#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m3u s VAL 2 N 0.00 4.94 0.45 3.15 1.01 -1.26 -1.74 120.40 126.95 3m3u s VAL 2 Ca 0.00 -0.24 -0.23 0.00 0.00 0.00 0.00 61.98 61.51 3m3u s VAL 2 Cb 0.00 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.13 3m3u s VAL 2 CO 0.00 -0.60 1.12 -0.36 0.00 0.00 0.00 175.10 175.27 3m3u s PHE 3 N 2.51 2.98 0.71 5.22 0.40 0.66 -4.99 117.98 125.47 3m3u s PHE 3 Ca 0.16 1.57 -0.11 0.00 -0.60 0.00 0.00 56.93 57.95 3m3u s PHE 3 Cb -0.17 -3.29 0.02 0.00 0.51 0.00 0.00 43.02 40.10 3m3u s PHE 3 CO 0.15 -1.23 1.07 0.20 0.70 0.00 0.00 175.22 176.11 3m3u s GLY 4 N -1.48 1.65 0.03 4.36 0.00 -1.26 -4.84 107.32 105.78 3m3u s GLY 4 Ca 0.63 -0.07 -0.14 0.00 0.00 0.00 0.00 44.72 45.14 3m3u s GLY 4 CO 0.31 0.28 1.21 -0.09 0.00 0.00 0.00 173.10 174.81 3m3u h ARG 5 N -0.76 -0.39 -0.36 2.90 2.43 -1.97 -1.14 114.38 115.10 3m3u h ARG 5 Ca -0.45 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 58.81 3m3u h ARG 5 Cb 1.23 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.81 3m3u h ARG 5 CO 0.59 -0.26 0.01 0.00 -1.51 0.00 0.00 179.97 178.80 3m3u h GLU 7 N 0.11 0.03 -0.47 0.00 4.81 -1.95 0.47 114.58 117.58 3m3u h GLU 7 Ca 0.17 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 3m3u h GLU 7 Cb 0.24 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3m3u h GLU 7 CO -0.28 0.02 0.20 1.25 -0.73 0.00 0.00 179.01 179.47 3m3u h LEU 8 N 0.03 0.64 -0.52 1.64 5.85 -0.76 -1.12 115.31 121.08 3m3u h LEU 8 Ca 0.26 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3m3u h LEU 8 Cb 0.40 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3m3u h LEU 8 CO -0.52 0.63 0.27 0.00 -0.34 0.00 0.00 178.44 178.48 3m3u h ALA 9 N 1.04 0.66 -0.45 1.25 0.00 -0.64 0.27 119.26 121.39 3m3u h ALA 9 Ca 0.16 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3m3u h ALA 9 Cb 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3m3u h ALA 9 CO -0.01 -0.07 0.28 0.00 0.00 0.00 0.00 179.25 179.45 3m3u h ALA 10 N 1.27 0.57 -0.62 0.00 0.00 -0.72 -0.13 119.26 119.64 3m3u h ALA 10 Ca 0.23 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3m3u h ALA 10 Cb 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3m3u h ALA 10 CO -0.15 0.05 0.06 0.00 0.00 0.00 0.00 179.25 179.20 3m3u h ALA 11 N 1.14 0.83 -0.64 0.00 0.00 -0.55 -1.19 119.26 118.84 3m3u h ALA 11 Ca 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3m3u h ALA 11 Cb -0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3m3u h ALA 11 CO -0.03 0.62 0.33 0.52 0.00 0.00 0.00 179.25 180.69 3m3u h MET 12 N 0.96 0.91 -0.44 0.00 2.86 -0.28 -2.10 114.93 116.83 3m3u h MET 12 Ca 0.18 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 3m3u h MET 12 Cb 0.49 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 3m3u h MET 12 CO 0.02 0.70 0.18 -0.22 1.06 0.00 0.00 176.91 178.65 3m3u h LYS 13 N 0.88 0.66 0.00 1.72 3.64 -0.87 -1.76 116.57 120.84 3m3u h LYS 13 Ca 0.22 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3m3u h LYS 13 Cb 0.08 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3m3u h LYS 13 CO -0.03 0.60 -0.07 -0.09 -2.27 0.00 0.00 179.45 177.60 3m3u h ARG 14 N 0.57 0.00 -0.59 1.90 2.43 -0.92 -1.87 114.38 115.90 3m3u h ARG 14 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3m3u h ARG 14 Cb 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3m3u h ARG 14 CO -0.01 0.07 0.00 0.72 -1.51 0.00 0.00 179.97 179.23 3m3u n HIS 15 N -3.84 0.79 -0.66 2.20 8.25 -0.80 -4.95 115.22 116.20 3m3u n HIS 15 Ca -0.02 -0.39 0.00 0.00 -0.26 0.00 0.00 57.72 57.04 3m3u n HIS 15 Cb 0.16 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.27 3m3u n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3m3u n GLY 16 N 1.42 0.90 0.09 -1.41 0.00 -0.70 -4.99 105.19 100.51 3m3u n GLY 16 Ca 0.20 -0.49 -0.03 0.00 0.00 0.00 0.00 46.02 45.70 3m3u n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3m3u h LEU 17 N 0.00 0.00 -9.31 0.99 3.38 -1.51 -3.39 115.31 105.48 3m3u h LEU 17 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3m3u h LEU 17 Cb 0.18 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.95 