 0.02 0.00 -1.01 0.00 0.00 55.97 54.29 3ftg s LYS 186 Cb -0.43 -3.56 -0.02 0.00 -1.01 0.00 0.00 37.83 32.82 3ftg s LYS 186 CO 0.57 -0.74 0.56 0.00 0.51 0.00 0.00 175.35 176.25 3ftg s ALA 187 N 1.42 3.85 -0.14 5.17 0.00 -1.26 -2.51 121.76 128.30 3ftg s ALA 187 Ca -0.00 -1.11 -0.34 0.00 0.00 0.00 0.00 51.96 50.51 3ftg s ALA 187 Cb -0.20 -1.99 0.14 0.00 0.00 0.00 0.00 23.12 21.07 3ftg s ALA 187 CO 0.03 -0.14 1.37 -3.38 0.00 0.00 0.00 175.76 173.64 3ftg s HIS 188 N -2.34 -0.03 0.05 0.00 -3.43 -1.04 -4.98 115.29 103.52 3ftg s HIS 188 Ca 0.44 -0.00 0.08 0.00 -0.80 0.00 0.00 55.06 54.77 3ftg s HIS 188 Cb -0.10 0.51 -0.03 0.00 -1.43 0.00 0.00 32.58 31.54 3ftg s HIS 188 CO 0.35 -0.10 -0.22 0.08 -2.00 0.00 0.00 174.74 172.86 3ftg s VAL 189 N -2.16 2.52 -0.20 -5.38 1.01 -1.26 -1.18 120.40 113.75 3ftg s VAL 189 Ca 0.13 -1.30 0.04 0.00 0.00 0.00 0.00 61.98 60.84 3ftg s VAL 189 Cb 0.04 -2.04 -0.15 0.00 0.00 0.00 0.00 36.38 34.23 3ftg s VAL 189 CO -0.05 0.33 -0.15 0.35 0.00 0.00 0.00 175.10 175.58 3ftg n THR 190 N 1.57 1.20 -2.12 3.92 -2.24 -1.26 -4.86 114.28 110.49 3ftg n THR 190 Ca -0.17 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3ftg n THR 190 Cb 0.52 -1.15 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 3ftg n THR 190 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3ftg n ARG 202 N -3.04 -4.61 -4.64 -0.78 0.63 -1.24 -5.12 116.66 97.85 3ftg n ARG 202 Ca -0.36 3.39 -0.34 0.00 -0.92 0.00 0.00 57.85 59.63 3ftg n ARG 202 Cb 0.92 -4.10 -0.11 0.00 0.45 0.00 0.00 32.46 29.61 3ftg n ARG 202 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ftg s TRP 204 N -0.82 2.97 -0.18 0.00 0.52 -0.32 -2.24 118.94 118.87 3ftg s TRP 204 Ca 0.13 -0.23 -0.07 0.00 0.02 0.00 0.00 56.10 55.94 3ftg s TRP 204 Cb -0.11 -1.86 -0.04 0.00 -1.15 0.00 0.00 33.47 30.31 3ftg s TRP 204 CO 0.02 0.07 0.06 0.00 0.02 0.00 0.00 176.95 177.13 3ftg s ALA 205 N -0.05 3.41 0.05 0.98 0.00 -0.16 -2.49 121.76 123.50 3ftg s ALA 205 Ca 0.01 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.26 3ftg s ALA 205 Cb -0.13 -1.92 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 3ftg s ALA 205 CO 0.03 0.18 -0.11 -0.51 0.00 0.00 0.00 175.76 175.35 3ftg s LEU 206 N 0.37 2.23 0.00 0.00 1.43 -1.05 -2.19 118.68 119.48 3ftg s LEU 206 Ca 0.03 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3ftg s LEU 206 Cb -0.12 -0.37 0.00 0.00 0.03 0.00 0.00 46.19 45.73 3ftg s LEU 206 CO 0.00 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.09 3ftg n GLY 207 N 1.58 0.75 3.88 -3.19 0.00 -1.08 -0.38 105.19 106.75 3ftg n GLY 207 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 3ftg n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ftg s PHE 208 N -2.51 3.52 -0.21 