#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s n GLU 5 N 0.00 -3.46 -3.45 0.00 1.02 -1.26 -5.08 120.64 108.42 3g4s n GLU 5 Ca 0.00 2.45 -0.10 0.00 -0.02 0.00 0.00 57.16 59.50 3g4s n GLU 5 Cb 0.00 -2.87 -0.09 0.00 -0.02 0.00 0.00 31.44 28.46 3g4s n GLU 5 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3g4s s PHE 6 N -0.79 -0.75 -1.08 -0.32 5.36 -1.26 -5.09 117.98 114.04 3g4s s PHE 6 Ca 0.00 0.96 -0.22 0.00 -0.96 0.00 0.00 56.93 56.70 3g4s s PHE 6 Cb 0.00 0.05 0.02 0.00 -0.34 0.00 0.00 43.02 42.75 3g4s s PHE 6 CO 0.00 -0.63 1.69 0.34 -1.46 0.00 0.00 175.22 175.15 3g4s s ASP 7 N 2.54 6.08 0.03 6.13 -1.08 -1.26 -4.97 116.67 124.14 3g4s s ASP 7 Ca 0.08 -1.52 -0.21 0.00 -0.52 0.00 0.00 52.55 50.39 3g4s s ASP 7 Cb -0.14 -2.57 -0.06 0.00 -1.46 0.00 0.00 42.92 38.68 3g4s s ASP 7 CO -0.14 -1.91 0.61 0.00 0.52 0.00 0.00 175.17 174.24 3g4s s ALA 8 N 6.73 3.51 -0.10 3.66 0.00 -1.26 -4.88 121.76 129.41 3g4s s ALA 8 Ca 0.56 0.06 -0.10 0.00 0.00 0.00 0.00 51.96 52.49 3g4s s ALA 8 Cb -0.01 -2.73 -0.08 0.00 0.00 0.00 0.00 23.12 20.30 3g4s s ALA 8 CO -0.01 0.24 0.29 -0.44 0.00 0.00 0.00 175.76 175.84 3g4s h ASP 9 N 5.21 -0.04 -3.72 0.00 3.32 -1.32 -3.46 116.42 116.41 3g4s h ASP 9 Ca -0.47 -0.27 -0.68 0.00 0.02 0.00 0.00 57.03 55.63 3g4s h ASP 9 Cb 1.21 0.01 -0.19 0.00 0.22 0.00 0.00 39.33 40.57 3g4s h ASP 9 CO 0.67 0.59 -0.72 -0.69 -1.72 0.00 0.00 179.24 177.37 3g4s s VAL 10 N -1.95 3.53 -0.12 -1.35 1.01 -1.11 -5.02 120.40 115.39 3g4s s VAL 10 Ca -0.06 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.27 3g4s s VAL 10 Cb -0.01 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.92 3g4s s VAL 10 CO 0.22 0.51 -0.13 -0.63 0.00 0.00 0.00 175.10 175.08 3g4s s ILE 11 N -0.87 1.39 -0.06 2.22 1.01 -1.26 -1.98 121.20 121.65 3g4s s ILE 11 Ca 0.14 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.27 3g4s s ILE 11 Cb -0.11 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 3g4s s ILE 11 CO 0.04 0.43 -0.11 -0.69 0.00 0.00 0.00 174.94 174.60 3g4s s VAL 12 N 1.37 3.37 -0.25 2.92 1.01 -0.17 -1.81 120.40 126.82 3g4s s VAL 12 Ca 0.01 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.26 3g4s s VAL 12 Cb -0.13 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 3g4s s VAL 12 CO -0.07 0.59 0.27 -0.62 0.00 0.00 0.00 175.10 175.27 3g4s s ASP 13 N -0.70 6.18 0.00 3.32 3.68 0.15 -0.00 116.67 129.30 3g4s s ASP 13 Ca 0.11 0.19 0.27 0.00 2.13 0.00 0.00 52.55 55.25 3g4s s ASP 13 Cb -0.11 -2.16 0.90 0.00 -1.45 0.00 0.00 42.92 40.10 3g4s s ASP 13 CO 0.01 -0.07 1.67 0.00 0.13 0.00 0.00 175.17 176.91 3g4s n ALA 14 N 4.87 3.01 -1.59 3.66 0.00 -0.13 -4.67 120.51 125.66 3g4s n ALA 14 Ca -0.12 -0.30 -0.50 0.00 0.00 0.00 0.00 53.44 52.52 3g4s n ALA 14 Cb 0.51 -1.24 -0.06 0.00 0.00 0.00 0.00 19.45 18.67 3g4s n ALA 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3g4s n ARG 15 N -1.11 1.58 -2.33 0.00 0.63 -1.25 -1.12 116.66 113.07 3g4s n ARG 15 Ca 0.10 0.52 -0.19 0.00 -0.92 0.00 0.00 57.85 57.36 3g4s n ARG 15 Cb 0.32 -2.55 -0.02 0.00 0.45 0.00 0.00 32.46 30.66 3g4s n ARG 15 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3g4s n ASP 16 N 8.14 -5.53 -4.49 6.15 8.00 -0.96 -4.92 116.55 122.93 3g4s n ASP 16 Ca 0.31 0.06 -0.34 0.00 0.71 0.00 0.00 54.79 55.54 3g4s n ASP 16 Cb 0.26 -4.65 -0.12 0.00 -0.02 0.00 0.00 41.12 36.59 3g4s n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g4s n ILE 18 N 3.40 0.07 -0.13 0.00 5.41 0.66 -3.21 119.36 125.56 3g4s n ILE 18 Ca -0.18 -0.67 -0.03 0.00 1.00 0.00 0.00 62.75 62.88 3g4s n ILE 18 Cb 0.53 -2.67 -0.03 0.00 -0.71 0.00 0.00 39.64 36.75 3g4s n ILE 18 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 3g4s n MET 19 N 8.90 -0.13 -0.34 0.38 0.00 -0.57 -1.45 117.12 123.91 3g4s n MET 19 Ca 0.35 0.59 -0.02 0.00 -0.00 0.00 0.00 57.70 58.63 3g4s n MET 19 Cb 0.50 -0.88 0.14 0.00 0.00 0.00 0.00 33.22 32.98 3g4s n MET 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3g4s h GLY 20 N 0.00 1.34 1.85 -5.12 0.00 -1.90 -1.11 103.07 98.12 3g4s h GLY 20 Ca 0.05 -0.50 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 3g4s h GLY 20 CO -0.28 0.49 -0.35 3.21 0.00 0.00 0.00 176.54 179.61 3g4s h ARG 21 N 1.29 0.17 -0.00 4.80 3.08 -1.65 -0.70 114.38 121.38 3g4s h ARG 21 Ca 0.35 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.33 3g4s h ARG 21 Cb -0.15 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.90 3g4s h ARG 21 CO -0.07 0.51 -0.01 0.28 -1.07 0.00 0.00 179.97 179.60 3g4s h VAL 22 N 0.15 1.61 -1.00 2.04 2.07 -1.09 -3.16 116.25 116.86 3g4s h VAL 22 Ca 0.02 -1.81 0.17 0.00 0.82 0.00 0.00 66.70 65.89 3g4s h VAL 22 Cb 0.70 2.84 -0.10 0.00 -1.52 0.00 0.00 31.29 33.21 3g4s h VAL 22 CO 0.05 0.47 0.62 0.00 0.02 0.00 0.00 177.57 178.73 3g4s h ALA 23 N 0.23 1.63 -0.08 1.67 0.00 -1.03 -0.35 119.26 121.34 3g4s h ALA 23 Ca -0.00 