3m3u h LEU 17 CO 0.00 0.71 1.18 -0.67 0.09 0.00 0.00 178.44 179.75 3m3u n ASP 18 N -3.00 3.82 -0.36 -0.43 2.03 -1.26 -0.73 116.55 116.62 3m3u n ASP 18 Ca -0.10 0.92 -0.05 0.00 0.52 0.00 0.00 54.79 56.08 3m3u n ASP 18 Cb 0.89 -1.45 -0.02 0.00 -0.72 0.00 0.00 41.12 39.82 3m3u n ASP 18 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3m3u n ASN 19 N 7.24 -5.03 -4.65 1.67 3.02 -0.33 -4.87 115.26 112.30 3m3u n ASN 19 Ca 0.22 0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 54.46 3m3u n ASN 19 Cb 0.36 -2.95 -0.03 0.00 -0.61 0.00 0.00 39.78 36.55 3m3u n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3m3u s TYR 20 N -1.69 1.50 -1.55 3.10 5.04 0.09 -1.19 117.35 122.64 3m3u s TYR 20 Ca 0.00 -0.17 -0.03 0.00 -2.44 0.00 0.00 57.07 54.43 3m3u s TYR 20 Cb 0.00 -4.12 0.01 0.00 0.35 0.00 0.00 41.96 38.20 3m3u s TYR 20 CO 0.00 -4.89 0.30 0.54 -1.34 0.00 0.00 175.55 170.16 3m3u n ARG 21 N 7.53 -3.25 -0.87 4.97 5.12 -1.26 -2.12 116.66 126.77 3m3u n ARG 21 Ca 0.20 0.87 0.00 0.00 -1.93 0.00 0.00 57.85 56.98 3m3u n ARG 21 Cb 0.42 -5.61 0.00 0.00 -1.16 0.00 0.00 32.46 26.11 3m3u n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3m3u n GLY 22 N -1.21 0.78 3.53 -0.13 0.00 -0.33 -5.03 105.19 102.79 3m3u n GLY 22 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 3m3u n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m3u s TYR 23 N -3.01 3.23 0.73 1.61 2.02 -0.90 -4.90 117.35 116.12 3m3u s TYR 23 Ca 0.00 -0.21 -0.11 0.00 -0.37 0.00 0.00 57.07 56.37 3m3u s TYR 23 Cb 0.00 -2.53 0.03 0.00 -0.40 0.00 0.00 41.96 39.07 3m3u s TYR 23 CO 0.00 -0.40 1.09 -1.54 -1.57 0.00 0.00 175.55 173.13 3m3u s SER 24 N 1.72 4.85 0.31 2.29 1.04 -1.26 -1.19 113.70 121.46 3m3u s SER 24 Ca 0.07 1.80 0.08 0.00 0.48 0.00 0.00 55.95 58.39 3m3u s SER 24 Cb -0.17 -2.52 0.87 0.00 0.10 0.00 0.00 66.02 64.29 3m3u s SER 24 CO 0.11 -1.80 1.70 0.25 0.98 0.00 0.00 173.24 174.47 3m3u h LEU 25 N -0.79 0.50 -0.97 2.42 5.85 -1.89 -0.27 115.31 120.15 3m3u h LEU 25 Ca -0.44 0.16 0.23 0.00 0.84 0.00 0.00 57.88 58.67 3m3u h LEU 25 Cb 1.23 0.10 -0.12 0.00 0.37 0.00 0.00 40.66 42.23 3m3u h LEU 25 CO 0.53 0.01 0.53 1.23 -0.34 0.00 0.00 178.44 180.40 3m3u h GLY 26 N 0.46 1.78 0.99 3.75 0.00 -1.91 -2.09 103.07 106.04 3m3u h GLY 26 Ca 0.63 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 3m3u h GLY 26 CO -0.53 -0.24 0.34 3.43 0.00 0.00 0.00 176.54 179.54 3m3u h ASN 27 N 0.53 0.70 -0.11 0.19 2.35 -1.27 -1.46 115.58 116.51 3m3u h ASN 27 Ca 0.61 -0.07 -0.22 0.00 -0.55 0.00 0.00 56.30 56.07 3m3u h ASN 27 Cb 1.15 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 39.36 3m3u h ASN 27 CO -0.49 0.57 -0.79 -0.50 -1.65 0.00 0.00 177.43 174.58 3m3u h TRP 28 N 0.78 1.03 -0.45 1.19 4.06 -1.50 -1.08 115.95 119.98 3m3u h TRP 28 Ca 0.21 -0.46 -0.07 0.00 2.06 0.00 0.00 58.89 60.63 3m3u h TRP 28 Cb 0.00 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 27.99 3m3u h TRP 28 CO -0.02 1.29 0.02 0.28 -3.56 0.00 0.00 178.44 176.45 3m3u h VAL 29 N 0.52 1.26 -0.44 1.49 2.07 -1.41 -0.97 116.25 118.78 3m3u h VAL 29 Ca -0.05 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.47 3m3u h VAL 29 Cb 1.41 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 3m3u h VAL 29 CO 0.16 0.35 0.28 0.00 0.02 0.00 0.00 177.57 178.38 3m3u h ALA 31 N 1.18 0.83 -0.36 0.00 0.00 -1.06 -1.98 119.26 117.86 3m3u h ALA 31 Ca 0.17 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3m3u h ALA 31 Cb -0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3m3u h ALA 31 CO -0.06 0.37 0.14 0.00 0.00 0.00 0.00 179.25 179.71 3m3u h ALA 32 N 1.16 0.47 -0.04 0.00 0.00 -1.01 0.19 119.26 120.02 3m3u h ALA 32 Ca 0.23 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3m3u h ALA 32 Cb 0.08 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3m3u h ALA 32 CO -0.03 0.08 -0.42 -0.22 0.00 0.00 0.00 179.25 178.66 3m3u h LYS 33 N 0.44 -0.53 0.00 0.00 1.63 -0.53 -1.52 116.57 116.07 3m3u h LYS 33 Ca 0.12 0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 3m3u h LYS 33 Cb 0.19 0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.94 