1.61 -0.12 -1.21 -4.37 117.98 114.68 3ftg s PHE 208 Ca 0.00 1.02 -0.15 0.00 -0.05 0.00 0.00 56.93 57.76 3ftg s PHE 208 Cb 0.00 -2.45 0.06 0.00 -0.63 0.00 0.00 43.02 40.00 3ftg s PHE 208 CO 0.00 -0.24 0.54 -0.47 -0.05 0.00 0.00 175.22 175.00 3ftg s TYR 209 N -2.59 -0.73 0.84 3.49 5.04 -0.23 -1.46 117.35 121.71 3ftg s TYR 209 Ca 0.51 1.59 -0.14 0.00 -2.44 0.00 0.00 57.07 56.59 3ftg s TYR 209 Cb -0.10 0.35 0.20 0.00 0.35 0.00 0.00 41.96 42.76 3ftg s TYR 209 CO 0.38 -0.37 0.85 -2.30 -1.34 0.00 0.00 175.55 172.76 3ftg n PRO 210 N 3.72 -2.07 0.03 4.97 -0.02 -1.26 -3.29 135.00 137.08 3ftg n PRO 210 Ca -0.19 -1.34 0.12 0.00 -2.02 0.00 0.00 63.50 60.07 3ftg n PRO 210 Cb 0.57 -1.13 0.50 0.00 -0.02 0.00 0.00 33.50 33.42 3ftg n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ftg n ALA 211 N -4.14 2.11 -2.34 3.55 0.00 -1.26 -4.80 120.51 113.63 3ftg n ALA 211 Ca -0.15 -0.06 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 3ftg n ALA 211 Cb 0.43 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 3ftg n ALA 211 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ftg s ASP 212 N -3.36 6.89 -0.04 0.00 1.01 -1.26 -4.97 116.67 114.94 3ftg s ASP 212 Ca 0.11 1.79 -0.29 0.00 0.71 0.00 0.00 52.55 54.87 3ftg s ASP 212 Cb 0.15 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.61 3ftg s ASP 212 CO 0.47 -0.80 0.63 -0.51 0.21 0.00 0.00 175.17 175.18 3ftg s ILE 213 N 3.61 0.01 -0.00 0.77 2.07 -1.26 -4.41 121.20 121.98 3ftg s ILE 213 Ca 0.58 -0.06 0.03 0.00 -1.41 0.00 0.00 60.65 59.80 3ftg s ILE 213 Cb -0.24 -0.95 -0.01 0.00 0.13 0.00 0.00 42.46 41.39 3ftg s ILE 213 CO 0.17 -0.03 -0.11 -0.89 -1.91 0.00 0.00 174.94 172.17 3ftg s THR 214 N -1.25 0.85 0.10 4.00 2.01 -0.78 -5.01 115.64 115.57 3ftg s THR 214 Ca -0.11 -0.54 0.09 0.00 0.31 0.00 0.00 61.69 61.44 3ftg s THR 214 Cb -0.01 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 3ftg s THR 214 CO 0.09 0.18 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.21 3ftg s LEU 215 N -0.41 2.29 0.07 4.42 1.43 -1.26 -0.76 118.68 124.46 3ftg s LEU 215 Ca 0.03 -0.69 -0.04 0.00 -1.03 0.00 0.00 54.13 52.40 3ftg s LEU 215 Cb -0.05 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.13 3ftg s LEU 215 CO -0.00 0.12 0.08 0.42 0.23 0.00 0.00 176.35 177.19 3ftg s THR 216 N -1.08 0.18 -0.05 5.49 -4.23 -0.71 -4.97 115.64 110.27 3ftg s THR 216 Ca 0.09 -1.54 0.02 0.00 -1.18 0.00 0.00 61.69 59.09 3ftg s THR 216 Cb -0.10 -1.49 0.01 0.00 1.34 0.00 0.00 72.50 72.27 3ftg s THR 216 CO 0.04 -0.80 -0.11 0.26 -0.54 0.00 0.00 174.62 173.47 3ftg s TRP 217 N -3.90 1.32 0.00 3.99 0.52 -1.26 -1.69 118.94 117.92 3ftg s TRP 217 Ca 0.07 -0.44 0.05 0.00 0.02 0.00 0.00 56.10 55.80 3ftg s TRP 217 Cb 0.07 -0.97 -0.01 