#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fg9 h ASN 3 N 0.00 -1.44 -0.42 4.31 -0.73 -2.09 -2.74 115.58 112.47 3fg9 h ASN 3 Ca 0.00 0.19 -0.03 0.00 1.87 0.00 0.00 56.30 58.33 3fg9 h ASN 3 Cb 0.00 0.59 -0.02 0.00 0.27 0.00 0.00 38.32 39.17 3fg9 h ASN 3 CO 0.00 -0.42 0.13 -0.61 -0.37 0.00 0.00 177.43 176.17 3fg9 h GLN 4 N -0.45 0.64 -1.96 6.67 4.15 -2.11 -3.04 115.11 119.01 3fg9 h GLN 4 Ca 0.09 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3fg9 h GLN 4 Cb 0.62 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.22 3fg9 h GLN 4 CO -0.46 0.63 0.00 1.17 -1.93 0.00 0.00 178.83 178.24 3fg9 n LYS 5 N -4.59 0.00 0.00 1.69 4.81 -1.04 -3.09 118.16 115.95 3fg9 n LYS 5 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3fg9 n LYS 5 Cb 0.18 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 33.77 3fg9 n LYS 5 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3fg9 n GLN 7 N 1.09 0.00 -1.95 1.64 1.13 -1.15 -4.95 117.38 113.18 3fg9 n GLN 7 Ca 0.00 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 3fg9 n GLN 7 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.32 3fg9 n GLN 7 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3fg9 s GLU 8 N 0.00 4.22 0.80 -1.09 2.12 -1.18 -4.95 118.70 118.63 3fg9 s GLU 8 Ca 0.00 2.33 -0.14 0.00 0.36 0.00 0.00 54.97 57.52 3fg9 s GLU 8 Cb 0.00 -3.25 0.07 0.00 0.26 0.00 0.00 34.13 31.21 3fg9 s GLU 8 CO 0.00 -0.62 1.14 -2.30 -0.54 0.00 0.00 175.26 172.95 3fg9 n PRO 9 N 4.29 0.20 -3.92 4.30 -0.02 -1.26 -5.02 135.00 133.58 3fg9 n PRO 9 Ca 0.14 0.14 -0.27 0.00 -2.02 0.00 0.00 63.50 61.50 3fg9 n PRO 9 Cb 0.39 -2.39 -0.17 0.00 -0.02 0.00 0.00 33.50 31.31 3fg9 n PRO 9 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3fg9 s LEU 10 N -5.17 1.19 -0.08 2.45 0.20 -1.26 -5.11 118.68 110.90 3fg9 s LEU 10 Ca 0.73 -0.30 0.02 0.00 0.69 0.00 0.00 54.13 55.27 3fg9 s LEU 10 Cb -0.30 -0.84 0.01 0.00 -0.43 0.00 0.00 46.19 44.64 3fg9 s LEU 10 CO 0.51 -0.12 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.63 3fg9 s VAL 11 N 1.69 1.29 0.21 1.68 1.01 -1.26 -5.12 120.40 119.90 3fg9 s VAL 11 Ca 0.05 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 3fg9 s VAL 11 Cb -0.13 -1.17 -0.08 0.00 0.00 0.00 0.00 36.38 35.00 3fg9 s VAL 11 CO -0.08 0.39 1.21 -0.31 0.00 0.00 0.00 175.10 176.32 3fg9 s TYR 12 N 0.74 3.39 -0.09 5.22 2.02 -1.26 -4.95 117.35 122.41 3fg9 s TYR 12 Ca -0.13 1.42 0.21 0.00 -0.37 0.00 0.00 57.07 58.20 3fg9 s TYR 12 Cb -0.16 -3.46 -0.26 0.00 -0.40 0.00 0.00 41.96 37.68 3fg9 s TYR 12 CO 0.03 -1.29 0.54 0.54 -1.57 0.00 0.00 175.55 173.80 3fg9 n ARG 13 N 2.26 0.65 -3.57 -0.62 5.12 -1.26 -4.90 116.66 114.35 3fg9 n ARG 13 Ca 0.04 -0.10 -0.12 0.00 -1.93 0.00 0.00 57.85 55.74 3fg9 n ARG 13 Cb 0.44 -1.59 -0.11 0.00 -1.16 0.00 0.00 32.46 30.04 3fg9 n ARG 13 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3fg9 s ARG 14 N -3.32 0.23 -0.16 5.56 0.52 -1.26 -3.87 118.95 116.65 3fg9 s ARG 14 Ca -0.07 0.68 -0.04 0.00 -0.52 0.00 0.00 55.73 55.78 3fg9 s ARG 14 Cb 0.12 -0.24 -0.03 0.00 0.52 0.00 0.00 34.95 35.32 3fg9 s ARG 14 CO 0.87 -0.41 -0.03 0.42 0.02 0.00 0.00 175.30 176.17 3fg9 s ILE 15 N 2.47 3.96 -0.25 1.52 -1.09 -0.35 -1.13 121.20 126.33 3fg9 s ILE 15 Ca 0.04 -0.33 -0.02 0.00 -2.23 0.00 0.00 60.65 58.10 3fg9 s ILE 15 Cb -0.13 -2.74 0.02 0.00 -1.58 0.00 0.00 42.46 38.03 3fg9 s ILE 15 CO -0.11 0.49 -0.04 -0.22 -1.23 0.00 0.00 174.94 173.82 3fg9 s LEU 16 N 0.37 3.25 -0.25 2.97 2.96 -0.33 -0.66 118.68 126.98 3fg9 s LEU 16 Ca -0.04 -0.82 -0.11 0.00 -0.22 0.00 0.00 54.13 52.94 3fg9 s LEU 16 Cb -0.14 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 3fg9 s LEU 16 CO 0.03 -0.13 0.20 -0.22 -1.32 0.00 0.00 176.35 174.90 3fg9 s LEU 17 N 1.36 4.08 -0.20 -0.68 2.96 0.08 -0.13 118.68 126.15 3fg9 s LEU 17 Ca 0.01 0.10 -0.09 0.00 -0.22 0.00 0.00 54.13 53.93 3fg9 s LEU 17 Cb -0.17 -2.15 -0.05 0.00 0.50 0.00 0.00 46.19 44.33 3fg9 s LEU 17 CO -0.04 0.00 0.11 -0.89 -1.32 0.00 0.00 176.35 174.22 3fg9 s THR 18 N 1.36 5.11 0.11 3.68 2.01 -0.33 -0.44 115.64 127.15 3fg9 s THR 18 Ca 0.08 0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.24 3fg9 s THR 18 Cb -0.15 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 3fg9 s THR 18 CO 0.07 0.43 -0.17 0.68 -0.69 0.00 0.00 174.62 174.94 3fg9 s VAL 19 N 0.54 1.47 0.00 3.82 -7.23 -0.29 -4.44 120.40 114.27 3fg9 s VAL 19 Ca 0.06 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 3fg9 s VAL 19 Cb -0.12 -1.49 0.00 0.00 0.56 0.00 0.00 36.38 35.33 3fg9 s VAL 19 CO 0.00 -0.25 0.00 -0.90 -0.31 0.00 0.00 175.10 173.64 3fg9 n ASP 20 N 0.82 1.11 -0.37 4.85 5.68 -1.26 -4.43 116.55 122.95 3fg9 n ASP 20 Ca -0.18 -0.80 0.14 0.00 -0.50 0.00 0.00 54.79 53.46 3fg9 n ASP 20 Cb 0.55 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 41.10 3fg9 n ASP 20 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3fg9 