3m3u h LYS 33 CO -0.01 -0.35 -0.06 0.74 -3.45 0.00 0.00 179.45 176.32 3m3u h PHE 34 N -0.55 0.00 0.18 1.91 0.04 -1.24 0.11 116.94 117.40 3m3u h PHE 34 Ca 0.06 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.52 3m3u h PHE 34 Cb 0.64 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.81 3m3u h PHE 34 CO -0.44 0.06 -1.46 0.93 -0.60 0.00 0.00 178.31 176.80 3m3u h GLU 35 N 0.00 0.39 0.00 1.51 4.39 -0.23 -3.42 114.58 117.21 3m3u h GLU 35 Ca -0.00 -0.66 0.00 0.00 0.34 0.00 0.00 59.36 59.04 3m3u h GLU 35 Cb 0.86 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3m3u h GLU 35 CO 0.01 1.32 0.00 -1.13 -1.16 0.00 0.00 179.01 178.04 3m3u n SER 36 N -3.79 0.19 -3.10 1.42 3.41 -0.61 -4.84 113.62 106.30 3m3u n SER 36 Ca -0.21 -0.65 -0.22 0.00 -0.26 0.00 0.00 58.87 57.53 3m3u n SER 36 Cb 1.00 0.14 0.02 0.00 -0.26 0.00 0.00 64.21 65.12 3m3u n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3m3u n ASN 37 N -0.14 -5.48 -0.82 4.04 5.15 0.39 -2.56 115.26 115.84 3m3u n ASN 37 Ca 0.00 -0.31 -0.10 0.00 -0.60 0.00 0.00 54.58 53.57 3m3u n ASN 37 Cb 0.10 -4.45 -0.04 0.00 -0.53 0.00 0.00 39.78 34.86 3m3u n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3m3u n PHE 38 N -4.35 -0.03 -3.83 1.20 3.72 -1.22 -4.82 117.46 108.14 3m3u n PHE 38 Ca -0.09 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.95 3m3u n PHE 38 Cb 0.60 -2.02 -0.13 0.00 -0.94 0.00 0.00 39.48 36.99 3m3u n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3m3u s ASN 39 N -2.87 4.74 0.33 4.37 2.47 -1.06 -0.25 114.94 122.67 3m3u s ASN 39 Ca 0.00 -0.31 0.26 0.00 0.42 0.00 0.00 52.86 53.23 3m3u s ASN 39 Cb 0.00 -1.83 1.07 0.00 -1.45 0.00 0.00 41.25 39.03 3m3u s ASN 39 CO 0.00 -0.03 1.78 0.71 -3.72 0.00 0.00 177.10 175.84 3m3u h THR 40 N 5.63 0.00 -0.39 -5.21 1.35 -1.65 -2.98 112.91 109.66 3m3u h THR 40 Ca -0.40 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 3m3u h THR 40 Cb 1.17 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 3m3u h THR 40 CO 0.59 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.86 3m3u n GLN 41 N -2.45 2.49 -1.95 4.72 6.02 -1.26 -4.09 117.38 120.86 3m3u n GLN 41 Ca 0.02 -2.25 -0.42 0.00 -0.01 0.00 0.00 57.00 54.34 3m3u n GLN 41 Cb 0.26 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 29.98 3m3u n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3m3u s ALA 42 N -1.49 3.74 0.04 -1.58 0.00 -1.13 -4.81 121.76 116.54 3m3u s ALA 42 Ca 0.39 1.37 0.04 0.00 0.00 0.00 0.00 51.96 53.76 3m3u s ALA 42 Cb 0.23 -3.61 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 3m3u s ALA 42 CO 0.32 -0.78 -0.12 0.95 0.00 0.00 0.00 175.76 176.12 3m3u s THR 43 N 0.83 0.96 -0.10 0.00 -4.23 -1.26 0.35 115.64 112.20 3m3u s THR 43 Ca 0.67 -0.99 -0.05 0.00 -1.18 0.00 0.00 61.69 60.14 3m3u s THR 43 Cb -0.43 -0.90 0.05 0.00 1.34 0.00 0.00 72.50 72.55 3m3u s THR 43 CO 0.35 -0.08 0.22 0.20 -0.54 0.00 0.00 174.62 174.76 3m3u s ASN 44 N -1.22 -0.13 -0.02 3.99 -0.87 -0.61 -4.97 114.94 111.12 3m3u s ASN 44 Ca -0.01 0.47 -0.19 0.00 -1.57 0.00 0.00 52.86 51.55 3m3u s ASN 44 Cb -0.08 0.37 -0.05 0.00 -0.02 0.00 0.00 41.25 41.47 3m3u s ASN 44 CO 0.01 -0.17 0.56 -0.60 -2.57 0.00 0.00 177.10 174.33 3m3u s ARG 45 N 1.39 4.27 0.27 -0.60 6.06 -1.26 -0.40 118.95 128.67 3m3u s ARG 45 Ca -0.08 0.66 0.04 0.00 -2.50 0.00 0.00 55.73 53.85 3m3u s ARG 45 Cb -0.11 -3.34 -0.03 0.00 0.06 0.00 0.00 34.95 31.53 3m3u s ARG 45 CO -0.08 0.38 0.41 -0.80 -2.50 0.00 0.00 175.30 172.71 3m3u s ASN 46 N -0.20 6.28 0.44 -2.12 -0.87 0.60 -4.98 114.94 114.09 3m3u s ASN 46 Ca 0.29 0.11 0.23 0.00 -1.57 0.00 0.00 52.86 51.93 3m3u s ASN 46 Cb -0.18 -1.83 1.01 0.00 -0.02 0.00 0.00 41.25 40.23 3m3u s ASN 46 CO 0.16 -0.15 1.88 0.71 -2.57 0.00 0.00 177.10 177.13 3m3u h THR 47 N 1.07 0.68 0.00 1.60 1.35 -1.99 -0.24 112.91 115.38 3m3u h THR 47 Ca -0.51 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.30 3m3u h THR 47 Cb 1.23 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 3m3u h THR 47 CO 0.60 0.24 0.00 -0.90 -0.25 0.00 0.00 175.52 175.21 3m3u n ASP 48 N -3.54 0.00 0.00 5.36 5.68 -1.26 -4.85 116.55 117.94 3m3u n ASP 48 Ca -0.01 -0.58 0.00 0.00 -0.50 0.00 0.00 54.79 53.71 3m3u n ASP 48 Cb 0.39 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 3m3u n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3m3u n GLY 49 N -0.08 2.29 3.86 6.12 0.00 -0.10 -5.00 105.19 112.27 3m3u n GLY 49 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3m3u n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m3u s SER 50 N -2.65 4.36 0.02 1.61 1.04 -1.26 -4.74 113.70 112.08 3m3u s SER 50 Ca 0.00 0.93 0.02 0.00 0.48 0.00 0.00 55.95 57.38 3m3u s SER 50 Cb 0.00 -1.51 -0.01 0.00 0.10 0.00 0.00 66.02 64.60 3m3u s SER 50 CO 0.00 -2.01 -0.07 -0.89 0.98 0.00 0.00 173.24 171.25 3m3u s THR 51 N -3.43 0.53 -0.13 2.02 2.01 -1.26 -0.29 115.64 115.09 3m3u s THR 51 Ca 0.62 -0.61 -0.09 0.00 0.31 0.00 0.00 61.69 61.92 3m3u s THR 51 Cb -0.12 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 3m3u s THR 51 CO 0.51 -0.07 0.18 -1.81 -0.69 0.00 0.00 174.62 172.73 3m3u s ASP 52 N -0.75 6.39 -0.07 3.53 1.01 0.46 -0.52 116.67 126.72 3m3u s ASP 52 Ca -0.02 0.47 0.02 0.00 0.71 0.00 0.00 52.55 53.73 3m3u s ASP 52 Cb -0.06 -2.10 0.01 0.00 1.01 0.00 0.00 42.92 41.78 3m3u s ASP 52 CO 0.00 0.32 -0.13 -0.31 0.21 0.00 0.00 175.17 175.26 3m3u s TYR 53 N -0.59 1.52 0.00 4.23 1.51 -0.22 -1.57 117.35 122.24 3m3u s TYR 53 Ca 0.14 -0.56 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 3m3u s TYR 53 Cb -0.12 -1.10 0.00 0.00 -0.11 0.00 0.00 41.96 40.62 3m3u s TYR 53 CO 0.04 -0.28 0.00 0.41 -1.11 0.00 0.00 175.55 174.60 3m3u n GLY 54 N 3.77 -1.91 0.24 0.71 0.00 0.16 -1.76 105.19 106.40 3m3u n GLY 54 Ca -0.23 -1.64 0.09 0.00 0.00 0.00 0.00 46.02 44.24 3m3u n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3m3u h ILE 55 N 0.00 0.88 -0.26 -0.61 2.10 -1.72 -1.29 117.51 116.61 3m3u h ILE 55 Ca 0.00 -0.57 0.00 0.00 1.08 0.00 0.00 64.86 65.37 3m3u h ILE 55 Cb 0.00 1.33 0.00 0.00 -1.09 0.00 0.00 36.82 37.06 3m3u h ILE 55 CO 0.00 0.15 0.00 0.18 -1.08 0.00 0.00 178.15 177.40 3m3u n LEU 56 N -4.02 2.68 -3.78 2.19 4.77 -1.26 -4.00 117.00 113.56 3m3u n LEU 56 Ca -0.02 -1.95 -0.34 0.00 -0.03 0.00 0.00 56.01 53.67 3m3u n LEU 56 Cb 0.24 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3m3u n LEU 56 CO 0.33 0.66 -0.11 0.00 -1.33 0.00 0.00 177.39 176.95 3m3u n GLN 57 N 0.31 -1.27 -3.03 3.23 1.13 -0.49 -4.92 117.38 112.34 3m3u n GLN 57 Ca 0.09 0.38 -0.39 0.00 -1.94 0.00 0.00 57.00 55.14 3m3u n GLN 57 Cb 0.38 -3.88 -0.06 0.00 0.11 0.00 0.00 30.24 26.79 3m3u n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3m3u s ILE 58 N -3.53 4.52 -0.08 5.09 1.01 -0.72 -4.41 121.20 123.07 3m3u s ILE 58 Ca 0.43 1.60 -0.08 0.00 0.00 0.00 0.00 60.65 62.59 3m3u s ILE 58 Cb -0.17 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 3m3u s ILE 58 CO 0.88 0.49 0.20 0.21 0.00 0.00 0.00 174.94 176.73 3m3u s ASN 59 N -0.88 6.47 0.00 3.58 3.84 -1.26 -1.05 114.94 125.64 3m3u s ASN 59 Ca 0.35 0.56 0.24 0.00 0.21 0.00 0.00 52.86 54.23 3m3u s ASN 59 Cb -0.22 -2.10 1.07 0.00 -0.55 0.00 0.00 41.25 39.45 3m3u s ASN 59 CO 0.24 0.38 1.78 -1.54 -2.79 0.00 0.00 177.10 175.17 3m3u n SER 60 N 1.85 0.00 -0.09 -4.21 3.41 0.32 -2.04 113.62 112.87 3m3u n SER 60 Ca -0.18 0.38 -0.13 0.00 -0.26 0.00 0.00 58.87 58.69 3m3u n SER 60 Cb 0.54 -0.46 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 3m3u n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3m3u h ARG 61 N 0.00 0.60 0.00 4.33 2.43 -1.85 -3.39 114.38 116.50 3m3u h ARG 61 Ca 0.00 -0.30 -0.16 0.00 -0.81 0.00 0.00 59.98 58.71 3m3u h ARG 61 Cb 0.38 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 3m3u h ARG 61 CO 0.00 0.88 -1.65 0.91 -1.51 0.00 0.00 179.97 178.60 3m3u n TRP 62 N -4.38 0.00 -0.02 2.20 8.01 -1.24 -0.75 117.44 121.27 3m3u n TRP 62 Ca -0.04 0.00 0.04 0.00 -1.31 0.00 0.00 57.50 56.19 3m3u n TRP 62 Cb 0.41 -0.46 -0.11 0.00 -2.01 0.00 0.00 31.31 29.15 3m3u n TRP 62 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.69 177.59 3m3u n TRP 63 N -2.31 0.00 -3.77 -5.99 7.02 -0.86 -0.61 117.44 110.91 3m3u n TRP 63 Ca -0.14 