0.00 -1.15 0.00 0.00 33.47 31.40 3ftg s TRP 217 CO -0.09 -0.23 -0.15 1.14 0.02 0.00 0.00 176.95 177.64 3ftg s GLN 218 N 0.55 1.14 -0.04 4.98 -2.07 -0.64 -4.92 119.66 118.65 3ftg s GLN 218 Ca -0.11 -0.61 -0.04 0.00 -1.82 0.00 0.00 55.36 52.77 3ftg s GLN 218 Cb -0.14 -1.12 -0.03 0.00 -1.09 0.00 0.00 33.01 30.63 3ftg s GLN 218 CO 0.03 0.30 -0.10 -0.11 -1.32 0.00 0.00 175.29 174.09 3ftg n LEU 219 N 2.46 0.85 -1.64 2.60 0.00 -1.26 -2.05 117.00 117.95 3ftg n LEU 219 Ca -0.15 0.13 -0.00 0.00 0.00 0.00 0.00 56.01 55.98 3ftg n LEU 219 Cb 0.55 -0.31 0.00 0.00 0.00 0.00 0.00 43.42 43.65 3ftg n LEU 219 CO 0.24 -0.14 0.02 -1.84 0.00 0.00 0.00 177.39 175.67 3ftg n GLU 229 N -3.51 -0.19 -2.84 1.96 0.00 -1.26 -4.96 120.64 109.83 3ftg n GLU 229 Ca -0.11 0.64 -0.42 0.00 0.00 0.00 0.00 57.16 57.27 3ftg n GLU 229 Cb 0.43 -1.92 -0.04 0.00 0.00 0.00 0.00 31.44 29.91 3ftg n GLU 229 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 3ftg s LEU 230 N -1.60 4.12 0.10 -1.84 0.05 -1.26 -4.46 118.68 113.78 3ftg s LEU 230 Ca 0.01 1.16 -0.27 0.00 0.05 0.00 0.00 54.13 55.08 3ftg s LEU 230 Cb -0.00 -3.28 -0.06 0.00 -2.05 0.00 0.00 46.19 40.80 3ftg s LEU 230 CO 0.08 -0.50 0.83 -0.69 -0.55 0.00 0.00 176.35 175.52 3ftg s VAL 231 N 2.66 4.56 0.30 1.48 1.01 -1.14 -5.05 120.40 124.23 3ftg s VAL 231 Ca 0.38 1.80 -0.27 0.00 0.00 0.00 0.00 61.98 63.88 3ftg s VAL 231 Cb -0.16 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 31.94 3ftg s VAL 231 CO 0.09 0.39 0.99 -1.61 0.00 0.00 0.00 175.10 174.95 3ftg s GLU 232 N -0.30 4.61 0.50 2.72 0.41 -1.26 -4.56 118.70 120.82 3ftg s GLU 232 Ca 0.41 1.49 -0.22 0.00 -0.41 0.00 0.00 54.97 56.23 3ftg s GLU 232 Cb -0.22 -2.97 -0.07 0.00 -1.78 0.00 0.00 34.13 29.09 3ftg s GLU 232 CO 0.26 0.27 1.15 2.41 -0.49 0.00 0.00 175.26 178.86 3ftg n THR 233 N 0.84 3.13 -3.72 3.63 -1.04 -1.26 -4.86 114.28 111.00 3ftg n THR 233 Ca 0.01 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.05 61.40 3ftg n THR 233 Cb 0.48 -1.38 -0.11 0.00 -1.82 0.00 0.00 70.33 67.50 3ftg n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ftg s ARG 234 N -2.47 0.37 0.38 -2.82 1.70 -0.97 -4.98 118.95 110.16 3ftg s ARG 234 Ca 0.68 0.63 -0.28 0.00 -0.47 0.00 0.00 55.73 56.29 3ftg s ARG 234 Cb -0.47 0.06 -0.10 0.00 -0.57 0.00 0.00 34.95 33.86 3ftg s ARG 234 CO 0.53 -0.11 1.39 -1.25 -1.08 0.00 0.00 175.30 174.77 3ftg s PRO 235 N 0.87 4.11 -0.03 3.89 0.04 -1.26 -2.25 135.00 140.37 3ftg s PRO 235 Ca -0.06 2.36 0.21 0.00 0.04 0.00 0.00 61.00 63.56 3ftg s PRO 235 Cb -0.06 -2.92 0.66 0.00 0.04 0.00 0.00 34.50 32.21 3ftg s PRO 235 CO -0.07 -0.45 1.56 0.00 0.04 0.00 0.00 177.00 178.08 3ftg n ALA 236 N 0.42 2.53 0.00 8.56 0.00 -0.27 -4.91 120.51 126.84 3ftg n ALA 