n GLU 21 N -0.35 1.42 -3.33 0.11 1.02 -1.26 -4.94 120.64 113.30 3fg9 n GLU 21 Ca 0.00 -0.74 -0.29 0.00 -0.02 0.00 0.00 57.16 56.11 3fg9 n GLU 21 Cb 0.00 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 29.90 3fg9 n GLU 21 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3fg9 s ASP 22 N -2.09 6.47 -0.10 1.62 1.01 -1.26 -5.09 116.67 117.23 3fg9 s ASP 22 Ca 0.37 0.76 -0.00 0.00 0.71 0.00 0.00 52.55 54.39 3fg9 s ASP 22 Cb 0.21 -2.16 -0.03 0.00 1.01 0.00 0.00 42.92 41.95 3fg9 s ASP 22 CO 0.37 -0.19 -0.08 -1.81 0.21 0.00 0.00 175.17 173.67 3fg9 s ASP 23 N -3.05 4.49 0.06 0.27 1.01 -1.26 -4.94 116.67 113.25 3fg9 s ASP 23 Ca 0.45 -0.12 -0.28 0.00 0.71 0.00 0.00 52.55 53.30 3fg9 s ASP 23 Cb -0.11 -1.36 0.09 0.00 1.01 0.00 0.00 42.92 42.56 3fg9 s ASP 23 CO 0.29 0.28 1.10 0.54 0.21 0.00 0.00 175.17 177.58 3fg9 s ASN 24 N -0.31 -0.14 0.33 0.27 2.20 -1.26 -5.02 114.94 111.01 3fg9 s ASN 24 Ca 0.04 -0.26 0.04 0.00 -0.94 0.00 0.00 52.86 51.74 3fg9 s ASN 24 Cb -0.13 0.34 0.59 0.00 -2.00 0.00 0.00 41.25 40.05 3fg9 s ASN 24 CO 0.02 -0.62 1.89 0.71 -2.94 0.00 0.00 177.10 176.16 3fg9 h THR 25 N 2.00 1.19 -0.63 0.54 1.35 -1.99 -2.02 112.91 113.34 3fg9 h THR 25 Ca -0.26 -0.72 -0.08 0.00 -0.55 0.00 0.00 66.41 64.81 3fg9 h THR 25 Cb 1.22 0.83 -0.03 0.00 -1.73 0.00 0.00 68.15 68.44 3fg9 h THR 25 CO 0.27 0.26 0.09 0.77 -0.25 0.00 0.00 175.52 176.66 3fg9 h SER 26 N 0.57 0.99 -0.44 5.36 4.64 -1.90 -0.59 113.55 122.18 3fg9 h SER 26 Ca 0.13 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 3fg9 h SER 26 Cb 0.27 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 3fg9 h SER 26 CO 0.00 0.99 0.24 0.28 -0.87 0.00 0.00 176.83 177.48 3fg9 h SER 27 N 0.97 0.55 -0.24 4.97 0.02 -1.77 0.70 113.55 118.75 3fg9 h SER 27 Ca 0.19 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3fg9 h SER 27 Cb 0.43 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3fg9 h SER 27 CO 0.01 0.47 0.10 -0.08 -1.14 0.00 0.00 176.83 176.20 3fg9 h GLU 28 N 0.58 0.35 -0.28 3.45 4.81 -1.13 -1.66 114.58 120.68 3fg9 h GLU 28 Ca 0.16 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.23 3fg9 h GLU 28 Cb 0.05 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3fg9 h GLU 28 CO -0.03 0.38 -0.24 0.00 -0.73 0.00 0.00 179.01 178.39 3fg9 h ARG 29 N 0.24 0.54 -0.36 1.92 3.08 -0.96 -0.91 114.38 117.93 3fg9 h ARG 29 Ca 0.08 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 3fg9 h ARG 29 Cb 0.15 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3fg9 h ARG 29 CO -0.01 0.75 0.07 0.00 -1.07 0.00 0.00 179.97 179.71 3fg9 h ALA 30 N 1.26 0.48 -0.41 0.04 0.00 -0.67 0.92 119.26 120.88 3fg9 h ALA 30 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3fg9 h ALA 30 Cb 0.68 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3fg9 h ALA 30 CO 0.05 0.16 0.26 0.35 0.00 0.00 0.00 179.25 180.08 3fg9 h PHE 31 N 0.44 0.52 -0.76 0.00 3.57 -1.06 -1.27 116.94 118.36 3fg9 h PHE 31 Ca 0.11 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 3fg9 h PHE 31 Cb 0.33 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 3fg9 h PHE 31 CO 0.02 0.34 0.28 0.00 -2.23 0.00 0.00 178.31 176.71 3fg9 h ARG 32 N 0.54 1.16 -0.09 1.11 3.08 -0.90 -0.62 114.38 118.66 3fg9 h ARG 32 Ca 0.15 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3fg9 h ARG 32 Cb -0.04 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 3fg9 h ARG 32 CO -0.03 0.97 0.02 -0.92 -1.07 0.00 0.00 179.97 178.93 3fg9 h TYR 33 N 1.12 0.16 -0.61 3.04 3.20 -0.66 0.32 116.97 123.54 3fg9 h TYR 33 Ca 0.25 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 3fg9 h TYR 33 Cb 0.26 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 3fg9 h TYR 33 CO 0.02 0.35 0.26 0.00 -1.64 0.00 0.00 178.16 177.15 3fg9 h ALA 34 N 0.79 0.79 -0.00 1.82 0.00 -1.09 -0.96 119.26 120.61 3fg9 h ALA 34 Ca 0.03 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 3fg9 h ALA 34 Cb 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3fg9 h ALA 34 CO 0.00 0.39 -0.82 1.79 0.00 0.00 0.00 179.25 180.61 3fg9 h THR 35 N 0.84 1.51 -0.53 0.00 1.35 -1.12 -1.36 112.91 113.61 3fg9 h THR 35 Ca 0.20 -2.59 -0.05 0.00 -0.55 0.00 0.00 66.41 63.43 3fg9 h THR 35 Cb 0.18 2.42 -0.02 0.00 -1.73 0.00 0.00 68.15 69.00 3fg9 h THR 35 CO -0.02 0.75 0.13 0.74 -0.25 0.00 0.00 175.52 176.87 3fg9 h THR 36 N 0.08 1.24 0.02 6.82 2.02 -0.75 -0.23 112.91 122.11 3fg9 h THR 36 Ca -0.03 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 3fg9 h THR 36 Cb 1.43 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 3fg9 h THR 36 CO 0.12 0.32 -0.01 0.25 0.37 0.00 0.00 175.52 176.56 3fg9 h LEU 37 N 0.74 -0.02 -0.88 2.58 6.46 -1.12 0.10 115.31 123.17 3fg9 h LEU 37 Ca 0.17 -0.10 -0.08 0.00 -0.12 0.00 0.00 57.88 57.74 3fg9 h LEU 37 Cb 0.34 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.26 3fg9 h LEU 37 CO 0.00 0.08 -0.07 0.00 -0.62 0.00 0.00 178.44 