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.23 3m3u n TRP 63 Cb 0.76 -0.38 -0.07 0.00 -2.42 0.00 0.00 31.31 29.20 3m3u n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3m3u s ASN 65 N -2.30 6.31 0.00 0.00 2.47 -0.39 -4.66 114.94 116.36 3m3u s ASN 65 Ca -0.02 0.36 0.02 0.00 0.42 0.00 0.00 52.86 53.64 3m3u s ASN 65 Cb 0.01 -2.22 0.03 0.00 -1.45 0.00 0.00 41.25 37.61 3m3u s ASN 65 CO -0.06 -0.17 0.71 -0.90 -3.72 0.00 0.00 177.10 172.96 3m3u n ASP 66 N 5.18 1.47 0.00 -4.21 5.68 -1.26 -0.31 116.55 123.09 3m3u n ASP 66 Ca -0.08 -1.36 0.00 0.00 -0.50 0.00 0.00 54.79 52.85 3m3u n ASP 66 Cb 0.51 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 3m3u n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3m3u n GLY 67 N -0.02 0.21 0.60 6.12 0.00 -1.26 -4.75 105.19 106.09 3m3u n GLY 67 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 3m3u n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3m3u n ARG 68 N -0.73 0.46 -3.95 1.61 1.85 -1.26 -4.98 116.66 109.66 3m3u n ARG 68 Ca 0.00 -1.79 -0.31 0.00 -1.00 0.00 0.00 57.85 54.74 3m3u n ARG 68 Cb 0.26 -0.75 -0.14 0.00 -1.05 0.00 0.00 32.46 30.78 3m3u n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 3m3u s THR 69 N -1.01 2.61 0.39 8.89 2.01 -1.26 -4.87 115.64 122.40 3m3u s THR 69 Ca 0.18 -2.84 -0.28 0.00 0.31 0.00 0.00 61.69 59.07 3m3u s THR 69 Cb 0.18 -2.84 -0.10 0.00 0.01 0.00 0.00 72.50 69.75 3m3u s THR 69 CO -0.03 -0.72 1.47 -2.84 -0.69 0.00 0.00 174.62 171.80 3m3u s PRO 70 N 0.28 4.03 -0.99 4.92 0.02 -1.26 -3.00 135.00 139.00 3m3u s PRO 70 Ca 0.14 2.53 -0.01 0.00 0.02 0.00 0.00 61.00 63.67 3m3u s PRO 70 Cb -0.23 -2.91 0.00 0.00 0.02 0.00 0.00 34.50 31.39 3m3u s PRO 70 CO -0.04 -0.58 0.18 0.41 -0.33 0.00 0.00 177.00 176.65 3m3u n GLY 71 N 0.49 -0.08 3.93 0.52 0.00 -1.26 -5.01 105.19 103.79 3m3u n GLY 71 Ca 0.02 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 3m3u n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m3u s SER 72 N -2.64 6.36 0.26 1.61 1.04 -1.16 -5.02 113.70 114.15 3m3u s SER 72 Ca 0.09 0.24 0.06 0.00 0.48 0.00 0.00 55.95 56.82 3m3u s SER 72 Cb -0.04 -1.94 -0.03 0.00 0.10 0.00 0.00 66.02 64.11 3m3u s SER 72 CO 0.11 0.08 0.27 -0.13 0.98 0.00 0.00 173.24 174.56 3m3u s ARG 73 N -2.99 3.06 -0.59 4.02 0.52 0.07 -5.00 118.95 118.04 3m3u s ARG 73 Ca 0.35 -1.00 0.06 0.00 -0.52 0.00 0.00 55.73 54.63 3m3u s ARG 73 Cb -0.12 -2.66 0.25 0.00 0.52 0.00 0.00 34.95 32.94 3m3u s ARG 73 CO 0.28 0.35 0.69 -1.71 0.02 0.00 0.00 175.30 174.93 3m3u n ASN 74 N -1.30 2.96 0.27 0.23 5.15 -1.25 -3.71 115.26 117.62 3m3u n ASN 74 Ca -0.07 -3.27 0.13 0.00 -0.60 0.00 0.00 54.58 50.77 3m3u n ASN 74 Cb 0.58 -0.67 0.76 0.00 -0.53 0.00 0.00 39.78 39.93 3m3u n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3m3u h LEU 75 N 4.18 0.00 -0.16 1.20 3.38 -0.91 0.48 115.31 123.48 3m3u h LEU 75 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3m3u h LEU 75 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3m3u h LEU 75 CO 0.75 0.10 -0.83 0.00 0.09 0.00 0.00 178.44 178.55 3m3u n ASN 77 N -1.26 -3.16 -3.94 0.00 2.85 0.16 -5.00 115.26 104.91 3m3u n ASN 77 Ca 0.05 -0.47 -0.09 0.00 -0.11 0.00 0.00 54.58 53.96 3m3u n ASN 77 Cb 0.35 -4.17 -0.10 0.00 1.24 0.00 0.00 39.78 37.11 3m3u n ASN 77 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 3m3u s ILE 78 N -3.28 0.13 0.41 -1.44 -4.36 -1.26 -5.05 121.20 106.35 3m3u s ILE 78 Ca 0.15 -1.08 -0.25 0.00 -0.26 0.00 0.00 60.65 59.22 3m3u s ILE 78 Cb -0.07 -0.80 -0.08 0.00 1.25 0.00 0.00 42.46 42.76 3m3u s ILE 78 CO 0.58 -0.59 1.20 -2.84 0.24 0.00 0.00 174.94 173.53 3m3u s PRO 79 N -2.42 3.97 0.38 0.37 0.02 -1.26 -1.27 135.00 134.80 3m3u s PRO 79 Ca -0.07 1.90 0.11 0.00 0.02 0.00 0.00 61.00 62.96 3m3u s PRO 79 Cb -0.02 -2.64 0.89 0.00 0.02 0.00 0.00 34.50 32.75 3m3u s PRO 79 CO -0.04 -0.41 1.89 0.00 -0.33 0.00 0.00 177.00 178.11 3m3u h SER 81 N 0.60 0.36 -0.22 0.00 4.64 -1.92 0.20 113.55 117.22 3m3u h SER 81 Ca 0.42 -0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.80 3m3u h SER 81 Cb 0.75 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 3m3u h SER 81 CO -0.17 0.24 0.31 0.00 -0.87 0.00 0.00 176.83 176.34 3m3u h ALA 82 N 1.75 1.79 0.00 5.18 0.00 -1.75 -1.00 119.26 125.23 3m3u h ALA 82 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3m3u h ALA 82 Cb 0.