236 Ca 0.02 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 52.09 3ftg n ALA 236 Cb 0.41 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3ftg n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ftg n GLY 237 N 1.51 3.09 1.00 0.00 0.00 -1.26 -4.76 105.19 104.76 3ftg n GLY 237 Ca 0.25 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.39 3ftg n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ftg n ASP 238 N 0.11 3.09 0.00 1.61 5.75 -1.26 -4.94 116.55 120.90 3ftg n ASP 238 Ca 0.00 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 3ftg n ASP 238 Cb 0.00 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 3ftg n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ftg n GLY 239 N 1.38 2.23 4.01 6.12 0.00 -1.26 -5.10 105.19 112.58 3ftg n GLY 239 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 3ftg n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ftg s THR 240 N -2.40 2.72 0.32 2.61 -4.23 -1.26 -4.88 115.64 108.51 3ftg s THR 240 Ca 0.00 -0.92 0.05 0.00 -1.18 0.00 0.00 61.69 59.64 3ftg s THR 240 Cb 0.00 -2.79 -0.06 0.00 1.34 0.00 0.00 72.50 70.98 3ftg s THR 240 CO 0.00 0.00 0.02 -0.36 -0.54 0.00 0.00 174.62 173.74 3ftg s PHE 241 N -2.53 2.01 0.03 3.99 0.40 -0.54 -1.12 117.98 120.22 3ftg s PHE 241 Ca 0.57 -0.85 -0.11 0.00 -0.60 0.00 0.00 56.93 55.94 3ftg s PHE 241 Cb -0.09 -1.28 0.01 0.00 0.51 0.00 0.00 43.02 42.17 3ftg s PHE 241 CO 0.36 0.13 0.24 1.14 0.70 0.00 0.00 175.22 177.79 3ftg s GLN 242 N -3.83 0.69 0.08 0.44 -2.07 -0.96 -2.64 119.66 111.38 3ftg s GLN 242 Ca 0.34 -0.48 -0.13 0.00 -1.82 0.00 0.00 55.36 53.27 3ftg s GLN 242 Cb 0.07 0.30 0.02 0.00 -1.09 0.00 0.00 33.01 32.31 3ftg s GLN 242 CO 0.15 -0.20 0.31 0.21 -1.32 0.00 0.00 175.29 174.43 3ftg s LYS 243 N -2.17 0.90 0.17 9.60 2.20 -0.93 -2.30 119.74 127.21 3ftg s LYS 243 Ca -0.08 -0.66 -0.09 0.00 -0.36 0.00 0.00 55.97 54.79 3ftg s LYS 243 Cb -0.03 0.39 -0.01 0.00 -1.51 0.00 0.00 37.83 36.67 3ftg s LYS 243 CO -0.01 -0.31 0.29 1.67 -0.36 0.00 0.00 175.35 176.62 3ftg s TRP 244 N -3.20 0.42 -0.04 4.03 1.48 -1.26 -0.99 118.94 119.39 3ftg s TRP 244 Ca -0.00 -0.78 -0.27 0.00 -1.06 0.00 0.00 56.10 53.99 3ftg s TRP 244 Cb 0.01 -0.06 0.06 0.00 -1.16 0.00 0.00 33.47 32.32 3ftg s TRP 244 CO -0.07 -0.73 0.58 0.00 -4.06 0.00 0.00 176.95 172.67 3ftg s ALA 245 N -3.97 -1.50 0.04 2.67 0.00 -0.95 -2.89 121.76 115.15 3ftg s ALA 245 Ca 0.18 1.03 0.09 0.00 0.00 0.00 0.00 51.96 53.26 3ftg s ALA 245 Cb 0.03 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 3ftg s ALA 245 CO 0.01 -0.35 -0.26 -1.54 0.00 0.00 0.00 175.76 173.62 3ftg s SER 246 N -1.27 3.22 0.56 0.00 1.04 -1.26 0.22 113.70 116.21 3ftg s SER 246 Ca -0.11 -0.56 0.25 0.00 0.48 0.00 0.00 55.95 