177.84 3fg9 h ALA 38 N 0.84 1.06 0.20 1.25 0.00 -1.17 -1.28 119.26 120.16 3fg9 h ALA 38 Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3fg9 h ALA 38 Cb 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3fg9 h ALA 38 CO 0.00 0.58 -0.10 1.25 0.00 0.00 0.00 179.25 180.99 3fg9 h HIS 39 N 0.69 -0.25 -0.09 0.00 -0.00 -0.92 -1.04 115.15 113.55 3fg9 h HIS 39 Ca 0.13 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.42 3fg9 h HIS 39 Cb 0.53 0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 28.01 3fg9 h HIS 39 CO 0.03 0.05 -0.28 -0.44 -0.00 0.00 0.00 177.93 177.29 3fg9 h ASP 40 N -0.56 0.15 -0.02 3.26 5.19 -0.58 -2.77 116.42 121.09 3fg9 h ASP 40 Ca -0.03 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 3fg9 h ASP 40 Cb 0.42 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.89 3fg9 h ASP 40 CO 0.05 0.44 -0.01 -1.22 -3.12 0.00 0.00 179.24 175.37 3fg9 n TYR 41 N -4.16 0.00 -3.48 4.55 4.01 -0.50 -5.01 117.16 112.57 3fg9 n TYR 41 Ca -0.01 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.52 3fg9 n TYR 41 Cb 0.36 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.45 3fg9 n TYR 41 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3fg9 n ASP 42 N 0.86 -4.65 -4.30 7.72 2.03 -0.47 -5.02 116.55 112.71 3fg9 n ASP 42 Ca 0.09 -0.80 -0.21 0.00 0.52 0.00 0.00 54.79 54.39 3fg9 n ASP 42 Cb 0.39 -4.49 -0.11 0.00 -0.72 0.00 0.00 41.12 36.19 3fg9 n ASP 42 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3fg9 s VAL 43 N -3.46 1.69 0.47 5.18 -7.23 -0.73 -5.05 120.40 111.26 3fg9 s VAL 43 Ca 0.32 -1.81 -0.22 0.00 -1.81 0.00 0.00 61.98 58.46 3fg9 s VAL 43 Cb -0.07 -1.72 -0.08 0.00 0.56 0.00 0.00 36.38 35.07 3fg9 s VAL 43 CO 0.79 -0.30 1.12 -2.16 -0.31 0.00 0.00 175.10 174.24 3fg9 s PRO 44 N -2.61 3.77 -0.07 4.82 0.04 -1.25 -4.71 135.00 134.99 3fg9 s PRO 44 Ca 0.13 1.63 0.04 0.00 0.04 0.00 0.00 61.00 62.84 3fg9 s PRO 44 Cb -0.06 -2.32 -0.00 0.00 0.04 0.00 0.00 34.50 32.16 3fg9 s PRO 44 CO 0.05 -0.51 -0.21 -1.17 0.04 0.00 0.00 177.00 175.21 3fg9 s LEU 45 N -3.15 1.97 -0.06 -3.56 2.96 -0.02 -1.21 118.68 115.60 3fg9 s LEU 45 Ca 0.65 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 54.14 3fg9 s LEU 45 Cb -0.25 -1.19 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 3fg9 s LEU 45 CO 0.30 0.16 -0.15 -0.83 -1.32 0.00 0.00 176.35 174.51 3fg9 s GLY 46 N 0.19 1.51 -0.24 7.98 0.00 0.16 -0.87 107.32 116.05 3fg9 s GLY 46 Ca -0.11 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.65 3fg9 s GLY 46 CO 0.05 -0.68 -0.11 -0.42 0.00 0.00 0.00 173.10 171.94 3fg9 s ILE 47 N -0.53 2.39 0.08 0.90 1.01 -0.28 -0.74 121.20 124.03 3fg9 s ILE 47 Ca 0.07 -1.27 0.09 0.00 0.00 0.00 0.00 60.65 59.54 3fg9 s ILE 47 Cb -0.12 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 3fg9 s ILE 47 CO 0.01 0.18 -0.22 0.00 0.00 0.00 0.00 174.94 174.91 3fg9 s SER 49 N -1.65 0.19 -0.03 0.00 1.04 -0.90 -1.14 113.70 111.20 3fg9 s SER 49 Ca 0.14 -1.32 0.05 0.00 0.48 0.00 0.00 55.95 55.31 3fg9 s SER 49 Cb -0.10 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 3fg9 s SER 49 CO 0.05 -0.92 -0.19 -0.69 0.98 0.00 0.00 173.24 172.48 3fg9 s VAL 50 N -4.08 1.51 -0.03 5.02 1.01 -1.26 -2.20 120.40 120.37 3fg9 s VAL 50 Ca 0.36 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 3fg9 s VAL 50 Cb 0.05 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 3fg9 s VAL 50 CO 0.12 0.43 0.16 -0.76 0.00 0.00 0.00 175.10 175.05 3fg9 s LEU 51 N -0.22 4.32 0.47 3.92 1.43 0.32 -4.98 118.68 123.94 3fg9 s LEU 51 Ca 0.02 0.35 -0.24 0.00 -1.03 0.00 0.00 54.13 53.24 3fg9 s LEU 51 Cb -0.10 -2.46 -0.07 0.00 0.03 0.00 0.00 46.19 43.60 3fg9 s LEU 51 CO 0.01 0.30 1.28 -0.70 0.23 0.00 0.00 176.35 177.47 3fg9 s GLU 52 N -1.71 3.63 -0.99 1.70 2.12 -1.26 -2.18 118.70 120.01 3fg9 s GLU 52 Ca 0.24 2.07 -0.24 0.00 0.36 0.00 0.00 54.97 57.40 3fg9 s GLU 52 Cb -0.12 -2.48 -0.02 0.00 0.26 0.00 0.00 34.13 31.77 3fg9 s GLU 52 CO 0.15 -0.74 1.78 0.45 -0.54 0.00 0.00 175.26 176.36 3fg9 s SER 53 N -1.00 5.64 0.00 -1.70 0.15 -0.89 -4.69 113.70 111.21 3fg9 s SER 53 Ca 0.64 -1.11 -0.00 0.00 0.70 0.00 0.00 55.95 56.18 3fg9 s SER 53 Cb -0.36 -2.57 -0.00 0.00 -1.71 0.00 0.00 66.02 61.38 3fg9 s SER 53 CO 0.44 -2.31 0.01 -1.20 1.20 0.00 0.00 173.24 171.38 3fg9 n SER 65 N 12.16 -0.01 0.20 5.45 7.64 -1.26 -5.01 113.62 132.78 3fg9 n SER 65 Ca 0.39 0.02 0.14 0.00 1.01 0.00 0.00 58.87 60.43 3fg9 n SER 65 Cb 0.48 -0.00 0.57 0.00 -1.01 0.00 0.00 64.21 64.24 3fg9 n SER 65 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3fg9 h LYS 66 N 0.00 0.00 -0.49 1.43 1.57 -2.06 -2.76 116.57 114.26 3fg9 h LYS 66 Ca 0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 3fg9 h LYS 66 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 3fg9 h LYS 66 CO -0.01 0.00 0.17 0.97 -0.57 0.00 0.00 179.45 180.01 3fg9 h ILE 67 N 0.00 0.82 0.01 1.86 -0.00 -2.01 -2.97 