#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sf7 s VAL 2 N 0.00 0.03 -0.02 3.15 1.01 -1.26 -4.58 120.40 118.72 1sf7 s VAL 2 Ca 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 1sf7 s VAL 2 Cb 0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.71 1sf7 s VAL 2 CO 0.00 -0.22 0.30 -0.36 0.00 0.00 0.00 175.10 174.82 1sf7 s PHE 3 N 2.09 3.64 0.73 5.22 0.40 -1.21 -5.08 117.98 123.76 1sf7 s PHE 3 Ca 0.02 0.73 -0.08 0.00 -0.60 0.00 0.00 56.93 57.00 1sf7 s PHE 3 Cb -0.16 -2.10 0.07 0.00 0.51 0.00 0.00 43.02 41.34 1sf7 s PHE 3 CO -0.08 0.65 1.05 0.20 0.70 0.00 0.00 175.22 177.74 1sf7 s GLY 4 N -1.31 1.67 0.04 4.36 0.00 -1.26 -4.86 107.32 105.96 1sf7 s GLY 4 Ca 0.23 -0.89 -0.22 0.00 0.00 0.00 0.00 44.72 43.84 1sf7 s GLY 4 CO 0.12 -0.46 1.33 -0.09 0.00 0.00 0.00 173.10 174.01 1sf7 h ARG 5 N -0.71 -0.72 0.00 2.90 2.43 -1.99 -2.31 114.38 113.97 1sf7 h ARG 5 Ca -0.45 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1sf7 h ARG 5 Cb 1.32 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.03 1sf7 h ARG 5 CO 0.61 -0.48 0.00 0.00 -1.51 0.00 0.00 179.97 178.58 1sf7 n GLU 7 N -1.26 1.76 -0.00 0.00 -0.58 -0.89 -4.37 120.64 115.30 1sf7 n GLU 7 Ca 0.05 -1.70 0.00 0.00 -0.42 0.00 0.00 57.16 55.09 1sf7 n GLU 7 Cb 0.08 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 1sf7 n GLU 7 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1sf7 n LEU 8 N 1.11 1.80 -0.02 -4.62 0.00 -1.08 -4.72 117.00 109.47 1sf7 n LEU 8 Ca 0.12 -1.80 0.01 0.00 0.00 0.00 0.00 56.01 54.34 1sf7 n LEU 8 Cb 0.49 -0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.86 1sf7 n LEU 8 CO 0.12 0.45 -0.64 0.00 0.00 0.00 0.00 177.39 177.32 1sf7 n ALA 9 N -0.45 2.08 0.68 1.96 0.00 -1.26 -4.55 120.51 118.97 1sf7 n ALA 9 Ca 0.00 -0.28 0.08 0.00 0.00 0.00 0.00 53.44 53.24 1sf7 n ALA 9 Cb 0.28 -0.09 0.38 0.00 0.00 0.00 0.00 19.45 20.02 1sf7 n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sf7 n ALA 10 N -1.95 1.83 0.33 0.00 0.00 -1.26 -2.54 120.51 116.92 1sf7 n ALA 10 Ca -0.05 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.46 1sf7 n ALA 10 Cb 0.41 -1.27 0.42 0.00 0.00 0.00 0.00 19.45 19.01 1sf7 n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sf7 h ALA 11 N 2.68 1.00 0.00 0.00 0.00 -1.90 -3.00 119.26 118.04 1sf7 h ALA 11 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1sf7 h ALA 11 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1sf7 h ALA 11 CO 0.00 0.00 -0.23 0.52 0.00 0.00 0.00 179.25 179.54 1sf7 h MET 12 N 0.00 0.00 -0.02 0.00 2.86 -1.81 -2.96 114.93 113.00 1sf7 h MET 12 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1sf7 h MET 12 Cb 0.71 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1sf7 h MET 12 CO 0.00 0.23 0.00 1.17 1.06 0.00 0.00 176.91 179.37 1sf7 n LYS 13 N -3.22 1.62 0.00 1.72 4.81 -1.13 -0.94 118.16 121.03 1sf7 n LYS 13 Ca 0.02 -0.91 0.07 0.00 -0.87 0.00 0.00 58.31 56.63 1sf7 n LYS 13 Cb 0.55 -1.48 -0.03 0.00 0.02 0.00 0.00 35.03 34.10 1sf7 n LYS 13 