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3m3u h ALA 82 CO -0.05 -0.43 0.00 1.28 0.00 0.00 0.00 179.25 180.06 3m3u n LEU 83 N -3.54 0.00 -0.71 0.00 4.77 0.71 -3.42 117.00 114.81 3m3u n LEU 83 Ca 0.03 0.27 0.08 0.00 -0.03 0.00 0.00 56.01 56.35 3m3u n LEU 83 Cb 0.44 -0.27 0.11 0.00 -2.33 0.00 0.00 43.42 41.37 3m3u n LEU 83 CO 0.24 -0.06 0.55 0.18 -1.33 0.00 0.00 177.39 176.97 3m3u n LEU 84 N -1.27 2.61 -4.72 2.23 4.77 -0.38 -4.27 117.00 115.97 3m3u n LEU 84 Ca 0.11 -1.30 -0.36 0.00 -0.03 0.00 0.00 56.01 54.43 3m3u n LEU 84 Cb 0.18 -0.10 0.09 0.00 -2.33 0.00 0.00 43.42 41.26 3m3u n LEU 84 CO 0.18 0.54 0.85 -0.55 -1.33 0.00 0.00 177.39 177.08 3m3u s SER 85 N -1.21 4.30 0.32 -1.43 0.15 -1.22 -4.27 113.70 110.34 3m3u s SER 85 Ca 0.23 2.51 0.08 0.00 0.70 0.00 0.00 55.95 59.46 3m3u s SER 85 Cb 0.14 -2.61 0.80 0.00 -1.71 0.00 0.00 66.02 62.64 3m3u s SER 85 CO 0.20 -2.20 1.78 0.28 1.20 0.00 0.00 173.24 174.50 3m3u h SER 86 N 0.06 0.73 -3.46 5.45 0.02 -1.93 -3.41 113.55 111.02 3m3u h SER 86 Ca -0.49 0.10 -0.61 0.00 -0.84 0.00 0.00 61.79 59.94 3m3u h SER 86 Cb 1.32 -0.03 -0.11 0.00 0.14 0.00 0.00 62.40 63.71 3m3u h SER 86 CO 0.51 0.24 0.23 -0.62 -1.14 0.00 0.00 176.83 176.05 3m3u s ASP 87 N -5.40 6.60 0.00 3.07 3.68 -1.26 -4.94 116.67 118.41 3m3u s ASP 87 Ca -0.11 0.67 0.31 0.00 2.13 0.00 0.00 52.55 55.55 3m3u s ASP 87 Cb 0.25 -2.36 1.63 0.00 -1.45 0.00 0.00 42.92 41.00 3m3u s ASP 87 CO 0.80 -0.45 2.08 2.30 0.13 0.00 0.00 175.17 180.03 3m3u n ILE 88 N 5.30 0.00 -0.33 4.11 -5.35 -1.26 -4.28 119.36 117.55 3m3u n ILE 88 Ca 0.01 -0.04 0.01 0.00 -0.27 0.00 0.00 62.75 62.46 3m3u n ILE 88 Cb 0.49 -0.32 0.07 0.00 -1.74 0.00 0.00 39.64 38.14 3m3u n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3m3u h THR 89 N 0.36 0.07 -0.20 7.28 2.02 -1.95 -0.85 112.91 119.64 3m3u h THR 89 Ca 0.00 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 3m3u h THR 89 Cb 0.17 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 3m3u h THR 89 CO 0.00 0.00 -0.42 0.00 0.37 0.00 0.00 175.52 175.47 3m3u h ALA 90 N 1.57 0.90 -0.64 6.16 0.00 -1.87 -0.05 119.26 125.33 3m3u h ALA 90 Ca 0.37 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3m3u h ALA 90 Cb 0.62 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3m3u h ALA 90 CO -0.92 0.64 0.14 0.77 0.00 0.00 0.00 179.25 179.88 3m3u h SER 91 N 0.39 0.99 -0.19 0.00 0.02 -1.50 -1.31 113.55 111.96 3m3u h SER 91 Ca 0.03 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.68 3m3u h SER 91 Cb 0.91 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 3m3u h SER 91 CO 0.08 0.98 -0.10 0.58 -1.14 0.00 0.00 176.83 177.23 3m3u h VAL 92 N 0.96 1.31 -0.67 2.27 2.07 -0.96 0.42 116.25 121.65 3m3u h VAL 92 Ca 0.20 -1.17 0.04 0.00 0.82 0.00 0.00 66.70 66.59 3m3u h VAL 92 Cb 0.39 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 3m3u h VAL 92 CO 0.01 0.35 0.40 0.78 0.02 0.00 0.00 177.57 179.13 3m3u h ASN 93 N 0.09 0.64 -0.35 0.57 2.35 -0.95 -1.55 115.58 116.39 3m3u h ASN 93 Ca 0.04 0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.66 3m3u h ASN 93 Cb 0.59 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 3m3u h ASN 93 CO 0.03 0.44 -0.33 0.00 -1.65 0.00 0.00 177.43 175.92 3m3u h ALA 95 N 0.75 1.41 -0.40 0.00 0.00 -0.63 -0.05 119.26 120.34 3m3u h ALA 95 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3m3u h ALA 95 Cb 0.91 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3m3u h ALA 95 CO 0.08 0.43 0.22 0.87 0.00 0.00 0.00 179.25 180.85 3m3u h LYS 96 N 1.17 0.54 0.15 0.00 1.57 -1.29 0.33 116.57 119.03 3m3u h LYS 96 Ca 0.44 -0.05 -0.28 0.00 -1.87 0.00 0.00 60.65 58.89 3m3u h LYS 96 Cb 0.19 -0.11 0.03 0.00 0.08 0.00 0.00 32.23 32.42 3m3u h LYS 96 CO -0.18 0.40 -1.19 -0.22 -0.57 0.00 0.00 179.45 177.69 3m3u h LYS 97 N 0.55 0.54 -0.46 3.15 3.64 -1.26 -2.84 116.57 119.89 3m3u h