117.51 115.23 3fg9 h ILE 67 Ca 0.00 -0.12 -0.22 0.00 -0.00 0.00 0.00 64.86 64.53 3fg9 h ILE 67 Cb 0.47 0.46 -0.00 0.00 -0.00 0.00 0.00 36.82 37.74 3fg9 h ILE 67 CO 0.00 0.06 -0.93 -0.61 -0.00 0.00 0.00 178.15 176.67 3fg9 h GLN 68 N 0.34 0.32 -0.99 2.19 5.75 -1.92 -1.88 115.11 118.91 3fg9 h GLN 68 Ca 0.24 -0.35 0.03 0.00 -0.15 0.00 0.00 58.65 58.41 3fg9 h GLN 68 Cb 0.26 0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.85 3fg9 h GLN 68 CO -0.25 1.05 0.65 0.00 -2.65 0.00 0.00 178.83 177.64 3fg9 h ALA 69 N 0.82 1.30 -0.01 3.38 0.00 -1.61 0.13 119.26 123.27 3fg9 h ALA 69 Ca -0.07 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 3fg9 h ALA 69 Cb 1.57 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3fg9 h ALA 69 CO 0.15 0.59 -0.81 1.57 0.00 0.00 0.00 179.25 180.75 3fg9 h LYS 70 N 1.29 0.16 -0.96 0.00 2.10 -1.44 -1.74 116.57 115.98 3fg9 h LYS 70 Ca 0.38 -0.16 0.01 0.00 -2.00 0.00 0.00 60.65 58.88 3fg9 h LYS 70 Cb -0.06 0.04 -0.05 0.00 -0.90 0.00 0.00 32.23 31.26 3fg9 h LYS 70 CO -0.11 0.88 0.62 -0.09 -2.00 0.00 0.00 179.45 178.76 3fg9 h ARG 71 N 0.10 1.27 -0.25 0.07 2.43 -0.86 -2.29 114.38 114.86 3fg9 h ARG 71 Ca -0.03 -0.09 0.02 0.00 -0.81 0.00 0.00 59.98 59.07 3fg9 h ARG 71 Cb 1.41 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 3fg9 h ARG 71 CO 0.12 0.85 0.11 -0.22 -1.51 0.00 0.00 179.97 179.32 3fg9 h LYS 72 N 1.31 0.23 -0.69 0.20 1.63 -0.56 -1.65 116.57 117.03 3fg9 h LYS 72 Ca 0.35 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 60.10 3fg9 h LYS 72 Cb -0.13 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.42 3fg9 h LYS 72 CO -0.07 0.15 0.29 1.25 -3.45 0.00 0.00 179.45 177.62 3fg9 h HIS 73 N 0.24 1.05 -0.25 1.91 2.76 -0.94 -0.95 115.15 118.97 3fg9 h HIS 73 Ca 0.10 -0.07 -0.11 0.00 -2.20 0.00 0.00 60.37 58.09 3fg9 h HIS 73 Cb 0.05 -0.32 -0.00 0.00 1.55 0.00 0.00 27.41 28.69 3fg9 h HIS 73 CO -0.11 0.81 -0.28 0.28 -1.30 0.00 0.00 177.93 177.33 3fg9 h VAL 74 N 0.99 1.31 -0.84 5.26 2.07 -1.40 -0.83 116.25 122.81 3fg9 h VAL 74 Ca 0.23 -1.46 0.09 0.00 0.82 0.00 0.00 66.70 66.38 3fg9 h VAL 74 Cb 0.19 1.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 3fg9 h VAL 74 CO -0.02 0.46 0.55 -0.33 0.02 0.00 0.00 177.57 178.25 3fg9 h GLU 75 N 0.34 0.81 -0.05 1.57 5.08 -1.12 -1.26 114.58 119.96 3fg9 h GLU 75 Ca 0.04 -0.05 -0.24 0.00 -1.00 0.00 0.00 59.36 58.10 3fg9 h GLU 75 Cb 0.85 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.93 3fg9 h GLU 75 CO 0.07 0.54 -0.93 -0.44 -1.00 0.00 0.00 179.01 177.24 3fg9 h ASP 76 N 0.84 0.84 -0.22 1.42 3.32 -0.99 -0.84 116.42 120.78 3fg9 h ASP 76 Ca 0.38 -0.63 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 3fg9 h ASP 76 Cb 0.38 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3fg9 h ASP 76 CO -0.15 1.42 0.13 0.58 -1.72 0.00 0.00 179.24 179.50 3fg9 h VAL 77 N 0.41 1.10 -0.49 -1.35 2.07 -0.74 -0.80 116.25 116.45 3fg9 h VAL 77 Ca -0.09 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 3fg9 h VAL 77 Cb 1.57 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 3fg9 h VAL 77 CO 0.18 0.10 0.24 0.58 0.02 0.00 0.00 177.57 178.69 3fg9 h VAL 78 N 0.26 1.18 -0.76 2.57 2.07 -1.22 -2.11 116.25 118.25 3fg9 h VAL 78 Ca 0.08 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.11 3fg9 h VAL 78 Cb 0.04 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 3fg9 h VAL 78 CO -0.01 0.20 0.50 0.00 0.02 0.00 0.00 177.57 178.28 3fg9 h ALA 79 N 1.08 1.49 -0.25 1.67 0.00 -0.85 -1.00 119.26 121.40 3fg9 h ALA 79 Ca 0.17 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3fg9 h ALA 79 Cb 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3fg9 h ALA 79 CO -0.02 0.46 -0.04 1.49 0.00 0.00 0.00 179.25 181.14 3fg9 h GLU 80 N 1.00 0.47 -0.68 0.00 4.81 -0.88 -1.49 114.58 117.81 3fg9 h GLU 80 Ca 0.28 -0.17 0.07 0.00 -0.13 0.00 0.00 59.36 59.41 3fg9 h GLU 80 Cb -0.07 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.22 3fg9 h GLU 80 CO -0.07 0.68 0.37 1.88 -0.73 0.00 0.00 179.01 181.14 3fg9 h TYR 81 N 0.22 0.67 -0.59 0.92 0.05 -1.07 -1.35 116.97 115.83 3fg9 h TYR 81 Ca 0.07 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 3fg9 h TYR 81 Cb 0.50 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.01 3fg9 h TYR 81 CO 0.05 0.30 0.33 0.28 -1.05 0.00 0.00 178.16 178.07 3fg9 h VAL 82 N 0.67 1.19 -0.58 -2.88 2.07 -1.01 -0.52 116.25 115.18 3fg9 h VAL 82 Ca 0.31 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.41 3fg9 h VAL 82 Cb 0.23 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 3fg9 h VAL 82 CO -0.20 0.20 0.32 1.56 0.02 0.00 0.00 177.57 179.47 3fg9 h GLN 83 N 0.79 0.60 -0.51 1.57 4.20 -0.96 -1.25 115.11 119.55 3fg9 h GLN 83 Ca 0.21 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 3fg9 h GLN 83 Cb 0.03 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 3fg9 h GLN 83 CO -0.03 0.40 0.08 -0.07 -0.67 0.00 0.00 