56.01 3ftg s SER 246 Cb -0.01 -0.33 1.57 0.00 0.10 0.00 0.00 66.02 67.35 3ftg s SER 246 CO 0.08 0.27 2.16 1.56 0.98 0.00 0.00 173.24 178.28 3ftg h GLN 255 N 4.85 0.00 0.44 4.02 1.08 -2.02 -3.44 115.11 120.03 3ftg h GLN 255 Ca -0.46 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.73 3ftg h GLN 255 Cb 1.14 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.54 3ftg h GLN 255 CO 0.44 0.00 -0.50 -0.91 -0.95 0.00 0.00 178.83 176.91 3ftg h ASN 256 N 0.00 -1.39 -2.59 1.46 4.21 -1.99 -3.41 115.58 111.86 3ftg h ASN 256 Ca 0.05 0.12 -0.53 0.00 1.21 0.00 0.00 56.30 57.15 3ftg h ASN 256 Cb 0.24 0.47 0.03 0.00 -1.12 0.00 0.00 38.32 37.94 3ftg h ASN 256 CO -0.00 -0.64 1.07 -0.31 -1.29 0.00 0.00 177.43 176.26 3ftg s TYR 257 N -5.87 2.22 0.03 1.19 1.51 -1.24 -4.55 117.35 110.65 3ftg s TYR 257 Ca -0.18 0.10 0.04 0.00 -1.01 0.00 0.00 57.07 56.03 3ftg s TYR 257 Cb 0.05 -4.09 -0.02 0.00 -0.11 0.00 0.00 41.96 37.79 3ftg s TYR 257 CO 0.61 -4.47 -0.12 0.95 -1.11 0.00 0.00 175.55 171.41 3ftg s THR 258 N 2.78 0.95 -0.20 -0.71 -4.23 -0.87 -4.92 115.64 108.44 3ftg s THR 258 Ca 0.78 -0.87 -0.10 0.00 -1.18 0.00 0.00 61.69 60.32 3ftg s THR 258 Cb -0.43 -0.87 -0.05 0.00 1.34 0.00 0.00 72.50 72.49 3ftg s THR 258 CO 0.35 0.00 0.13 0.00 -0.54 0.00 0.00 174.62 174.56 3ftg s ARG 260 N 0.32 2.56 -0.12 0.00 0.52 -0.68 -2.02 118.95 119.52 3ftg s ARG 260 Ca 0.08 -0.69 0.02 0.00 -0.52 0.00 0.00 55.73 54.63 3ftg s ARG 260 Cb -0.11 -2.48 -0.00 0.00 0.52 0.00 0.00 34.95 32.88 3ftg s ARG 260 CO -0.02 0.62 -0.20 0.08 0.02 0.00 0.00 175.30 175.80 3ftg s VAL 261 N -0.90 2.38 -0.11 3.52 1.01 -0.47 -1.73 120.40 124.10 3ftg s VAL 261 Ca 0.15 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.25 3ftg s VAL 261 Cb -0.11 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 3ftg s VAL 261 CO 0.05 0.55 -0.17 -0.31 0.00 0.00 0.00 175.10 175.21 3ftg s TYR 262 N 0.42 2.71 -0.17 5.22 1.51 0.06 -1.96 117.35 125.15 3ftg s TYR 262 Ca -0.15 -0.72 -0.24 0.00 -1.01 0.00 0.00 57.07 54.95 3ftg s TYR 262 Cb -0.17 -1.78 0.06 0.00 -0.11 0.00 0.00 41.96 39.97 3ftg s TYR 262 CO 0.06 -0.23 0.63 -1.58 -1.11 0.00 0.00 175.55 173.32 3ftg s HIS 263 N 0.23 -0.65 0.57 2.71 2.46 -1.26 -1.87 115.29 117.48 3ftg s HIS 263 Ca -0.11 1.43 0.41 0.00 0.47 0.00 0.00 55.06 57.26 3ftg s HIS 263 Cb -0.16 0.28 1.48 0.00 -0.13 0.00 0.00 32.58 34.05 3ftg s HIS 263 CO 0.06 -0.43 1.55 0.93 -2.47 0.00 0.00 174.74 174.39 3ftg h GLU 264 N 4.38 0.00 -0.01 2.88 5.08 -1.94 -2.10 114.58 122.87 3ftg h GLU 264 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3ftg h GLU 264 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3ftg h GLU 264 CO 0.21 0.00 -0.24 0.41 -1.00 0.00 0.00 179.01 178.39 3ftg n GLY 265 