LYS 97 Ca 0.14 -0.78 0.01 0.00 -1.27 0.00 0.00 60.65 58.75 3m3u h LYS 97 Cb 0.01 0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 3m3u h LYS 97 CO -0.02 1.36 0.29 0.82 -2.27 0.00 0.00 179.45 179.62 3m3u h ILE 98 N 0.12 1.08 0.00 2.00 2.04 -0.66 -2.89 117.51 119.18 3m3u h ILE 98 Ca -0.19 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 3m3u h ILE 98 Cb 1.89 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 38.41 3m3u h ILE 98 CO 0.23 0.11 -0.15 1.62 0.00 0.00 0.00 178.15 179.96 3m3u h VAL 99 N 0.58 0.37 0.00 1.67 3.04 -0.41 -2.64 116.25 118.87 3m3u h VAL 99 Ca 0.18 -0.92 0.00 0.00 -1.01 0.00 0.00 66.70 64.95 3m3u h VAL 99 Cb -0.02 1.69 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 3m3u h VAL 99 CO -0.06 0.14 -0.02 -1.20 -1.01 0.00 0.00 177.57 175.42 3m3u n SER 100 N -3.30 0.84 0.00 3.17 7.64 -1.07 -3.73 113.62 117.18 3m3u n SER 100 Ca 0.00 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.45 3m3u n SER 100 Cb 0.39 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 3m3u n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3m3u n ASP 101 N -2.29 0.00 0.00 6.43 2.03 -1.00 -4.82 116.55 116.90 3m3u n ASP 101 Ca 0.05 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.50 3m3u n ASP 101 Cb 0.43 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 3m3u n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3m3u n GLY 102 N -1.13 2.62 0.07 0.27 0.00 -1.26 -4.90 105.19 100.86 3m3u n GLY 102 Ca 0.00 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.41 3m3u n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3m3u n ASN 103 N 0.30 0.45 0.00 1.61 4.13 -1.26 -5.05 115.26 115.44 3m3u n ASN 103 Ca 0.00 0.57 0.00 0.00 1.68 0.00 0.00 54.58 56.83 3m3u n ASN 103 Cb 0.00 -0.68 0.00 0.00 -1.54 0.00 0.00 39.78 37.56 3m3u n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3m3u n GLY 104 N 0.73 2.13 0.00 7.41 0.00 -1.24 -2.93 105.19 111.28 3m3u n GLY 104 Ca 0.04 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.74 3m3u n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3m3u n MET 105 N 8.25 0.33 0.28 1.61 2.81 -1.26 -2.94 117.12 126.21 3m3u n MET 105 Ca 0.00 0.05 0.19 0.00 -1.81 0.00 0.00 57.70 56.13 3m3u n MET 105 Cb 0.00 -1.50 1.02 0.00 -0.71 0.00 0.00 33.22 32.03 3m3u n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3m3u h ASN 106 N 0.00 0.00 -0.34 7.83 2.35 -1.95 -1.54 115.58 121.93 3m3u h ASN 106 Ca 0.00 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.85 3m3u h ASN 106 Cb 0.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 3m3u h ASN 106 CO 0.00 0.00 0.32 0.00 -1.65 0.00 0.00 177.43 176.10 3m3u h ALA 107 N 2.00 2.09 -2.69 -0.83 0.00 -1.73 -3.39 119.26 114.71 3m3u h ALA 107 Ca 0.00 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 54.22 3m3u h ALA 107 Cb 0.01 0.03 -0.19 0.00 0.00 0.00 0.00 17.79 17.63 3m3u h ALA 107 CO 0.00 -0.49 -0.46 -1.58 0.00 0.00 0.00 179.25 176.72 3m3u s TRP 108 N -4.74 3.23 0.39 0.00 0.51 -0.58 -4.95 118.94 112.80 3m3u s TRP 108 Ca -0.05 -0.22 0.08 0.00 -2.12 0.00 0.00 56.10 53.80 3m3u s TRP 108 Cb 0.16 -2.50 0.80 0.00 -0.81 0.00 0.00 33.47 31.12 3m3u s TRP 108 CO 0.60 -0.38 1.96 0.28 -0.51 0.00 0.00 176.95 178.90 3m3u h VAL 109 N 5.50 1.15 0.00 4.03 2.07 -1.85 -2.16 116.25 124.99 3m3u h VAL 109 Ca -0.31 -0.57 -0.17 0.00 0.82 0.00 0.00 66.70 66.47 3m3u h VAL 109 Cb 1.15 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 3m3u h VAL 109 CO 0.64 0.19 -0.80 0.00 0.02 0.00 0.00 177.57 177.63 3m3u h ALA 110 N 1.66 0.61 -0.10 1.67 0.00 -1.92 -1.40 119.26 119.78 3m3u h ALA 110 Ca 0.08 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 3m3u h ALA 110 Cb 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3m3u h ALA 110 CO 0.00 1.00 0.00 2.35 0.00 0.00 0.00 179.25 182.61 3m3u h TRP 111 N 0.00 0.19 -0.73 0.00 7.01 -1.73 0.39 115.95 121.07 3m3u h TRP 111 Ca -0.01 -0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.93 3m3u h TRP 111 Cb 1.48 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 28.45 3m3u h TRP 111 CO 0.00 0.42 0.35 -0.09 -2.79 0.00 0.00 178.44 