178.83 178.53 3fg9 h LEU 84 N 0.62 0.76 -0.47 1.46 3.38 -0.76 -1.82 115.31 118.49 3fg9 h LEU 84 Ca 0.25 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3fg9 h LEU 84 Cb 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3fg9 h LEU 84 CO -0.15 0.78 -0.02 0.00 0.09 0.00 0.00 178.44 179.14 3fg9 h ALA 85 N 1.31 0.63 -0.92 1.53 0.00 -0.69 -1.60 119.26 119.52 3fg9 h ALA 85 Ca 0.16 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3fg9 h ALA 85 Cb 0.36 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3fg9 h ALA 85 CO 0.01 0.45 0.60 0.93 0.00 0.00 0.00 179.25 181.24 3fg9 h GLU 86 N 0.69 1.16 0.00 0.00 5.08 -1.03 -2.18 114.58 118.29 3fg9 h GLU 86 Ca 0.13 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 3fg9 h GLU 86 Cb 0.54 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3fg9 h GLU 86 CO 0.03 0.77 -0.42 1.96 -1.00 0.00 0.00 179.01 180.34 3fg9 h GLN 87 N 1.19 0.00 0.00 2.33 4.20 -1.04 -1.84 115.11 119.96 3fg9 h GLN 87 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 3fg9 h GLN 87 Cb -0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.73 3fg9 h GLN 87 CO -0.10 0.42 0.00 -0.09 -0.67 0.00 0.00 178.83 178.39 3fg9 h ARG 88 N 0.00 0.00 0.00 1.46 9.65 -0.86 -3.46 114.38 121.17 3fg9 h ARG 88 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3fg9 h ARG 88 Cb 0.75 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.33 3fg9 h ARG 88 CO 0.05 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.23 3fg9 n GLY 89 N -0.20 1.22 3.69 2.80 0.00 -0.69 -5.00 105.19 107.01 3fg9 n GLY 89 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3fg9 n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fg9 s VAL 90 N -2.00 3.73 0.14 1.61 1.01 -0.86 -4.83 120.40 119.20 3fg9 s VAL 90 Ca 0.00 1.11 -0.06 0.00 0.00 0.00 0.00 61.98 63.03 3fg9 s VAL 90 Cb 0.00 -3.72 -0.13 0.00 0.00 0.00 0.00 36.38 32.53 3fg9 s VAL 90 CO 0.00 -0.00 1.37 0.78 0.00 0.00 0.00 175.10 177.25 3fg9 h ASN 91 N 7.81 0.68 -3.51 3.32 2.35 -1.88 -3.40 115.58 120.95 3fg9 h ASN 91 Ca -0.38 -0.45 -0.61 0.00 -0.55 0.00 0.00 56.30 54.31 3fg9 h ASN 91 Cb 1.18 -0.20 -0.39 0.00 0.05 0.00 0.00 38.32 38.96 3fg9 h ASN 91 CO 0.90 1.22 -0.76 -1.10 -1.65 0.00 0.00 177.43 176.04 3fg9 s GLN 92 N -3.65 1.32 -0.04 0.81 -0.21 -1.26 -5.10 119.66 111.52 3fg9 s GLN 92 Ca -0.08 -1.16 0.03 0.00 0.02 0.00 0.00 55.36 54.17 3fg9 s GLN 92 Cb 0.10 -2.54 0.01 0.00 1.00 0.00 0.00 33.01 31.57 3fg9 s GLN 92 CO 0.87 -0.77 -0.11 0.08 -2.12 0.00 0.00 175.29 173.24 3fg9 s VAL 93 N 1.37 0.98 -0.00 1.09 1.01 -1.26 -0.84 120.40 122.76 3fg9 s VAL 93 Ca 0.02 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3fg9 s VAL 93 Cb -0.18 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 3fg9 s VAL 93 CO -0.11 0.31 -0.06 -1.83 0.00 0.00 0.00 175.10 173.40 3fg9 s GLU 94 N 0.34 0.46 0.27 2.72 -1.05 -0.05 -4.99 118.70 116.39 3fg9 s GLU 94 Ca -0.07 -0.23 -0.29 0.00 -0.15 0.00 0.00 54.97 54.23 3fg9 s GLU 94 Cb -0.11 -0.44 -0.09 0.00 -0.44 0.00 0.00 34.13 33.05 3fg9 s GLU 94 CO 0.02 0.12 0.95 -1.25 0.95 0.00 0.00 175.26 176.04 3fg9 s PRO 95 N -0.21 4.77 -0.44 -4.83 0.04 -1.26 -1.13 135.00 131.94 3fg9 s PRO 95 Ca 0.02 1.46 0.03 0.00 0.04 0.00 0.00 61.00 62.54 3fg9 s PRO 95 Cb -0.03 -3.13 0.16 0.00 0.04 0.00 0.00 34.50 31.54 3fg9 s PRO 95 CO -0.00 0.43 0.31 -0.51 0.04 0.00 0.00 177.00 177.27 3fg9 s LEU 96 N -1.45 1.99 -0.27 -3.56 1.43 0.11 -4.89 118.68 112.04 3fg9 s LEU 96 Ca 0.44 -2.87 -0.10 0.00 -1.03 0.00 0.00 54.13 50.57 3fg9 s LEU 96 Cb -0.24 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 3fg9 s LEU 96 CO 0.30 -0.21 0.15 -0.69 0.23 0.00 0.00 176.35 176.13 3fg9 s VAL 97 N 0.17 4.94 0.27 -1.59 1.01 -1.26 -2.13 120.40 121.81 3fg9 s VAL 97 Ca 0.25 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.32 3fg9 s VAL 97 Cb -0.09 -3.35 -0.06 0.00 0.00 0.00 0.00 36.38 32.88 3fg9 s VAL 97 CO -0.10 0.26 -0.08 -0.31 0.00 0.00 0.00 175.10 174.87 3fg9 s TYR 98 N 1.70 1.94 0.01 5.22 2.02 -0.94 -5.02 117.35 122.28 3fg9 s TYR 98 Ca 0.07 -0.66 0.02 0.00 -0.37 0.00 0.00 57.07 56.12 3fg9 s TYR 98 Cb -0.16 -1.06 -0.01 0.00 -0.40 0.00 0.00 41.96 40.33 3fg9 s TYR 98 CO 0.08 0.32 -0.06 -2.00 -1.57 0.00 0.00 175.55 172.32 3fg9 s GLU 99 N -3.70 0.45 0.00 -0.62 2.12 -1.26 -0.52 118.70 115.16 3fg9 s GLU 99 Ca 0.28 -0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.27 3fg9 s GLU 99 Cb 0.03 -0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.05 3fg9 s GLU 99 CO 0.11 0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.34 3fg9 n GLY 100 N 2.52 0.28 0.11 -1.50 0.00 -0.93 -4.96 105.19 100.73 3fg9 n GLY 100 Ca -0.16 -0.93 -0.17 0.00 0.00 0.00 0.00 46.02 44.77 3fg9 n GLY 100 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fg9 h GLY 101 N 0.00 0.30 -6.59 -0.02 0.00 -1.93 -2.36 103.07 92.47 3fg9 h GLY 101 Ca 0.00 -0.57 -0.66 0.00 0.00 0.00 0.00 47.33 46.10 