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3g4s h ALA 23 Cb 0.78 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3g4s h ALA 23 CO 0.00 0.03 -0.40 1.03 0.00 0.00 0.00 179.25 179.91 3g4s h SER 24 N 0.83 0.17 1.03 0.00 0.87 -1.19 0.57 113.55 115.83 3g4s h SER 24 Ca 0.55 -0.07 -0.17 0.00 -1.23 0.00 0.00 61.79 60.88 3g4s h SER 24 Cb 0.78 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.66 3g4s h SER 24 CO -0.34 0.56 -1.03 1.56 -0.53 0.00 0.00 176.83 177.05 3g4s h GLN 25 N 0.14 0.00 -0.00 2.24 4.20 -1.10 -2.86 115.11 117.73 3g4s h GLN 25 Ca 0.01 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.52 3g4s h GLN 25 Cb 0.77 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 3g4s h GLN 25 CO 0.06 0.52 -0.88 0.28 -0.67 0.00 0.00 178.83 178.14 3g4s h VAL 26 N 0.00 1.46 -0.19 -0.54 2.07 -0.83 -2.49 116.25 115.73 3g4s h VAL 26 Ca -0.09 -2.54 -0.12 0.00 0.82 0.00 0.00 66.70 64.77 3g4s h VAL 26 Cb 1.59 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 33.79 3g4s h VAL 26 CO 0.07 0.75 -0.35 0.00 0.02 0.00 0.00 177.57 178.06 3g4s h ALA 27 N 0.92 0.30 -0.33 1.67 0.00 -0.95 -1.72 119.26 119.16 3g4s h ALA 27 Ca -0.05 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3g4s h ALA 27 Cb 1.51 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 3g4s h ALA 27 CO 0.14 0.36 0.21 1.49 0.00 0.00 0.00 179.25 181.46 3g4s h GLU 28 N 0.25 0.43 0.00 0.00 4.57 -1.52 -2.79 114.58 115.53 3g4s h GLU 28 Ca 0.01 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.08 3g4s h GLU 28 Cb 0.94 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 3g4s h GLU 28 CO 0.08 0.29 -0.39 1.96 -1.18 0.00 0.00 179.01 179.77 3g4s h GLN 29 N 0.44 0.00 -0.28 1.92 4.20 -1.43 -2.74 115.11 117.22 3g4s h GLN 29 Ca 0.12 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.73 3g4s h GLN 29 Cb -0.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3g4s h GLN 29 CO -0.03 0.39 -0.26 0.00 -0.67 0.00 0.00 178.83 178.27 3g4s h ALA 30 N 1.61 1.03 0.00 3.87 0.00 -1.05 -1.06 119.26 123.67 3g4s h ALA 30 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3g4s h ALA 30 Cb 0.79 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3g4s h ALA 30 CO 0.05 0.58 0.00 -0.07 0.00 0.00 0.00 179.25 179.81 3g4s h LEU 31 N 0.48 0.00 0.00 0.00 3.38 -1.28 -2.86 115.31 115.04 3g4s h LEU 31 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3g4s h LEU 31 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3g4s h LEU 31 CO 0.05 0.00 -0.04 0.44 0.09 0.00 0.00 178.44 178.99 3g4s h ASP 32 N 0.00 0.00 0.00 -0.43 3.32 -1.26 -3.47 116.42 114.58 3g4s h ASP 32 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g4s h ASP 32 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 3g4s h ASP 32 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 3g4s n GLY 33 N 1.11 1.63 3.75 2.75 0.00 -1.08 -5.11 105.19 108.24 3g4s n GLY 33 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3g4s n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g4s s GLU 34 N -0.41 2.94 -0.85 1.61 0.41 -0.43 -5.03 118.70 116.94 3g4s s GLU 34 Ca 0.00 -0.56 -0.15 0.00 -0.41 0.00 0.00 54.97 53.86 3g4s s GLU 34 Cb 0.00 -2.77 0.21 0.00 -1.78 0.00 0.00 34.13 29.78 3g4s s GLU 34 CO 0.00 0.63 0.83 0.99 -0.49 0.00 0.00 175.26 177.22 3g4s s THR 35 N -1.18 5.50 0.29 3.63 2.01 -1.26 -4.32 115.64 120.31 3g4s s THR 35 Ca 0.22 -2.38 -0.17 0.00 0.31 0.00 0.00 61.69 59.68 3g4s s THR 35 Cb -0.12 -4.52 -0.09 0.00 0.01 0.00 0.00 72.50 67.79 3g4s s THR 35 CO 0.14 -1.10 0.73 -0.69 -0.69 0.00 0.00 174.62 173.00 3g4s s VAL 36 N 0.48 4.64 -0.19 3.82 1.01 -1.14 -0.76 120.40 128.26 3g4s s VAL 36 Ca 0.20 1.06 -0.05 0.00 0.00 0.00 0.00 61.98 63.20 3g4s s VAL 36 Cb -0.09 -3.70 0.07 0.00 0.00 0.00 0.00 36.38 32.66 3g4s s VAL 36 CO -0.09 -0.04 0.09 0.00 0.00 0.00 0.00 175.10 175.06 3g4s s ALA 37 N -1.82 0.50 -0.21 5.51 0.00 -0.84 -2.98 121.76 121.93 3g4s s ALA 37 Ca 0.50 -0.48 -0.25 0.00 0.00 0.00 0.00 51.96 51.73 3g4s s ALA 37 Cb -0.12 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 3g4s s ALA 37 CO 0.19 -1.26 0.84 0.08 0.00 0.00 0.00 175.76 175.60 3g4s s VAL 38 N 2.11 4.85 0.10 0.00 1.01 -1.01 -1.00 120.40 126.46 3g4s s VAL 38 Ca 0.03 1.61 0.06 0.00 0.00 0.00 0.00 61.98 63.69 3g4s s VAL 38 Cb -0.16 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 3g4s s VAL 38 CO -0.14 -0.03 -0.07 -0.69 0.00 0.00 0.00 175.10 174.17 3g4s s VAL 39 N 2.52 3.55 -0.99 2.92 1.01 0.10 0.28 120.40 129.78 3g4s s VAL 39 Ca 0.37 -1.