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1sf7 n ARG 14 N 0.10 1.85 -0.10 1.64 0.63 -1.12 -4.43 116.66 115.22 1sf7 n ARG 14 Ca 0.19 -0.56 0.07 0.00 -0.92 0.00 0.00 57.85 56.63 1sf7 n ARG 14 Cb 0.34 -1.24 0.12 0.00 0.45 0.00 0.00 32.46 32.13 1sf7 n ARG 14 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1sf7 n HIS 15 N -0.49 0.14 -1.17 -0.14 8.25 -1.16 -5.00 115.22 115.65 1sf7 n HIS 15 Ca 0.05 -0.82 -0.06 0.00 -0.26 0.00 0.00 57.72 56.63 1sf7 n HIS 15 Cb 0.30 -0.14 -0.02 0.00 1.12 0.00 0.00 29.99 31.24 1sf7 n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sf7 n GLY 16 N -0.97 0.83 0.06 -1.41 0.00 -1.21 -4.92 105.19 97.57 1sf7 n GLY 16 Ca 0.12 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.48 1sf7 n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sf7 n LEU 17 N -0.66 0.62 -4.63 0.99 4.77 -0.11 -4.35 117.00 113.63 1sf7 n LEU 17 Ca -0.06 0.31 -0.43 0.00 -0.03 0.00 0.00 56.01 55.81 1sf7 n LEU 17 Cb 0.19 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1sf7 n LEU 17 CO 0.09 -0.05 1.35 -0.62 -1.33 0.00 0.00 177.39 176.83 1sf7 s ASP 18 N -3.97 6.38 -1.26 -1.43 -1.08 -1.24 -2.75 116.67 111.32 1sf7 s ASP 18 Ca 0.09 1.53 -0.07 0.00 -0.52 0.00 0.00 52.55 53.59 1sf7 s ASP 18 Cb 0.14 -2.53 -0.01 0.00 -1.46 0.00 0.00 42.92 39.06 1sf7 s ASP 18 CO 0.66 -1.27 0.68 0.59 0.52 0.00 0.00 175.17 176.36 1sf7 n ASN 19 N 8.48 -2.61 -4.62 -0.34 5.03 -1.25 -4.85 115.26 115.10 1sf7 n ASN 19 Ca 0.19 -0.91 -0.34 0.00 0.87 0.00 0.00 54.58 54.38 1sf7 n ASN 19 Cb 0.46 -3.74 -0.10 0.00 -1.02 0.00 0.00 39.78 35.37 1sf7 n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1sf7 s TYR 20 N -3.65 3.11 -1.26 3.10 5.04 -1.01 -4.74 117.35 117.93 1sf7 s TYR 20 Ca 0.18 0.04 -0.14 0.00 -2.44 0.00 0.00 57.07 54.71 1sf7 s TYR 20 Cb -0.05 -1.85 0.00 0.00 0.35 0.00 0.00 41.96 40.41 1sf7 s TYR 20 CO 0.84 0.30 0.62 0.54 -1.34 0.00 0.00 175.55 176.51 1sf7 n ARG 21 N 2.62 -1.91 -0.23 4.97 5.12 -1.26 -2.15 116.66 123.82 1sf7 n ARG 21 Ca -0.18 0.38 0.00 0.00 -1.93 0.00 0.00 57.85 56.12 1sf7 n ARG 21 Cb 0.53 -4.08 0.00 0.00 -1.16 0.00 0.00 32.46 27.75 1sf7 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sf7 n GLY 22 N -1.87 2.35 3.58 -0.13 0.00 -1.26 -4.99 105.19 102.87 1sf7 n GLY 22 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1sf7 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sf7 s TYR 23 N -3.08 2.92 0.62 1.61 2.02 -0.91 -5.10 117.35 115.43 1sf7 s TYR 23 Ca 0.00 0.01 -0.10 0.00 -0.37 0.00 0.00 57.07 56.61 1sf7 s TYR 23 Cb 0.00 -1.70 -0.02 0.00 -0.40 0.00 0.00 41.96 39.84 1sf7 s TYR 23 CO 0.00 0.33 1.01 0.45 -1.57 0.00 0.00 175.55 175.76 1sf7 s SER 24 N -0.84 6.00 0.21 2.29 0.15 -1.26 -2.41 113.70 117.83 1sf7 s SER 24 Ca 0.13 1.24 -0.10 0.00 0.70 0.00 0.00 55.95 57.92 1sf7 s SER 24 Cb -0.11 -2.26 0.21 0.00 -1.71 0.00 0.00 66.02 62.15 1sf7 s SER 24 CO 0.02 -0.96 1.82 0.25 1.20 0.00 0.00 173.24 175.57 1sf7 h LEU 25 N -0.32 0.59 -0.90 3.45 5.85 -1.89 -2.86 115.31 119.23 