3fg9 h GLY 101 CO 0.00 0.50 -0.77 -0.35 0.00 0.00 0.00 176.54 175.93 3fg9 s ASP 102 N -6.57 3.94 0.27 0.19 2.15 -1.26 -4.76 116.67 110.64 3fg9 s ASP 102 Ca -0.15 -0.50 -0.02 0.00 0.43 0.00 0.00 52.55 52.32 3fg9 s ASP 102 Cb 0.02 -1.66 0.43 0.00 -0.30 0.00 0.00 42.92 41.41 3fg9 s ASP 102 CO 0.78 -0.02 1.88 -0.37 -0.17 0.00 0.00 175.17 177.27 3fg9 h VAL 103 N 5.80 1.07 -0.33 1.11 -1.51 -1.89 -0.88 116.25 119.63 3fg9 h VAL 103 Ca -0.42 -0.40 0.01 0.00 -1.23 0.00 0.00 66.70 64.66 3fg9 h VAL 103 Cb 1.15 -0.19 -0.02 0.00 -2.13 0.00 0.00 31.29 30.10 3fg9 h VAL 103 CO 0.61 0.21 0.19 0.44 -1.23 0.00 0.00 177.57 177.80 3fg9 h ASP 104 N 1.16 0.31 -0.59 4.19 5.19 -1.99 -0.70 116.42 123.99 3fg9 h ASP 104 Ca 0.44 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.78 3fg9 h ASP 104 Cb 0.20 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.62 3fg9 h ASP 104 CO -0.18 0.23 0.09 0.44 -3.12 0.00 0.00 179.24 176.70 3fg9 h ASP 105 N 0.39 0.97 -0.16 6.45 3.32 -1.81 -1.02 116.42 124.56 3fg9 h ASP 105 Ca 0.13 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3fg9 h ASP 105 Cb -0.00 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3fg9 h ASP 105 CO -0.06 0.97 0.09 0.58 -1.72 0.00 0.00 179.24 179.10 3fg9 h VAL 106 N 0.95 1.02 -0.07 -1.35 2.07 -0.64 0.21 116.25 118.45 3fg9 h VAL 106 Ca 0.19 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 3fg9 h VAL 106 Cb 0.42 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3fg9 h VAL 106 CO 0.01 0.04 0.01 0.40 0.02 0.00 0.00 177.57 178.05 3fg9 h ILE 107 N 0.20 1.20 -0.13 4.57 2.04 -0.93 -0.49 117.51 123.97 3fg9 h ILE 107 Ca 0.06 -0.60 -0.13 0.00 1.00 0.00 0.00 64.86 65.19 3fg9 h ILE 107 Cb -0.01 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3fg9 h ILE 107 CO -0.03 0.17 -0.50 -0.07 0.00 0.00 0.00 178.15 177.72 3fg9 h LEU 108 N -0.11 0.38 0.00 1.44 3.38 -1.11 -0.59 115.31 118.70 3fg9 h LEU 108 Ca 0.02 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 3fg9 h LEU 108 Cb 0.25 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3fg9 h LEU 108 CO 0.00 0.82 -1.91 -0.62 0.09 0.00 0.00 178.44 176.82 3fg9 n GLU 109 N -3.96 0.82 -0.01 1.13 1.02 0.72 -4.39 120.64 115.97 3fg9 n GLU 109 Ca -0.02 -0.11 -0.06 0.00 -0.02 0.00 0.00 57.16 56.96 3fg9 n GLU 109 Cb 0.56 -1.41 -0.02 0.00 -0.02 0.00 0.00 31.44 30.54 3fg9 n GLU 109 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3fg9 n GLN 110 N -2.28 0.18 -0.02 3.49 6.02 -0.30 -4.66 117.38 119.81 3fg9 n GLN 110 Ca -0.11 0.08 -0.13 0.00 -0.01 0.00 0.00 57.00 56.82 3fg9 n GLN 110 Cb 0.66 -0.81 -0.10 0.00 1.02 0.00 0.00 30.24 31.00 3fg9 n GLN 110 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3fg9 h VAL 111 N -0.33 1.41 0.14 5.09 2.07 -1.11 -1.93 116.25 121.59 3fg9 h VAL 111 Ca -0.09 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.24 3fg9 h VAL 111 Cb 0.65 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 3fg9 h VAL 111 CO -0.05 0.31 -0.16 0.40 0.02 0.00 0.00 177.57 178.09 3fg9 h ILE 112 N -0.52 0.64 -0.33 4.57 2.04 -1.36 0.11 117.51 122.66 3fg9 h ILE 112 Ca -0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 3fg9 h ILE 112 Cb 0.51 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3fg9 h ILE 112 CO 0.00 0.00 0.22 -0.65 0.00 0.00 0.00 178.15 177.72 3fg9 h PRO 113 N -0.34 0.27 0.02 2.37 0.11 -1.76 0.78 132.00 133.44 3fg9 h PRO 113 Ca 0.01 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 3fg9 h PRO 113 Cb 0.34 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 3fg9 h PRO 113 CO -0.06 0.18 -0.53 0.93 -0.21 0.00 0.00 178.00 178.31 3fg9 h GLU 114 N 0.28 0.04 0.00 1.05 5.08 -1.09 -3.38 114.58 116.56 3fg9 h GLU 114 Ca 0.14 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 3fg9 h GLU 114 Cb 0.21 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3fg9 h GLU 114 CO -0.03 1.03 -0.77 0.35 -1.00 0.00 0.00 179.01 178.59 3fg9 h PHE 115 N -0.90 0.00 -5.67 4.33 3.57 -0.81 -3.48 116.94 113.97 3fg9 h PHE 115 Ca -0.14 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.03 3fg9 h PHE 115 Cb 1.19 0.00 0.16 0.00 2.79 0.00 0.00 35.95 40.10 3fg9 h PHE 115 CO 0.21 0.41 -0.77 1.63 -2.23 0.00 0.00 178.31 177.56 3fg9 n LYS 116 N -3.05 -6.63 -1.64 1.11 5.02 0.26 -5.00 118.16 108.24 3fg9 n LYS 116 Ca -0.01 0.84 -0.31 0.00 -2.02 0.00 0.00 58.31 56.80 3fg9 n LYS 116 Cb 0.72 -5.85 0.05 0.00 -0.02 0.00 0.00 35.03 29.93 3fg9 n LYS 116 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3fg9 s PRO 117 N -5.42 2.94 0.00 1.97 0.04 -1.26 -4.82 135.00 128.45 3fg9 s PRO 117 Ca 0.03 1.04 0.12 0.00 0.04 0.00 0.00 61.00 62.23 3fg9 s PRO 117 Cb -0.01 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.57 3fg9 s PRO 117 CO 0.73 -1.10 0.76 -0.40 0.04 0.00 0.00 177.00 177.03 3fg9 n ASP 118 N -2.92 1.55 -3.79 6.66 5.68 -0.29 -4.94 116.55 118.51 3fg9 n ASP 118 Ca 0.08 -1.28 -0.15 0.00 -0.50 0.00 0.00 