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 3g4s s VAL 39 Cb -0.16 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 3g4s s VAL 39 CO 0.10 0.12 0.84 0.59 0.00 0.00 0.00 175.10 176.75 3g4s n ASN 40 N 0.68 -3.41 0.19 3.32 3.02 0.54 -0.95 115.26 118.64 3g4s n ASN 40 Ca -0.13 -0.56 0.05 0.00 -0.03 0.00 0.00 54.58 53.91 3g4s n ASN 40 Cb 0.52 -4.53 0.35 0.00 -0.61 0.00 0.00 39.78 35.51 3g4s n ASN 40 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g4s h ALA 41 N 0.49 1.08 -0.47 5.41 0.00 -1.76 -2.77 119.26 121.23 3g4s h ALA 41 Ca -0.52 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 53.95 3g4s h ALA 41 Cb 1.29 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3g4s h ALA 41 CO 0.41 0.48 -0.07 1.05 0.00 0.00 0.00 179.25 181.13 3g4s h GLU 42 N 0.00 0.83 -0.80 0.00 9.09 -1.85 -2.41 114.58 119.44 3g4s h GLU 42 Ca -0.00 -0.26 0.00 0.00 0.05 0.00 0.00 59.36 59.14 3g4s h GLU 42 Cb 0.84 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 27.86 3g4s h GLU 42 CO 0.05 0.88 0.00 0.54 0.05 0.00 0.00 179.01 180.53 3g4s n ARG 43 N -4.18 2.07 -2.04 1.06 1.74 -1.05 -3.16 116.66 111.11 3g4s n ARG 43 Ca 0.02 -0.90 -0.29 0.00 -0.77 0.00 0.00 57.85 55.91 3g4s n ARG 43 Cb 0.35 -1.66 0.17 0.00 -1.02 0.00 0.00 32.46 30.30 3g4s n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g4s s ALA 44 N -1.54 2.50 0.04 7.54 0.00 -0.91 -2.26 121.76 127.13 3g4s s ALA 44 Ca 0.16 -1.25 -0.10 0.00 0.00 0.00 0.00 51.96 50.77 3g4s s ALA 44 Cb 0.12 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.58 3g4s s ALA 44 CO 0.05 -2.23 0.20 0.54 0.00 0.00 0.00 175.76 174.32 3g4s s VAL 45 N -3.75 0.11 -0.07 0.00 0.11 -1.20 -2.97 120.40 112.63 3g4s s VAL 45 Ca 0.72 -0.88 -0.03 0.00 -2.93 0.00 0.00 61.98 58.86 3g4s s VAL 45 Cb -0.04 -0.92 0.04 0.00 -1.53 0.00 0.00 36.38 33.93 3g4s s VAL 45 CO 0.51 -0.49 0.13 -0.51 -3.33 0.00 0.00 175.10 171.41 3g4s s ILE 46 N -2.58 -0.18 0.28 7.04 2.07 -0.85 -1.51 121.20 125.48 3g4s s ILE 46 Ca -0.05 0.34 -0.29 0.00 -1.41 0.00 0.00 60.65 59.24 3g4s s ILE 46 Cb -0.01 -0.24 -0.09 0.00 0.13 0.00 0.00 42.46 42.25 3g4s s ILE 46 CO -0.04 0.14 1.07 -0.89 -1.91 0.00 0.00 174.94 173.32 3g4s s THR 47 N 2.04 3.58 0.00 4.00 2.01 -1.26 -1.32 115.64 124.68 3g4s s THR 47 Ca 0.01 1.56 0.00 0.00 0.31 0.00 0.00 61.69 63.57 3g4s s THR 47 Cb -0.12 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.41 3g4s s THR 47 CO -0.05 0.35 0.00 0.61 -0.69 0.00 0.00 174.62 174.84 3g4s n GLY 48 N 1.16 2.23 3.68 4.40 0.00 -0.97 -4.95 105.19 110.74 3g4s n GLY 48 Ca -0.01 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 3g4s n GLY 48 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3g4s n ARG 49 N -1.28 2.71 -0.31 1.61 0.63 -1.26 -3.50 116.66 115.26 3g4s n ARG 49 Ca 0.00 0.99 0.04 0.00 -0.92 0.00 0.00 57.85 57.96 3g4s n ARG 49 Cb 0.00 -2.88 0.19 0.00 0.45 0.00 0.00 32.46 30.22 3g4s n ARG 49 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3g4s h GLU 50 N 8.81 0.78 -0.25 -0.14 4.81 -1.95 -2.22 114.58 124.41 3g4s h GLU 50 Ca -0.47 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 3g4s h GLU 50 Cb 1.23 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 3g4s h GLU 50 CO 0.94 0.52 -0.02 0.93 -0.73 0.00 0.00 179.01 180.65 3g4s h GLU 51 N 0.80 0.38 0.01 1.92 3.07 -2.00 -2.12 114.58 116.64 3g4s h GLU 51 Ca 0.43 -0.07 -0.27 0.00 -0.50 0.00 0.00 59.36 58.95 3g4s h GLU 51 Cb 0.44 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.25 3g4s h GLU 51 CO -0.27 0.42 -1.50 -0.56 -1.40 0.00 0.00 179.01 175.70 3g4s h GLN 52 N 0.37 0.01 -0.07 2.33 -0.00 -1.86 -3.01 115.11 112.88 3g4s h GLN 52 Ca 0.08 -0.02 -0.15 0.00 -0.00 0.00 0.00 58.65 58.56 3g4s h GLN 52 Cb 0.28 0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.76 3g4s h GLN 52 CO 0.01 0.67 -0.64 0.82 -0.00 0.00 0.00 178.83 179.69 3g4s h ILE 53 N 0.00 1.39 -0.13 1.86 2.04 -1.31 -2.97 117.51 118.39 3g4s h ILE 53 Ca -0.21 -2.04 -0.17 0.00 1.00 0.00 0.00 64.86 63.45 3g4s h ILE 53 Cb 1.94 2.04 0.01 0.00 -0.74 0.00 0.00 36.82 40.07 3g4s h ILE 53 CO 0.10 0.60 -0.58 0.58 0.00 0.00 0.00 178.15 178.85 3g4s h VAL 54 N 0.20 1.33 -0.72 1.67 2.07 -1.49 -2.83 116.25 116.48 3g4s h VAL 54 Ca -0.01 -1.85 0.04 0.00 0.82 0.00 0.00 66.70 65.70 3g4s h VAL 54 Cb 1.16 2.09 -0.05 0.00 -1.52 0.00 0.00 31.29 32.97 3g4s h VAL 54 CO 0.10 0.57 0.44 -0.33 0.02 0.00 0.00 177.57 178.37 3g4s h GLU 55 N 0.27 0.81 -0.49 1.57 5.08 -1.53 0.27 114.58 120.57 3g4s h GLU 55 Ca -0.03 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3g4s h GLU 55 Cb 1.21 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 3g4s h GLU 55 CO 0.12 0.53 0.16 -0.22 -1.00 0.00 0.00 179.01 178.61 3g4s h LYS 56 N 0.83 0.75 0.00 2.33 3.64 -1.55 -1.30 116.57 121.27 3g4s h LYS 56 Ca 0.30 -0.15 -0.15 0.00 -1.27 0.00 0.00 60.65 59.38 3g4s h LYS 56 Cb 0.09 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3g4s h LYS 56 CO -0.14 0.70 -0.70 1.88 -2.27 0.00 0.00 179.45 178.92 3g4s h TYR 57 N 0.65 0.00 -0.02 1.91 -1.99 -1.17 -3.07 116.97 113.28 3g4s h TYR 57 Ca 0.16 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.72 3g4s h TYR 57 Cb 0.25 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.97 3g4s