176.33 3m3u h ARG 112 N -0.09 1.06 0.00 2.65 2.43 -1.33 0.51 114.38 119.61 3m3u h ARG 112 Ca 0.03 -0.16 -0.08 0.00 -0.81 0.00 0.00 59.98 58.96 3m3u h ARG 112 Cb 0.34 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3m3u h ARG 112 CO 0.00 0.83 -0.83 -0.91 -1.51 0.00 0.00 179.97 177.55 3m3u h ASN 113 N 1.03 0.00 0.00 -3.80 2.35 -1.20 -3.38 115.58 110.58 3m3u h ASN 113 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3m3u h ASN 113 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3m3u h ASN 113 CO -0.03 0.33 -0.06 0.54 -1.65 0.00 0.00 177.43 176.55 3m3u n ARG 114 N -2.97 3.45 0.00 0.81 1.74 0.12 -4.88 116.66 114.93 3m3u n ARG 114 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3m3u n ARG 114 Cb 0.69 -0.32 0.00 0.00 -1.02 0.00 0.00 32.46 31.82 3m3u n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3m3u n LYS 116 N -2.66 1.44 -1.12 0.00 4.81 0.17 -1.17 118.16 119.63 3m3u n LYS 116 Ca 0.00 0.52 -0.04 0.00 -0.87 0.00 0.00 58.31 57.92 3m3u n LYS 116 Cb 0.46 -2.22 -0.02 0.00 0.02 0.00 0.00 35.03 33.28 3m3u n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3m3u n GLY 117 N 3.21 0.57 3.98 3.14 0.00 -1.26 -4.95 105.19 109.88 3m3u n GLY 117 Ca 0.20 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 3m3u n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3m3u s THR 118 N -1.75 2.43 -1.03 2.61 -4.23 -0.32 -5.02 115.64 108.34 3m3u s THR 118 Ca 0.00 -1.14 -0.23 0.00 -1.18 0.00 0.00 61.69 59.14 3m3u s THR 118 Cb 0.00 -2.57 0.05 0.00 1.34 0.00 0.00 72.50 71.31 3m3u s THR 118 CO 0.00 0.00 1.48 -0.62 -0.54 0.00 0.00 174.62 174.94 3m3u s ASP 119 N -4.41 6.46 0.40 3.99 2.15 -1.26 -4.82 116.67 119.18 3m3u s ASP 119 Ca 0.53 -1.46 0.27 0.00 0.43 0.00 0.00 52.55 52.32 3m3u s ASP 119 Cb -0.06 -2.57 0.87 0.00 -0.30 0.00 0.00 42.92 40.86 3m3u s ASP 119 CO 0.32 -1.55 1.78 -0.37 -0.17 0.00 0.00 175.17 175.19 3m3u h VAL 120 N 6.77 0.00 -0.46 1.11 -1.51 -1.92 -3.01 116.25 117.24 3m3u h VAL 120 Ca 0.21 -0.61 0.11 0.00 -1.23 0.00 0.00 66.70 65.18 3m3u h VAL 120 Cb 1.00 1.56 -0.02 0.00 -2.13 0.00 0.00 31.29 31.71 3m3u h VAL 120 CO 1.42 0.00 0.32 -0.61 -1.23 0.00 0.00 177.57 177.47 3m3u h GLN 121 N 0.00 0.10 0.00 5.19 5.75 -1.89 -2.18 115.11 122.08 3m3u h GLN 121 Ca 0.00 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 3m3u h GLN 121 Cb 0.68 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.21 3m3u h GLN 121 CO 0.00 0.07 -0.06 0.00 -2.65 0.00 0.00 178.83 176.18 3m3u h ALA 122 N 1.77 1.62 0.00 3.38 0.00 -1.93 0.95 119.26 125.05 3m3u h ALA 122 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3m3u h ALA 122 Cb 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3m3u h ALA 122 CO -0.02 0.08 0.00 0.91 0.00 0.00 0.00 179.25 180.22 3m3u n TRP 123 N -4.06 0.00 -1.88 0.00 7.02 -0.82 -2.73 117.44 114.96 3m3u n TRP 123 Ca -0.03 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.49 3m3u n TRP 123 Cb 0.15 -0.05 0.05 0.00 -2.42 0.00 0.00 31.31 29.04 3m3u n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 3m3u n ILE 124 N -1.05 0.54 -3.39 -0.99 -5.35 0.31 -4.86 119.36 104.58 3m3u n ILE 124 Ca 0.17 -0.89 -0.38 0.00 -0.27 0.00 0.00 62.75 61.38 3m3u n ILE 124 Cb 0.10 0.39 -0.07 0.00 -1.74 0.00 0.00 39.64 38.32 3m3u n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3m3u s ARG 125 N -0.81 4.19 0.00 6.28 0.52 -1.11 -4.01 118.95 124.01 3m3u s ARG 125 Ca 0.16 0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.59 3m3u s ARG 125 Cb 0.16 -3.52 0.00 0.00 0.52 0.00 0.00 34.95 32.11 3m3u s ARG 125 CO -0.03 -0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.69 3m3u n GLY 126 N 3.84 0.70 3.49 -3.53 0.00 -1.26 -5.06 105.19 103.36 3m3u n GLY 126 Ca -0.08 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 3m3u n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m3u s ARG 128 N 0.37 2.80 0.00 0.00 3.52 -1.26 -5.12 118.95 119.26 3m3u s ARG 128 Ca -0.04 0.30 0.01 0.00 -0.13 0.00 0.00 55.73 55.86 3m3u s ARG 128 Cb -0.14 -4.37 0.01 0.00 -1.56 0.00 0.00 34.95 28.88 3m3u s ARG 128 CO 0.03 -2.59 0.52 1.28 -0.81 0.00 0.00 175.30 173.74