54.79 52.94 3fg9 n ASP 118 Cb 0.53 0.31 -0.16 0.00 -1.14 0.00 0.00 41.12 40.67 3fg9 n ASP 118 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3fg9 s LEU 119 N -1.50 1.20 -0.18 -2.12 2.96 -1.15 -3.29 118.68 114.61 3fg9 s LEU 119 Ca 0.11 0.02 -0.06 0.00 -0.22 0.00 0.00 54.13 53.98 3fg9 s LEU 119 Cb 0.10 -0.09 -0.04 0.00 0.50 0.00 0.00 46.19 46.66 3fg9 s LEU 119 CO 0.25 -0.11 0.03 -0.22 -1.32 0.00 0.00 176.35 174.98 3fg9 s LEU 120 N 0.94 3.59 -0.12 -0.68 0.20 -0.32 -1.19 118.68 121.11 3fg9 s LEU 120 Ca -0.08 -0.01 0.01 0.00 0.69 0.00 0.00 54.13 54.74 3fg9 s LEU 120 Cb -0.12 -1.90 -0.01 0.00 -0.43 0.00 0.00 46.19 43.73 3fg9 s LEU 120 CO -0.02 0.16 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.37 3fg9 s VAL 121 N 0.42 2.94 -0.01 1.68 1.01 0.82 -0.96 120.40 126.30 3fg9 s VAL 121 Ca 0.01 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.12 3fg9 s VAL 121 Cb -0.13 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.06 3fg9 s VAL 121 CO 0.01 0.54 0.33 0.28 0.00 0.00 0.00 175.10 176.26 3fg9 s THR 122 N 0.22 0.06 0.65 3.92 -1.32 -0.74 -1.19 115.64 117.24 3fg9 s THR 122 Ca -0.09 -0.47 -0.16 0.00 -1.21 0.00 0.00 61.69 59.76 3fg9 s THR 122 Cb -0.16 -0.66 -0.01 0.00 -1.51 0.00 0.00 72.50 70.17 3fg9 s THR 122 CO 0.05 -0.26 1.14 -0.83 -2.21 0.00 0.00 174.62 172.52 3fg9 s GLY 123 N -1.38 2.33 0.46 6.08 0.00 -1.26 -1.08 107.32 112.47 3fg9 s GLY 123 Ca -0.13 0.70 0.31 0.00 0.00 0.00 0.00 44.72 45.61 3fg9 s GLY 123 CO 0.04 1.07 1.95 0.00 0.00 0.00 0.00 173.10 176.16 3fg9 h ALA 124 N 0.24 1.00 -0.00 3.20 0.00 -1.29 -2.47 119.26 119.95 3fg9 h ALA 124 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3fg9 h ALA 124 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3fg9 h ALA 124 CO 0.54 0.00 -0.80 -0.25 0.00 0.00 0.00 179.25 178.74 3fg9 n ASP 125 N -2.67 1.03 -4.69 0.00 8.00 -1.26 -4.79 116.55 112.17 3fg9 n ASP 125 Ca -0.01 -0.91 -0.44 0.00 0.71 0.00 0.00 54.79 54.14 3fg9 n ASP 125 Cb 0.14 0.75 -0.04 0.00 -0.02 0.00 0.00 41.12 41.95 3fg9 n ASP 125 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3fg9 n THR 126 N -1.28 0.24 -3.54 -3.53 -1.04 -0.93 -4.87 114.28 99.33 3fg9 n THR 126 Ca 0.05 -0.04 -0.11 0.00 -2.04 0.00 0.00 64.05 61.91 3fg9 n THR 126 Cb 0.35 -1.92 -0.03 0.00 -1.82 0.00 0.00 70.33 66.91 3fg9 n THR 126 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 3fg9 s GLU 127 N 2.17 1.19 -0.07 -2.82 -1.05 -1.26 -1.31 118.70 115.55 3fg9 s GLU 127 Ca 0.81 -0.61 0.01 0.00 -0.15 0.00 0.00 54.97 55.03 3fg9 s GLU 127 Cb -0.56 0.53 0.02 0.00 -0.44 0.00 0.00 34.13 33.68 3fg9 s GLU 127 CO 0.38 -0.50 -0.09 -0.06 0.95 0.00 0.00 175.26 175.95 3fg9 s PHE 128 N -3.79 1.30 0.41 4.83 0.08 -1.26 -4.83 117.98 114.72 3fg9 s PHE 128 Ca 0.03 -0.51 0.32 0.00 0.12 0.00 0.00 56.93 56.88 3fg9 s PHE 128 Cb 0.00 -1.03 1.62 0.00 -0.57 0.00 0.00 43.02 43.04 3fg9 s PHE 128 CO -0.12 -0.33 2.11 -1.00 -0.10 0.00 0.00 175.22 175.79 3fg9 h PRO 129 N 7.39 0.00 -0.02 0.24 0.13 -1.99 -2.41 132.00 135.35 3fg9 h PRO 129 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3fg9 h PRO 129 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3fg9 h PRO 129 CO 0.45 0.08 -0.06 -2.39 -0.23 0.00 0.00 178.00 175.85 3fg9 n HIS 130 N -3.45 0.00 -1.83 1.56 1.44 -1.26 -4.97 115.22 106.70 3fg9 n HIS 130 Ca -0.02 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.31 3fg9 n HIS 130 Cb 0.22 -0.01 0.03 0.00 0.12 0.00 0.00 29.99 30.34 3fg9 n HIS 130 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 3fg9 s SER 131 N -2.08 5.56 0.18 4.39 1.04 -0.91 -4.85 113.70 117.03 3fg9 s SER 131 Ca 0.32 2.78 -0.13 0.00 0.48 0.00 0.00 55.95 59.40 3fg9 s SER 131 Cb 0.20 -2.64 0.11 0.00 0.10 0.00 0.00 66.02 63.80 3fg9 s SER 131 CO 0.36 -1.37 1.81 0.11 0.98 0.00 0.00 173.24 175.12 3fg9 h LYS 132 N 1.82 0.58 -5.20 4.02 1.79 -1.92 -3.36 116.57 114.30 3fg9 h LYS 132 Ca -0.51 -0.03 -0.61 0.00 -2.18 0.00 0.00 60.65 57.32 3fg9 h LYS 132 Cb 1.28 -0.13 -0.13 0.00 -1.58 0.00 0.00 32.23 31.67 3fg9 h LYS 132 CO 0.59 0.38 -0.45 0.42 -1.08 0.00 0.00 179.45 179.31 3fg9 s ILE 133 N -6.14 5.35 0.49 1.86 1.01 -1.26 -5.08 121.20 117.44 3fg9 s ILE 133 Ca -0.13 0.27 -0.20 0.00 0.00 0.00 0.00 60.65 60.60 3fg9 s ILE 133 Cb 0.13 -3.53 -0.08 0.00 0.01 0.00 0.00 42.46 38.99 3fg9 s ILE 133 CO 0.74 0.36 1.03 0.00 0.00 0.00 0.00 174.94 177.07 3fg9 s ALA 134 N 0.87 2.89 0.00 9.38 0.00 -1.26 -4.95 121.76 128.69 3fg9 s ALA 134 Ca 0.10 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.60 3fg9 s ALA 134 Cb -0.13 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3fg9 s ALA 134 CO 0.03 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.90 3fg9 n GLY 135 N -0.43 -1.38 3.69 0.00 0.00 -1.26 -4.99 105.19 100.81 3fg9 n GLY 135 Ca 0.09 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 3fg9 n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg9 s