h TYR 57 CO 0.01 0.70 -0.76 0.93 -0.00 0.00 0.00 178.16 179.04 3g4s h GLU 58 N 0.00 0.19 -0.53 4.88 5.08 -0.26 -3.14 114.58 120.80 3g4s h GLU 58 Ca -0.01 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 3g4s h GLU 58 Cb 1.30 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 3g4s h GLU 58 CO 0.09 0.86 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.71 3g4s h LYS 59 N 0.12 0.93 0.00 2.33 1.63 -1.20 -2.60 116.57 117.79 3g4s h LYS 59 Ca -0.03 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.48 3g4s h LYS 59 Cb 1.33 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 3g4s h LYS 59 CO 0.11 0.94 0.00 0.00 -3.45 0.00 0.00 179.45 177.06 3g4s h ARG 60 N 0.85 0.00 0.02 1.90 3.08 -1.48 -0.74 114.38 118.00 3g4s h ARG 60 Ca 0.15 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.91 3g4s h ARG 60 Cb 0.54 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 3g4s h ARG 60 CO 0.03 0.00 -1.64 0.28 -1.07 0.00 0.00 179.97 177.57 3g4s h VAL 61 N 0.00 0.95 0.00 2.04 2.07 -1.49 -3.32 116.25 116.50 3g4s h VAL 61 Ca 0.00 -2.76 -0.06 0.00 0.82 0.00 0.00 66.70 64.70 3g4s h VAL 61 Cb 0.32 2.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 3g4s h VAL 61 CO 0.00 0.60 -0.27 0.44 0.02 0.00 0.00 177.57 178.36 3g4s h ASP 62 N 0.01 0.00 -3.35 0.57 3.32 -0.93 -3.45 116.42 112.59 3g4s h ASP 62 Ca -0.26 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.26 3g4s h ASP 62 Cb 1.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.54 3g4s h ASP 62 CO 0.09 0.27 0.51 -0.63 -1.72 0.00 0.00 179.24 177.76 3g4s s ILE 63 N -3.23 4.06 0.00 0.35 1.01 -0.40 -4.97 121.20 118.02 3g4s s ILE 63 Ca 0.04 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.26 3g4s s ILE 63 Cb 0.08 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.54 3g4s s ILE 63 CO 0.69 0.18 0.00 0.61 0.00 0.00 0.00 174.94 176.41 3g4s n GLY 64 N 2.75 2.71 0.00 6.18 0.00 -1.26 -4.62 105.19 110.95 3g4s n GLY 64 Ca 0.06 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3g4s n GLY 64 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3g4s n ASN 65 N 0.00 0.00 0.27 1.61 0.23 -1.26 -4.96 115.26 111.15 3g4s n ASN 65 Ca 0.00 -0.26 0.13 0.00 -0.53 0.00 0.00 54.58 53.92 3g4s n ASN 65 Cb 0.00 0.00 0.76 0.00 -2.08 0.00 0.00 39.78 38.46 3g4s n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3g4s h ASP 66 N 0.00 0.00 0.02 0.53 3.32 -2.04 -1.03 116.42 117.23 3g4s h ASP 66 Ca 0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 3g4s h ASP 66 Cb 0.00 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.57 3g4s h ASP 66 CO 0.00 0.10 -1.04 -1.13 -1.72 0.00 0.00 179.24 175.44 3g4s h ASN 67 N 0.00 0.88 -4.95 6.45 -0.73 -2.05 -3.50 115.58 111.69 3g4s h ASN 67 Ca -0.00 -0.75 0.00 0.00 1.87 0.00 0.00 56.30 57.41 3g4s h ASN 67 Cb 0.27 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.59 3g4s h ASN 67 CO 0.01 1.53 0.00 0.61 -0.37 0.00 0.00 177.43 179.21 3g4s n GLY 68 N 1.14 1.64 3.05 1.57 0.00 -0.39 -5.02 105.19 107.17 3g4s n GLY 68 Ca -0.11 -1.92 0.03 0.00 0.00 0.00 0.00 46.02 44.01 3g4s n GLY 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3g4s s TYR 69 N -2.56 -1.06 -0.27 1.61 5.04 -1.26 -4.62 117.35 114.24 3g4s s TYR 69 Ca 0.00 0.36 -0.22 0.00 -2.44 0.00 0.00 57.07 54.77 3g4s s TYR 69 Cb 0.00 0.19 -0.01 0.00 0.35 0.00 0.00 41.96 42.49 3g4s s TYR 69 CO 0.00 -0.67 0.69 0.12 -1.34 0.00 0.00 175.55 174.34 3g4s s PHE 70 N 2.33 3.26 -0.12 4.97 5.36 -1.26 -4.73 117.98 127.78 3g4s s PHE 70 Ca 0.17 0.83 0.02 0.00 -0.96 0.00 0.00 56.93 56.99 3g4s s PHE 70 Cb -0.02 -2.97 -0.01 0.00 -0.34 0.00 0.00 43.02 39.68 3g4s s PHE 70 CO -0.17 -0.41 -0.18 -0.47 -1.46 0.00 0.00 175.22 172.54 3g4s s TYR 71 N 2.66 2.70 0.33 10.12 5.04 -1.26 -5.11 117.35 131.83 3g4s s TYR 71 Ca 0.28 -0.90 -0.28 0.00 -2.44 0.00 0.00 57.07 53.73 3g4s s TYR 71 Cb -0.15 -1.80 -0.10 0.00 0.35 0.00 0.00 41.96 40.26 3g4s s TYR 71 CO 0.09 -0.36 1.22 -1.25 -1.34 0.00 0.00 175.55 173.92 3g4s s PRO 72 N 0.45 4.37 -0.26 4.97 0.04 -1.26 -4.92 135.00 138.37 3g4s s PRO 72 Ca -0.13 2.03 -0.06 0.00 0.04 0.00 0.00 61.00 62.88 3g4s s PRO 72 Cb -0.17 -3.02 -0.15 0.00 0.04 0.00 0.00 34.50 31.20 3g4s s PRO 72 CO 0.06 -0.11 -0.27 1.63 0.04 0.00 0.00 177.00 178.35 3g4s n LYS 73 N 0.75 0.62 -1.76 4.56 5.02 -1.26 -4.67 118.16 121.43 3g4s n LYS 73 Ca 0.01 0.22 -0.41 0.00 -2.02 0.00 0.00 58.31 56.10 3g4s n LYS 73 Cb 0.44 -1.52 -0.00 0.00 -0.02 0.00 0.00 35.03 33.93 3g4s n LYS 73 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3g4s n ARG 74 N -3.77 2.57 0.00 1.97 1.74 -1.26 -4.38 116.66 113.53 3g4s n ARG 74 Ca -0.50 0.90 0.03 0.00 -0.77 0.00 0.00 57.85 57.52 3g4s n ARG 74 Cb 0.94 -2.61 0.15 0.00 -1.02 0.00 0.00 32.46 29.92 3g4s n ARG 74 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3g4s n PRO 75 N 0.61 0.02 0.13 5.56 -0.04 -1.26 -2.50 135.00 137.52 