1sf7 h LEU 25 Ca -0.45 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.18 1sf7 h LEU 25 Cb 1.21 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1sf7 h LEU 25 CO 0.62 0.39 -0.38 1.23 -0.34 0.00 0.00 178.44 179.97 1sf7 h GLY 26 N 0.72 0.37 1.20 3.75 0.00 -1.92 -2.95 103.07 104.24 1sf7 h GLY 26 Ca 0.28 -0.34 0.01 0.00 0.00 0.00 0.00 47.33 47.28 1sf7 h GLY 26 CO -0.15 0.31 0.39 3.43 0.00 0.00 0.00 176.54 180.52 1sf7 h ASN 27 N 0.29 0.00 0.00 0.19 2.35 -1.74 -2.86 115.58 113.81 1sf7 h ASN 27 Ca 0.03 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1sf7 h ASN 27 Cb 0.80 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.17 1sf7 h ASN 27 CO 0.06 0.00 -0.23 -0.50 -1.65 0.00 0.00 177.43 175.11 1sf7 h TRP 28 N 0.00 0.00 -0.26 1.19 4.06 -1.65 -3.40 115.95 115.89 1sf7 h TRP 28 Ca 0.01 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.04 1sf7 h TRP 28 Cb 0.80 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.95 1sf7 h TRP 28 CO 0.00 0.31 0.47 0.28 -3.56 0.00 0.00 178.44 175.93 1sf7 h VAL 29 N -1.00 0.19 0.53 1.49 2.07 -1.65 -2.76 116.25 115.12 1sf7 h VAL 29 Ca -0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1sf7 h VAL 29 Cb 0.41 0.59 0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1sf7 h VAL 29 CO -0.02 0.00 -0.25 0.00 0.02 0.00 0.00 177.57 177.32 1sf7 h ALA 31 N -1.47 2.08 -0.88 0.00 0.00 -1.74 -1.17 119.26 116.09 1sf7 h ALA 31 Ca -0.07 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1sf7 h ALA 31 Cb 0.54 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1sf7 h ALA 31 CO 0.12 -0.73 0.55 0.00 0.00 0.00 0.00 179.25 179.19 1sf7 h ALA 32 N 1.34 1.20 0.00 0.00 0.00 -1.67 0.71 119.26 120.84 1sf7 h ALA 32 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1sf7 h ALA 32 Cb 1.23 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1sf7 h ALA 32 CO -0.00 0.32 0.00 1.17 0.00 0.00 0.00 179.25 180.74 1sf7 n LYS 33 N -4.59 0.11 0.00 0.00 3.00 -0.44 -2.65 118.16 113.59 1sf7 n LYS 33 Ca 0.12 0.22 0.10 0.00 -0.00 0.00 0.00 58.31 58.76 1sf7 n LYS 33 Cb 0.16 -1.67 -0.04 0.00 0.00 0.00 0.00 35.03 33.48 1sf7 n LYS 33 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1sf7 n PHE 34 N -1.88 0.00 -0.06 5.64 3.72 0.21 -3.73 117.46 121.36 1sf7 n PHE 34 Ca 0.05 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.37 1sf7 n PHE 34 Cb 0.29 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.76 1sf7 n PHE 34 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1sf7 n GLU 35 N -0.48 1.18 0.00 -1.08 -0.58 0.12 -4.82 120.64 114.97 1sf7 n GLU 35 Ca 0.07 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1sf7 n GLU 35 Cb 0.41 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 1sf7 n GLU 35 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1sf7 n SER 36 N -2.68 0.00 -3.36 1.62 7.64 -1.18 -4.74 113.62 110.91 1sf7 n SER 36 Ca -0.21 -1.00 -0.19 0.00 1.01 0.00 0.00 58.87 58.48 1sf7 n SER 36 Cb 0.80 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 64.06 