ALA 136 N -2.00 3.70 0.14 4.61 0.00 -1.26 -4.55 121.76 122.39 3fg9 s ALA 136 Ca 0.00 1.25 0.11 0.00 0.00 0.00 0.00 51.96 53.31 3fg9 s ALA 136 Cb 0.00 -3.71 0.13 0.00 0.00 0.00 0.00 23.12 19.54 3fg9 s ALA 136 CO 0.00 -1.13 1.47 0.97 0.00 0.00 0.00 175.76 177.07 3fg9 h ILE 137 N 4.81 1.40 -0.08 0.00 2.10 -1.51 -3.37 117.51 120.86 3fg9 h ILE 137 Ca -0.43 -2.59 0.04 0.00 1.08 0.00 0.00 64.86 62.96 3fg9 h ILE 137 Cb 1.20 2.44 -0.05 0.00 -1.09 0.00 0.00 36.82 39.33 3fg9 h ILE 137 CO 0.93 0.71 -0.24 1.23 -1.08 0.00 0.00 178.15 179.70 3fg9 h GLY 138 N 2.58 -0.30 1.92 8.18 0.00 -1.83 -0.55 103.07 113.08 3fg9 h GLY 138 Ca -0.01 0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.55 3fg9 h GLY 138 CO 0.09 -0.20 -0.26 -2.55 0.00 0.00 0.00 176.54 173.63 3fg9 h PRO 139 N -0.34 0.09 -0.34 4.80 0.11 -1.94 0.16 132.00 134.54 3fg9 h PRO 139 Ca 0.08 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 3fg9 h PRO 139 Cb 0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 3fg9 h PRO 139 CO -0.27 0.35 0.02 0.00 -0.21 0.00 0.00 178.00 177.89 3fg9 h ARG 140 N 0.08 0.59 -0.49 1.05 3.08 -1.49 -2.23 114.38 114.97 3fg9 h ARG 140 Ca 0.01 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.81 3fg9 h ARG 140 Cb 0.50 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 3fg9 h ARG 140 CO 0.04 0.69 0.00 -0.07 -1.07 0.00 0.00 179.97 179.56 3fg9 h LEU 141 N 0.41 0.77 -1.28 3.04 3.38 -0.65 -1.27 115.31 119.71 3fg9 h LEU 141 Ca 0.10 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 57.97 3fg9 h LEU 141 Cb 0.41 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 3fg9 h LEU 141 CO 0.01 0.84 0.54 0.00 0.09 0.00 0.00 178.44 179.92 3fg9 h ALA 142 N 1.25 1.69 -0.08 1.53 0.00 -0.46 0.62 119.26 123.81 3fg9 h ALA 142 Ca 0.15 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.82 3fg9 h ALA 142 Cb 0.45 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.06 3fg9 h ALA 142 CO 0.02 0.15 -0.85 -0.09 0.00 0.00 0.00 179.25 178.48 3fg9 h ARG 143 N 0.81 0.71 0.00 0.00 2.43 -0.94 -3.39 114.38 114.00 3fg9 h ARG 143 Ca 0.38 -0.66 -0.08 0.00 -0.81 0.00 0.00 59.98 58.80 3fg9 h ARG 143 Cb 0.39 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 3fg9 h ARG 143 CO -0.15 1.26 -2.07 1.63 -1.51 0.00 0.00 179.97 179.13 3fg9 n LYS 144 N -3.95 0.67 -2.52 0.20 5.02 -0.52 -4.99 118.16 112.07 3fg9 n LYS 144 Ca -0.09 -0.15 -0.34 0.00 -2.02 0.00 0.00 58.31 55.71 3fg9 n LYS 144 Cb 0.78 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 34.24 3fg9 n LYS 144 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fg9 s ALA 145 N -3.29 2.87 -2.31 7.82 0.00 0.17 -4.94 121.76 122.09 3fg9 s ALA 145 Ca -0.08 0.58 0.29 0.00 0.00 0.00 0.00 51.96 52.75 3fg9 s ALA 145 Cb 0.12 -3.25 1.36 0.00 0.00 0.00 0.00 23.12 21.36 3fg9 s ALA 145 CO 0.89 -0.33 1.92 -0.35 0.00 0.00 0.00 175.76 177.89 3fg9 n PRO 146 N -1.03 1.42 -4.54 0.00 -0.04 -1.26 -4.88 135.00 124.67 3fg9 n PRO 146 Ca 0.09 -0.60 -0.28 0.00 -0.04 0.00 0.00 63.50 62.67 3fg9 n PRO 146 Cb 0.53 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 3fg9 n PRO 146 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3fg9 s ILE 147 N -2.00 2.00 0.50 0.52 -4.36 -1.26 -5.13 121.20 111.47 3fg9 s ILE 147 Ca 0.42 -1.94 -0.23 0.00 -0.26 0.00 0.00 60.65 58.63 3fg9 s ILE 147 Cb 0.21 -2.94 -0.06 0.00 1.25 0.00 0.00 42.46 40.92 3fg9 s ILE 147 CO 0.35 0.00 1.32 -0.44 0.24 0.00 0.00 174.94 176.41 3fg9 s SER 148 N -3.76 5.66 -0.04 4.36 0.01 -1.21 -4.90 113.70 113.82 3fg9 s SER 148 Ca 0.34 2.67 0.00 0.00 1.31 0.00 0.00 55.95 60.28 3fg9 s SER 148 Cb 0.08 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.71 3fg9 s SER 148 CO 0.18 -1.30 -0.01 -0.69 0.41 0.00 0.00 173.24 171.83 3fg9 s VAL 149 N -1.34 0.27 -0.17 3.43 1.01 -1.26 -1.17 120.40 121.17 3fg9 s VAL 149 Ca 0.67 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.69 3fg9 s VAL 149 Cb -0.38 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 3fg9 s VAL 149 CO 0.46 0.18 -0.07 -0.51 0.00 0.00 0.00 175.10 175.17 3fg9 s ILE 150 N 1.21 3.46 -0.39 2.22 2.07 -0.14 -4.92 121.20 124.71 3fg9 s ILE 150 Ca -0.07 -0.50 -0.14 0.00 -1.41 0.00 0.00 60.65 58.54 3fg9 s ILE 150 Cb -0.13 -2.52 0.02 0.00 0.13 0.00 0.00 42.46 39.95 3fg9 s ILE 150 CO -0.02 0.48 0.27 -0.69 -1.91 0.00 0.00 174.94 173.07 3fg9 s VAL 151 N 0.76 5.11 -0.11 4.00 1.01 -1.26 -1.78 120.40 128.13 3fg9 s VAL 151 Ca -0.03 -0.66 -0.14 0.00 0.00 0.00 0.00 61.98 61.16 3fg9 s VAL 151 Cb -0.15 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 3fg9 s VAL 151 CO 0.02 -0.26 0.33 -0.69 0.00 0.00 0.00 175.10 174.50 3fg9 s VAL 152 N 1.66 5.24 -0.09 2.92 1.01 -0.24 -4.81 120.40 126.09 3fg9 s VAL 152 Ca 0.04 0.64 0.01 0.00 0.00 0.00 0.00 61.98 62.67 3fg9 s VAL 152 Cb -0.19 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.54 3fg9 s VAL 152 CO 0.09 0.45 0.52 0.54 0.00 0.00 0.00 175.10 176.71