3g4s n PRO 75 Ca 0.03 0.34 -0.05 0.00 -0.04 0.00 0.00 63.50 63.78 3g4s n PRO 75 Cb 0.38 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.32 3g4s n PRO 75 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 3g4s h ASP 76 N 0.00 -0.28 1.34 3.54 1.82 -1.90 -3.28 116.42 117.66 3g4s h ASP 76 Ca 0.00 0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.60 3g4s h ASP 76 Cb 0.10 0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.18 3g4s h ASP 76 CO 0.00 -0.18 -0.25 1.23 -1.61 0.00 0.00 179.24 178.43 3g4s h GLY 77 N -0.35 0.00 1.68 -0.78 0.00 -1.86 -3.21 103.07 98.55 3g4s h GLY 77 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3g4s h GLY 77 CO 0.05 0.00 0.21 -2.22 0.00 0.00 0.00 176.54 174.58 3g4s h ILE 78 N 0.00 1.09 0.02 2.60 2.04 -1.57 0.11 117.51 121.80 3g4s h ILE 78 Ca -0.00 -0.18 -0.26 0.00 1.00 0.00 0.00 64.86 65.42 3g4s h ILE 78 Cb 0.98 0.62 0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3g4s h ILE 78 CO 0.03 0.09 -1.04 0.15 0.00 0.00 0.00 178.15 177.38 3g4s h PHE 79 N 0.44 1.01 0.00 1.37 3.57 -1.61 -2.67 116.94 119.05 3g4s h PHE 79 Ca 0.12 -0.56 -0.04 0.00 3.53 0.00 0.00 57.97 61.02 3g4s h PHE 79 Cb -0.04 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 3g4s h PHE 79 CO 0.00 1.40 -0.18 -0.22 -2.23 0.00 0.00 178.31 177.08 3g4s h LYS 80 N 0.33 0.00 0.00 1.11 1.63 -1.35 -2.10 116.57 116.20 3g4s h LYS 80 Ca -0.14 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.50 3g4s h LYS 80 Cb 1.71 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.31 3g4s h LYS 80 CO 0.20 0.18 -1.15 -0.09 -3.45 0.00 0.00 179.45 175.14 3g4s h ARG 81 N 0.00 0.00 -0.01 1.90 9.65 -0.79 -3.05 114.38 122.09 3g4s h ARG 81 Ca -0.00 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.72 3g4s h ARG 81 Cb 0.38 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.94 3g4s h ARG 81 CO 0.02 0.41 -0.72 1.15 2.80 0.00 0.00 179.97 183.63 3g4s h THR 82 N 0.00 1.49 -0.17 0.20 2.02 -1.05 -2.44 112.91 112.97 3g4s h THR 82 Ca -0.12 -2.41 -0.16 0.00 0.77 0.00 0.00 66.41 64.50 3g4s h THR 82 Cb 1.57 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 70.27 3g4s h THR 82 CO 0.06 0.69 -0.57 0.40 0.37 0.00 0.00 175.52 176.47 3g4s h ILE 83 N 0.04 1.33 0.00 3.11 2.04 -1.47 -2.62 117.51 119.94 3g4s h ILE 83 Ca -0.01 -1.84 -0.03 0.00 1.00 0.00 0.00 64.86 63.97 3g4s h ILE 83 Cb 1.28 1.82 -0.00 0.00 -0.74 0.00 0.00 36.82 39.18 3g4s h ILE 83 CO 0.10 0.57 -0.17 -0.09 0.00 0.00 0.00 178.15 178.56 3g4s h ARG 84 N 0.39 0.00 -0.00 2.37 2.43 -1.38 -1.40 114.38 116.79 3g4s h ARG 84 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3g4s h ARG 84 Cb 1.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3g4s h ARG 84 CO 0.11 0.17 -0.01 0.41 -1.51 0.00 0.00 179.97 179.13 3g4s n GLY 85 N -0.37 -0.70 0.04 2.80 0.00 -0.94 -3.09 105.19 102.94 3g4s n GLY 85 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3g4s n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3g4s n MET 86 N -0.65 -0.52 -4.79 1.61 2.81 -0.55 -5.02 117.12 110.01 3g4s n MET 86 Ca 0.21 -0.65 -0.27 0.00 -1.81 0.00 0.00 57.70 55.18 3g4s n MET 86 Cb 0.21 -1.02 -0.15 0.00 -0.71 0.00 0.00 33.22 31.55 3g4s n MET 86 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3g4s s LEU 87 N -0.16 2.14 -1.60 4.03 1.43 -1.06 -4.94 118.68 118.52 3g4s s LEU 87 Ca 0.01 -0.51 -0.10 0.00 -1.03 0.00 0.00 54.13 52.50 3g4s s LEU 87 Cb 0.01 -1.07 -0.07 0.00 0.03 0.00 0.00 46.19 45.09 3g4s s LEU 87 CO 0.01 0.20 2.87 -0.81 0.23 0.00 0.00 176.35 178.86 3g4s n PRO 88 N 1.99 3.67 0.00 1.29 -0.04 -1.26 -4.76 135.00 135.89 3g4s n PRO 88 Ca -0.17 -2.30 0.00 0.00 -0.04 0.00 0.00 63.50 60.99 3g4s n PRO 88 Cb 0.53 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 3g4s n PRO 88 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3g4s n HIS 89 N 3.74 0.00 0.14 0.54 1.44 -1.26 -0.78 115.22 119.04 3g4s n HIS 89 Ca 0.76 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 56.55 3g4s n HIS 89 Cb 0.25 -0.14 0.15 0.00 0.12 0.00 0.00 29.99 30.37 3g4s n HIS 89 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3g4s n LYS 90 N -1.06 2.13 -3.59 -1.40 5.02 -1.26 -4.46 118.16 113.53 3g4s n LYS 90 Ca 0.00 -1.93 -0.21 0.00 -2.02 0.00 0.00 58.31 54.15 3g4s n LYS 90 Cb 0.22 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 3g4s n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3g4s s LYS 91 N -1.14 2.62 0.04 1.97 -0.14 0.04 -5.02 119.74 118.11 3g4s s LYS 91 Ca 0.27 -1.44 -0.31 0.00 -1.36 0.00 0.00 55.97 53.14 3g4s s LYS 91 Cb 0.16 -2.44 -0.17 0.00 -1.68 0.00 0.00 37.83 33.70 3g4s s LYS 91 CO 0.22 -0.11 1.40 0.37 -0.76 0.00 0.00 175.35 176.46 3g4s h GLN 92 N 1.06 -1.06 -0.47 1.68 4.15 -1.94 -2.68 115.11 115.85 3g4s h GLN 92 Ca -0.42 0.07 0.08 0.00 0.77 0.00 0.00 58.65 59.15 3g4s h GLN 92 Cb 1.26 0.24 -0.07 0.00 0.21 0.00 0.00 27.48 