1sf7 n SER 36 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1sf7 n ASN 37 N 0.00 -5.79 -2.45 6.43 5.15 -1.18 -3.33 115.26 114.10 1sf7 n ASN 37 Ca 0.00 -0.76 -0.19 0.00 -0.60 0.00 0.00 54.58 53.03 1sf7 n ASN 37 Cb 0.31 -4.82 -0.01 0.00 -0.53 0.00 0.00 39.78 34.74 1sf7 n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1sf7 n PHE 38 N -3.53 -1.16 -4.33 1.20 3.72 -1.24 -5.00 117.46 107.13 1sf7 n PHE 38 Ca -0.10 0.03 -0.19 0.00 -0.05 0.00 0.00 57.45 57.13 1sf7 n PHE 38 Cb 0.62 -3.67 -0.15 0.00 -0.94 0.00 0.00 39.48 35.34 1sf7 n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1sf7 s ASN 39 N -2.08 1.07 0.09 4.37 2.47 -1.21 -3.35 114.94 116.31 1sf7 s ASN 39 Ca 0.02 -0.16 0.24 0.00 0.42 0.00 0.00 52.86 53.38 1sf7 s ASN 39 Cb -0.01 -0.25 0.39 0.00 -1.45 0.00 0.00 41.25 39.93 1sf7 s ASN 39 CO 0.02 0.06 1.34 0.35 -3.72 0.00 0.00 177.10 175.16 1sf7 n THR 40 N 3.22 0.27 0.57 -5.21 -2.24 -1.26 -3.62 114.28 106.01 1sf7 n THR 40 Ca -0.17 -0.21 0.08 0.00 -2.27 0.00 0.00 64.05 61.48 1sf7 n THR 40 Cb 0.55 -0.05 0.24 0.00 -2.10 0.00 0.00 70.33 68.96 1sf7 n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sf7 n GLN 41 N -1.97 2.09 -3.19 -0.78 6.02 -1.26 -3.53 117.38 114.75 1sf7 n GLN 41 Ca 0.04 -1.68 -0.44 0.00 -0.01 0.00 0.00 57.00 54.91 1sf7 n GLN 41 Cb 0.42 -1.39 -0.06 0.00 1.02 0.00 0.00 30.24 30.23 1sf7 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1sf7 s ALA 42 N -1.43 3.41 0.06 -1.58 0.00 -1.26 -4.98 121.76 115.99 1sf7 s ALA 42 Ca 0.33 -1.82 0.01 0.00 0.00 0.00 0.00 51.96 50.48 1sf7 s ALA 42 Cb 0.17 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 1sf7 s ALA 42 CO 0.23 -1.98 -0.06 0.95 0.00 0.00 0.00 175.76 174.90 1sf7 s THR 43 N 2.48 0.49 0.07 0.00 -4.23 -1.26 -4.15 115.64 109.04 1sf7 s THR 43 Ca 0.13 -1.49 -0.15 0.00 -1.18 0.00 0.00 61.69 59.00 1sf7 s THR 43 Cb -0.20 -1.10 0.03 0.00 1.34 0.00 0.00 72.50 72.57 1sf7 s THR 43 CO 0.11 -0.68 0.36 0.20 -0.54 0.00 0.00 174.62 174.07 1sf7 s ASN 44 N -2.31 -0.19 0.73 3.99 -0.87 -1.26 -5.03 114.94 110.01 1sf7 s ASN 44 Ca -0.00 -0.21 -0.01 0.00 -1.57 0.00 0.00 52.86 51.07 1sf7 s ASN 44 Cb -0.02 0.41 0.13 0.00 -0.02 0.00 0.00 41.25 41.76 1sf7 s ASN 44 CO -0.03 -0.71 1.01 -0.60 -2.57 0.00 0.00 177.10 174.19 1sf7 s ARG 45 N -3.01 1.64 0.28 -0.60 3.52 -1.26 0.58 118.95 120.08 1sf7 s ARG 45 Ca -0.02 -1.09 0.02 0.00 -0.13 0.00 0.00 55.73 54.51 1sf7 s ARG 45 Cb 0.01 -2.31 -0.06 0.00 -1.56 0.00 0.00 34.95 31.03 1sf7 s ARG 45 CO -0.06 -1.49 0.08 -0.80 -0.81 0.00 0.00 175.30 172.22 1sf7 s ASN 46 N -4.74 1.60 0.00 -2.12 0.01 -0.74 -4.77 114.94 104.18 1sf7 s ASN 46 Ca 0.67 -1.37 0.11 0.00 -0.71 0.00 0.00 52.86 51.55 1sf7 s ASN 46 Cb -0.05 0.08 0.50 0.00 0.41 0.00 0.00 41.25 42.18 1sf7 s ASN 46 CO 0.45 -0.68 1.29 0.41 -1.51 0.00 0.00 177.10 177.06 1sf7 n THR 47 N -0.53 1.01 1.00 1.60 -1.04 -1.26 -0.31 114.28 114.74 1sf7 n THR 47 Ca -0.01 0.25 0.10 0.00 -2.04 0.00 0.00 64.05 62.35 1sf7 n THR 47 Cb 0.66 -1.07 -0.11 0.00 -1.82 