N -1.83 -0.13 3.68 -3.84 0.00 -1.26 -4.95 105.19 96.87 3ftg n GLY 265 Ca 0.34 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3ftg n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ftg s LEU 266 N -1.73 4.25 0.00 0.99 1.02 -0.79 -4.86 118.68 117.55 3ftg s LEU 266 Ca 0.09 1.64 0.00 0.00 0.02 0.00 0.00 54.13 55.88 3ftg s LEU 266 Cb 0.09 -3.56 0.00 0.00 0.02 0.00 0.00 46.19 42.74 3ftg s LEU 266 CO 0.29 -0.53 1.09 -0.81 0.02 0.00 0.00 176.35 176.41 3ftg n PRO 267 N 5.22 0.94 0.00 1.29 -0.05 -1.26 -4.60 135.00 136.54 3ftg n PRO 267 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.55 3ftg n PRO 267 Cb 0.47 -1.03 0.00 0.00 -0.05 0.00 0.00 33.50 32.89 3ftg n PRO 267 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 3ftg n GLU 268 N 0.68 0.00 -1.38 0.54 4.07 -1.26 -5.15 120.64 118.15 3ftg n GLU 268 Ca 0.00 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.72 3ftg n GLU 268 Cb 0.47 0.00 0.04 0.00 -0.06 0.00 0.00 31.44 31.89 3ftg n GLU 268 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 3ftg n PRO 269 N 0.00 0.36 -3.84 5.31 -0.02 -1.26 -4.99 135.00 130.56 3ftg n PRO 269 Ca 0.00 0.15 -0.35 0.00 -2.02 0.00 0.00 63.50 61.28 3ftg n PRO 269 Cb 0.00 -1.57 -0.05 0.00 -0.02 0.00 0.00 33.50 31.85 3ftg n PRO 269 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ftg s LEU 270 N 1.57 4.38 -0.03 2.45 0.20 -0.83 -4.94 118.68 121.49 3ftg s LEU 270 Ca 0.65 0.46 0.02 0.00 0.69 0.00 0.00 54.13 55.96 3ftg s LEU 270 Cb -0.43 -2.47 0.00 0.00 -0.43 0.00 0.00 46.19 42.86 3ftg s LEU 270 CO 0.58 0.30 -0.09 -0.89 -0.29 0.00 0.00 176.35 175.97 3ftg s THR 271 N -1.22 0.76 0.19 3.68 2.01 -1.26 -1.37 115.64 118.43 3ftg s THR 271 Ca 0.24 -0.35 -0.23 0.00 0.31 0.00 0.00 61.69 61.65 3ftg s THR 271 Cb -0.13 -0.68 0.05 0.00 0.01 0.00 0.00 72.50 71.76 3ftg s THR 271 CO 0.13 0.24 0.73 -1.48 -0.69 0.00 0.00 174.62 173.55 3ftg s LEU 272 N 0.19 -0.37 0.00 4.42 -0.00 -0.86 -5.03 118.68 117.04 3ftg s LEU 272 Ca -0.03 -0.29 0.00 0.00 -0.00 0.00 0.00 54.13 53.81 3ftg s LEU 272 Cb -0.08 2.52 0.00 0.00 -0.00 0.00 0.00 46.19 48.63 3ftg s LEU 272 CO 0.00 -1.07 0.00 -1.14 -0.00 0.00 0.00 176.35 174.14 3ftg n ARG 273 N -0.41 0.00 0.00 1.48 0.00 -1.26 -1.76 116.66 114.71 3ftg n ARG 273 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 3ftg n ARG 273 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.08 3ftg n ARG 273 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 3ftg n TRP 274 N -2.40 -0.37 -0.56 -0.14 8.01 -1.26 -4.56 117.44 116.15 3ftg n TRP 274 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 3ftg n TRP 274 Cb 0.00 0.10 0.00 0.00 -2.01 0.00 0.00 31.31 29.40 3ftg n TRP 274 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77