29.13 3g4s h GLN 92 CO 0.57 -0.71 0.07 -0.09 -1.93 0.00 0.00 178.83 176.74 3g4s h ARG 93 N -1.16 0.19 0.00 1.69 2.43 -1.97 -2.10 114.38 113.46 3g4s h ARG 93 Ca -0.11 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 3g4s h ARG 93 Cb 0.85 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3g4s h ARG 93 CO 0.19 0.13 -0.04 0.78 -1.51 0.00 0.00 179.97 179.52 3g4s h GLY 94 N 0.20 0.00 0.77 2.80 0.00 -1.73 -2.26 103.07 102.85 3g4s h GLY 94 Ca 0.24 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.32 3g4s h GLY 94 CO -0.33 0.00 -1.15 -0.09 0.00 0.00 0.00 176.54 174.97 3g4s h ARG 95 N 0.00 0.34 -0.41 4.80 2.43 -1.02 -2.92 114.38 117.60 3g4s h ARG 95 Ca -0.00 -0.58 -0.03 0.00 -0.81 0.00 0.00 59.98 58.56 3g4s h ARG 95 Cb 0.43 0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 3g4s h ARG 95 CO 0.00 1.28 0.11 0.93 -1.51 0.00 0.00 179.97 180.78 3g4s h GLU 96 N -0.23 0.60 -0.15 0.20 5.08 -1.32 0.49 114.58 119.24 3g4s h GLU 96 Ca -0.22 -0.10 -0.19 0.00 -1.00 0.00 0.00 59.36 57.86 3g4s h GLU 96 Cb 1.80 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.96 3g4s h GLU 96 CO 0.15 0.54 -0.63 0.00 -1.00 0.00 0.00 179.01 178.07 3g4s h ALA 97 N 1.54 0.28 -0.39 3.43 0.00 -1.52 -2.82 119.26 119.77 3g4s h ALA 97 Ca 0.14 -0.55 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 3g4s h ALA 97 Cb 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3g4s h ALA 97 CO -0.00 0.55 -0.28 0.35 0.00 0.00 0.00 179.25 179.87 3g4s h PHE 98 N 0.38 1.03 0.00 0.00 3.57 -1.29 -2.76 116.94 117.87 3g4s h PHE 98 Ca -0.04 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 61.18 3g4s h PHE 98 Cb 1.27 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.78 3g4s h PHE 98 CO 0.10 1.08 0.00 0.39 -2.23 0.00 0.00 178.31 177.64 3g4s n GLU 99 N -4.16 0.10 -1.26 1.11 1.02 0.14 -2.06 120.64 115.52 3g4s n GLU 99 Ca -0.02 0.26 -0.23 0.00 -0.02 0.00 0.00 57.16 57.15 3g4s n GLU 99 Cb 0.48 -1.66 0.13 0.00 -0.02 0.00 0.00 31.44 30.37 3g4s n GLU 99 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3g4s n SER 100 N -1.85 4.89 -3.70 1.62 3.41 -1.04 -4.81 113.62 112.14 3g4s n SER 100 Ca 0.04 -3.73 -0.15 0.00 -0.26 0.00 0.00 58.87 54.77 3g4s n SER 100 Cb 0.25 -0.78 -0.15 0.00 -0.26 0.00 0.00 64.21 63.27 3g4s n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3g4s s VAL 101 N -3.94 -0.19 -0.02 -3.33 1.01 -0.88 -2.89 120.40 110.16 3g4s s VAL 101 Ca 0.56 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.84 3g4s s VAL 101 Cb 0.47 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 36.56 3g4s s VAL 101 CO 0.04 0.12 -0.05 -0.13 0.00 0.00 0.00 175.10 175.08 3g4s s ARG 102 N 1.87 0.56 -0.14 2.72 0.52 -1.16 -4.95 118.95 118.38 3g4s s ARG 102 Ca -0.02 -0.14 -0.07 0.00 -0.52 0.00 0.00 55.73 54.99 3g4s s ARG 102 Cb -0.12 -0.57 -0.04 0.00 0.52 0.00 0.00 34.95 34.74 3g4s s ARG 102 CO -0.06 0.03 0.11 0.08 0.02 0.00 0.00 175.30 175.48 3g4s s VAL 103 N 0.34 5.24 0.06 3.52 1.01 -1.26 -2.42 120.40 126.89 3g4s s VAL 103 Ca -0.04 0.11 0.08 0.00 0.00 0.00 0.00 61.98 62.13 3g4s s VAL 103 Cb -0.08 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3g4s s VAL 103 CO -0.00 0.57 -0.21 -0.31 0.00 0.00 0.00 175.10 175.14 3g4s s TYR 104 N -0.60 1.86 -0.48 5.22 1.51 0.14 -4.95 117.35 120.05 3g4s s TYR 104 Ca 0.12 -0.39 -0.23 0.00 -1.01 0.00 0.00 57.07 55.57 3g4s s TYR 104 Cb -0.12 -1.09 0.03 0.00 -0.11 0.00 0.00 41.96 40.67 3g4s s TYR 104 CO 0.02 0.12 0.79 -0.51 -1.11 0.00 0.00 175.55 174.87 3g4s s LEU 105 N -1.35 4.31 0.00 -1.29 1.43 -1.26 -2.48 118.68 118.04 3g4s s LEU 105 Ca 0.08 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 3g4s s LEU 105 Cb -0.09 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.26 3g4s s LEU 105 CO 0.02 -0.97 0.00 0.61 0.23 0.00 0.00 176.35 176.24 3g4s n GLY 106 N 5.04 0.80 2.81 -3.19 0.00 -1.26 -4.82 105.19 104.56 3g4s n GLY 106 Ca 0.01 -1.32 -0.16 0.00 0.00 0.00 0.00 46.02 44.55 3g4s n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3g4s s ASN 107 N -4.00 1.05 0.00 1.61 3.04 -1.26 -0.34 114.94 115.04 3g4s s ASN 107 Ca 0.00 -0.04 0.29 0.00 0.04 0.00 0.00 52.86 53.15 3g4s s ASN 107 Cb 0.00 0.54 1.20 0.00 -1.54 0.00 0.00 41.25 41.45 3g4s s ASN 107 CO 0.00 -0.31 1.87 -0.81 -3.04 0.00 0.00 177.10 174.81 3g4s n PRO 108 N 5.33 0.29 -2.26 0.43 -0.04 -1.26 -4.88 135.00 132.61 3g4s n PRO 108 Ca -0.05 -0.06 -0.12 0.00 -0.04 0.00 0.00 63.50 63.22 3g4s n PRO 108 Cb 0.50 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.49 3g4s n PRO 108 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3g4s n TYR 109 N -1.30 -2.39 -0.09 0.54 0.53 -1.26 -5.07 117.16 108.13 3g4s n TYR 109 Ca 0.11 -1.28 -0.11 0.00 -1.02 0.00 0.00 57.90 55.60 3g4s n TYR 109 Cb 0.30 -0.32 -0.09 0.00 -1.03 0.00 0.00 39.34 38.20 3g4s n TYR 109 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 3g4s n ASP 110 N -2.52 2.36 -4.73 7.72 8.00 -1.26 -4.98 116.55 121.13 3g4s n ASP 110 Ca 0.09 -0.08 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 3g4s n ASP 110 Cb 0.36 -0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 3g4s n ASP 110 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3g4s s GLU 111 N -2.36 4.41 0.45 -1.24 2.12 -1.26 -5.01 118.70 115.82 3g4s s GLU 111 Ca -0.21 1.99 -0.22 0.00 0.36 0.00 0.00 54.97 56.89 3g4s s GLU 111 Cb 0.06 -3.22 -0.09 0.00 0.26 0.00 0.00 34.13 31.14 3g4s s GLU 111 CO 0.45 -0.22 1.04 -0.51 -0.54 0.00 0.00 175.26 175.48 3g4s s ASP 112 N 0.40 6.53 0.39 -1.70 1.11 -1.26 -5.04 116.67 117.10 3g4s s ASP 112 Ca 0.56 1.96 -0.14 0.00 0.18 0.00 0.00 52.55 55.12 3g4s s ASP 112 Cb -0.35 -2.57 -0.08 0.00 1.07 0.00 0.00 42.92 40.99 3g4s s ASP 112 CO 0.36 -0.65 0.80 -0.83 1.18 0.00 0.00 175.17 176.04 3g4s s GLY 113 N -1.83 2.14 0.48 0.21 0.00 -1.26 -5.00 107.32 102.06 3g4s s GLY 113 Ca 0.63 -0.01 -0.08 0.00 0.00 0.00 0.00 44.72 45.27 3g4s s GLY 113 CO 0.22 0.21 0.82 -1.83 0.00 0.00 0.00 173.10 172.53 3g4s s GLU 114 N -3.50 3.63 -0.35 2.90 -1.05 -0.75 -4.30 118.70 115.28 3g4s s GLU 114 Ca 0.54 0.38 -0.03 0.00 -0.15 0.00 0.00 54.97 55.71 3g4s s GLU 114 Cb -0.10 -2.33 0.07 0.00 -0.44 0.00 0.00 34.13 31.33 3g4s s GLU 114 CO 0.25 -0.21 0.11 0.08 0.95 0.00 0.00 175.26 176.43 3g4s s VAL 115 N -2.69 3.29 0.62 1.83 1.01 -1.26 -0.68 120.40 122.52 3g4s s VAL 115 Ca 0.50 -1.60 -0.18 0.00 0.00 0.00 0.00 61.98 60.70 3g4s s VAL 115 Cb -0.10 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 3g4s s VAL 115 CO 0.42 -0.36 1.23 -0.76 0.00 0.00 0.00 175.10 175.64 3g4s s LEU 116 N 1.24 3.61 0.17 3.92 1.43 -1.26 -4.95 118.68 122.85 3g4s s LEU 116 Ca 0.01 2.46 -0.31 0.00 -1.03 0.00 0.00 54.13 55.26 3g4s s LEU 116 Cb -0.21 -4.60 -0.10 0.00 0.03 0.00 0.00 46.19 41.31 3g4s s LEU 116 CO -0.01 -1.77 1.52 -1.81 0.23 0.00 0.00 176.35 174.50 3g4s s ASP 117 N -1.57 6.63 0.00 2.29 1.01 -1.26 -3.18 116.67 120.59 3g4s s ASP 117 Ca 0.79 2.59 0.00 0.00 0.71 0.00 0.00 52.55 56.64 3g4s s ASP 117 Cb -0.32 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.01 3g4s s ASP 117 CO 0.36 -0.78 0.00 0.61 0.21 0.00 0.00 175.17 175.57 3g4s n GLY 118 N 3.40 1.98 0.07 0.21 0.00 -1.26 -4.91 105.19 104.68 3g4s n GLY 118 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 3g4s n GLY 118 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3g4s h THR 119 N 0.00 1.65 -3.85 2.61 1.35 -1.91 -3.48 112.91 109.28 3g4s h THR 119 Ca 0.00 -3.34 -0.51 0.00 -0.55 0.00 0.00 66.41 62.01 3g4s h THR 119 Cb 0.00 2.86 0.04 0.00 -1.73 0.00 0.00 68.15 69.32 3g4s h THR 119 CO 0.00 0.95 0.55 -0.55 -0.25 0.00 0.00 175.52 176.23 3g4s s SER 120 N -6.78 6.97 0.05 5.36 0.15 -1.26 -0.24 113.70 117.95 3g4s s SER 120 Ca -0.00 2.47 0.00 0.00 0.70 0.00 0.00 55.95 59.12 3g4s s SER 120 Cb 0.09 -2.64 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 3g4s s SER 120 CO 0.83 -0.37 0.17 -0.22 1.20 0.00 0.00 173.24 174.86 3g4s s LEU 121 N -1.70 4.23 -0.42 3.45 2.96 0.28 -4.88 118.68 122.60 3g4s s LEU 121 Ca 0.48 0.22 -0.11 0.00 -0.22 0.00 0.00 54.13 54.50 3g4s s LEU 121 Cb -0.35 -2.79 0.07 0.00 0.50 0.00 0.00 46.19 43.62 3g4s s LEU 121 CO 0.46 0.19 0.28 -0.62 -1.32 0.00 0.00 176.35 175.34 3g4s s ASP 122 N -2.37 5.75 0.52 3.68 2.15 -1.26 -4.94 116.67 120.20 3g4s s ASP 122 Ca 0.32 -1.41 0.21 0.00 0.43 0.00 0.00 52.55 52.11 3g4s s ASP 122 Cb -0.13 -2.03 1.39 0.00 -0.30 0.00 0.00 42.92 41.85 3g4s s ASP 122 CO 0.25 -0.54 2.13 0.03 -0.17 0.00 0.00 175.17 176.86 3g4s h ARG 123 N 8.48 0.00 0.00 4.34 3.08 -1.97 -0.81 114.38 127.50 3g4s h ARG 123 Ca -0.24 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.75 3g4s h ARG 123 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 3g4s h ARG 123 CO 0.77 0.07 -0.27 -0.07 -1.07 0.00 0.00 179.97 179.40 3g4s h LEU 124 N 0.00 0.00 0.00 3.04 3.38 -2.05 -3.13 115.31 116.55 3g4s h LEU 124 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g4s h LEU 124 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3g4s h LEU 124 CO 0.01 0.27 -1.25 -1.20 0.09 0.00 0.00 178.44 176.37 3g4s n SER 125 N -3.28 0.75 -4.11 -0.43 7.64 -0.65 -4.99 113.62 108.56 3g4s n SER 125 Ca 0.01 -0.75 -0.18 0.00 1.01 0.00 0.00 58.87 58.97 3g4s n SER 125 Cb 0.54 1.25 -0.13 0.00 -1.01 0.00 0.00 64.21 64.87 3g4s n SER 125 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3g4s s ASN 126 N -3.38 1.37 0.00 6.43 0.01 -0.40 -5.02 114.94 113.95 3g4s s ASN 126 Ca 0.04 -0.48 0.00 0.00 -0.71 0.00 0.00 52.86 51.71 3g4s s ASN 126 Cb 0.15 -0.05 0.00 0.00 0.41 0.00 0.00 41.25 41.76 3g4s s ASN 126 CO 0.88 -0.05 0.00 0.00 -1.51 0.00 0.00 177.10 176.42 3g4s n ILE 127 N 1.75 0.00 -3.00 0.60 3.06 -1.26 -4.65 119.36 115.86 3g4s n ILE 127 Ca -0.19 0.00 -0.44 0.00 -2.50 0.00 0.00 62.75 59.61 3g4s n ILE 127 Cb 0.55 -0.26 -0.03 0.00 0.54 0.00 0.00 39.64 40.44 3g4s n ILE 127 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 3g4s s LYS 128 N -1.31 3.57 0.31 9.51 1.02 -1.26 -4.93 119.74 126.65 3g4s s LYS 128 Ca 0.00 -1.85 -0.19 0.00 0.02 0.00 0.00 55.97 53.96 3g4s s LYS 128 Cb 0.00 -4.80 0.05 0.00 -0.52 0.00 0.00 37.83 32.57 3g4s s LYS 128 CO 0.00 -1.68 0.83 -0.59 -0.92 0.00 0.00 175.35 172.99 3g4s s PHE 129 N 2.28 0.02 0.05 3.18 -0.12 -1.23 -2.30 117.98 119.86 3g4s s PHE 129 Ca 0.29 -0.57 -0.01 0.00 -0.05 0.00 0.00 56.93 56.60 3g4s s PHE 129 Cb -0.07 0.77 -0.04 0.00 -0.63 0.00 0.00 43.02 43.06 3g4s s PHE 129 CO -0.08 -1.32 -0.03 0.08 -0.05 0.00 0.00 175.22 173.81 3g4s s VAL 130 N -2.73 0.23 0.04 -2.49 1.01 -0.44 -4.75 120.40 111.27 3g4s s VAL 130 Ca 0.15 -1.62 -0.07 0.00 0.00 0.00 0.00 61.98 60.44 3g4s s VAL 130 Cb -0.05 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 3g4s s VAL 130 CO 0.09 -0.88 0.31 -0.89 0.00 0.00 0.00 175.10 173.72 3g4s s THR 131 N -3.37 5.24 0.45 3.92 2.01 -1.26 -2.00 115.64 120.63 3g4s s THR 131 Ca 0.02 0.21 0.13 0.00 0.31 0.00 0.00 61.69 62.36 3g4s s THR 131 Cb 0.04 -3.59 0.20 0.00 0.01 0.00 0.00 72.50 69.16 3g4s s THR 131 CO -0.08 0.32 2.01 -0.07 -0.69 0.00 0.00 174.62 176.11 3g4s h LEU 132 N 3.81 0.08 -0.80 4.42 3.38 -1.61 -1.96 115.31 122.63 3g4s h LEU 132 Ca -0.49 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.35 3g4s h LEU 132 Cb 1.19 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 3g4s h LEU 132 CO 0.67 0.20 -0.55 1.23 0.09 0.00 0.00 178.44 180.08 3g4s h GLY 133 N 0.47 0.00 2.00 0.83 0.00 -1.83 -1.30 103.07 103.24 3g4s h GLY 133 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.21 3g4s h GLY 133 CO 0.01 0.00 -0.65 0.83 0.00 0.00 0.00 176.54 176.73 3g4s h GLU 134 N 0.00 0.00 -0.05 4.80 5.08 -1.69 -2.15 114.58 120.58 3g4s h GLU 134 Ca -0.01 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.10 3g4s h GLU 134 Cb 1.05 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.31 3g4s h GLU 134 CO 0.07 0.65 -0.96 0.82 -1.00 0.00 0.00 179.01 178.59 3g4s h ILE 135 N 0.00 1.28 0.00 3.13 2.04 -1.07 -3.19 117.51 119.70 3g4s h ILE 135 Ca -0.01 -2.17 -0.08 0.00 1.00 0.00 0.00 64.86 63.61 3g4s h ILE 135 Cb 1.18 2.26 -0.01 0.00 -0.74 0.00 0.00 36.82 39.51 3g4s h ILE 135 CO 0.08 0.68 -0.37 0.28 0.00 0.00 0.00 178.15 178.83 3g4s h SER 136 N 0.43 0.00 1.09 1.72 0.02 -1.05 -0.48 113.55 115.28 3g4s h SER 136 Ca -0.11 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.73 3g4s h SER 136 Cb 1.61 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.13 3g4s h SER 136 CO 0.19 0.37 -0.56 -0.33 -1.14 0.00 0.00 176.83 175.36 3g4s h GLU 137 N 0.00 0.00 0.00 3.45 5.08 -1.47 -1.09 114.58 120.55 3g4s h GLU 137 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3g4s h GLU 137 Cb 0.69 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3g4s h GLU 137 CO 0.05 0.56 -0.65 1.15 -1.00 0.00 0.00 179.01 179.12 3g4s h THR 138 N 0.00 0.47 0.11 1.13 2.02 -1.39 -3.31 112.91 111.94 3g4s h THR 138 Ca -0.01 -1.72 -0.27 0.00 0.77 0.00 0.00 66.41 65.18 3g4s h THR 138 Cb 1.25 2.11 -0.00 0.00 -1.74 0.00 0.00 68.15 69.78 3g4s h THR 138 CO 0.07 0.27 -1.25 -0.07 0.37 0.00 0.00 175.52 174.91 3g4s h LEU 139 N 0.00 0.37 0.00 2.58 3.38 -0.98 -3.48 115.31 117.17 3g4s h LEU 139 Ca -0.03 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3g4s h LEU 139 Cb 1.28 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3g4s h LEU 139 CO 0.04 1.32 0.00 0.61 0.09 0.00 0.00 178.44 180.50 3g4s n GLY 140 N 1.52 0.94 3.73 0.83 0.00 -1.01 -5.09 105.19 106.11 3g4s n GLY 140 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 3g4s n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g4s n ALA 141 N 0.00 -0.68 -3.43 4.61 0.00 -0.45 -5.05 120.51 115.51 3g4s n ALA 141 Ca 0.00 -1.77 -0.33 0.00 0.00 0.00 0.00 53.44 51.33 3g4s n ALA 141 Cb 0.00 0.10 -0.15 0.00 0.00 0.00 0.00 19.45 19.40 3g4s n ALA 141 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3g4s s ASN 142 N -5.32 3.77 -0.60 0.00 3.84 -1.26 -4.80 114.94 110.57 3g4s s ASN 142 Ca 0.68 -0.45 -0.26 0.00 0.21 0.00 0.00 52.86 53.05 3g4s s ASN 142 Cb -0.03 -1.59 -0.04 0.00 -0.55 0.00 0.00 41.25 39.05 3g4s s ASN 142 CO 0.47 0.08 2.02 -0.75 -2.79 0.00 0.00 177.10 176.13 3g4s s LYS 143 N 0.85 2.46 -0.01 0.43 2.20 -1.26 -4.75 119.74 119.65 3g4s s LYS 143 Ca -0.04 0.77 0.11 0.00 -0.36 0.00 0.00 55.97 56.44 3g4s s LYS 143 Cb -0.15 -4.48 0.30 0.00 -1.51 0.00 0.00 37.83 31.99 3g4s s LYS 143 CO -0.00 -2.95 1.25 -2.37 -0.36 0.00 0.00 175.35 170.92 3g4s n THR 144 N 7.49 1.08 0.57 3.43 5.66 -1.26 -5.24 114.28 126.01 3g4s n THR 144 Ca 0.26 -1.06 0.07 0.00 -3.05 0.00 0.00 64.05 60.27 3g4s n THR 144 Cb 0.52 0.45 0.06 0.00 -1.55 0.00 0.00 70.33 69.81 3g4s n THR 144 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35