0.00 0.00 70.33 67.99 1sf7 n THR 47 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1sf7 n ASP 48 N -1.39 1.07 0.00 8.00 5.68 -1.26 -4.99 116.55 123.66 1sf7 n ASP 48 Ca 0.04 -1.03 0.00 0.00 -0.50 0.00 0.00 54.79 53.29 1sf7 n ASP 48 Cb 0.11 0.97 0.00 0.00 -1.14 0.00 0.00 41.12 41.05 1sf7 n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sf7 n GLY 49 N 1.49 1.11 3.70 6.12 0.00 0.57 -5.04 105.19 113.13 1sf7 n GLY 49 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1sf7 n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sf7 s SER 50 N -2.84 7.13 0.06 1.61 1.04 -1.26 -4.67 113.70 114.77 1sf7 s SER 50 Ca 0.00 1.38 -0.21 0.00 0.48 0.00 0.00 55.95 57.60 1sf7 s SER 50 Cb 0.00 -2.50 -0.06 0.00 0.10 0.00 0.00 66.02 63.56 1sf7 s SER 50 CO 0.00 -0.30 0.62 -0.89 0.98 0.00 0.00 173.24 173.65 1sf7 s THR 51 N 1.48 4.73 0.48 2.02 2.01 -1.26 -1.78 115.64 123.32 1sf7 s THR 51 Ca 0.44 1.33 -0.10 0.00 0.31 0.00 0.00 61.69 63.66 1sf7 s THR 51 Cb -0.18 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 1sf7 s THR 51 CO 0.19 0.50 0.86 -1.81 -0.69 0.00 0.00 174.62 173.67 1sf7 s ASP 52 N -0.80 6.42 -0.16 3.53 1.01 0.19 -0.72 116.67 126.15 1sf7 s ASP 52 Ca 0.31 1.21 -0.04 0.00 0.71 0.00 0.00 52.55 54.74 1sf7 s ASP 52 Cb -0.20 -2.36 0.06 0.00 1.01 0.00 0.00 42.92 41.42 1sf7 s ASP 52 CO 0.20 -0.57 0.08 -0.31 0.21 0.00 0.00 175.17 174.78 1sf7 s TYR 53 N -2.67 0.24 0.02 4.23 1.51 0.24 -4.18 117.35 116.75 1sf7 s TYR 53 Ca 0.52 -0.28 0.00 0.00 -1.01 0.00 0.00 57.07 56.30 1sf7 s TYR 53 Cb -0.10 -0.69 0.00 0.00 -0.11 0.00 0.00 41.96 41.06 1sf7 s TYR 53 CO 0.39 -0.48 0.00 0.41 -1.11 0.00 0.00 175.55 174.76 1sf7 n GLY 54 N 5.26 -2.09 0.27 0.71 0.00 -1.26 -3.44 105.19 104.65 1sf7 n GLY 54 Ca -0.07 -1.43 0.17 0.00 0.00 0.00 0.00 46.02 44.69 1sf7 n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1sf7 h ILE 55 N -0.09 0.00 0.00 -0.61 6.09 -1.62 0.19 117.51 121.47 1sf7 h ILE 55 Ca 0.00 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.46 1sf7 h ILE 55 Cb 0.09 0.73 -0.01 0.00 0.47 0.00 0.00 36.82 38.10 1sf7 h ILE 55 CO 0.00 0.00 -0.48 -0.07 -3.07 0.00 0.00 178.15 174.54 1sf7 h LEU 56 N 0.00 0.00 -1.63 2.19 3.38 -1.89 -3.32 115.31 114.04 1sf7 h LEU 56 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1sf7 h LEU 56 Cb 0.13 0.00 0.17 0.00 0.09 0.00 0.00 40.66 41.05 1sf7 h LEU 56 CO 0.00 0.15 -0.77 0.00 0.09 0.00 0.00 178.44 177.91 1sf7 n GLN 57 N -3.00 -6.66 -3.64 1.13 1.13 0.65 -4.99 117.38 101.99 1sf7 n GLN 57 Ca 0.01 0.85 -0.34 0.00 -1.94 0.00 0.00 57.00 55.59 1sf7 n GLN 57 Cb 0.60 -5.87 -0.05 0.00 0.11 0.00 0.00 30.24 25.03 1sf7 n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1sf7 s ILE 58 N -3.36 5.16 -0.11 5.09 1.01 -1.22 -4.72 121.20 123.05 1sf7 s ILE 58 Ca 0.01 0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.84 1sf7 s ILE 58 Cb -0.01 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1sf7 s ILE 58 CO 0.73 0.22 0.19 0.54 0.00 0.00 0.00 174.94 176.62 1sf7 s ASN 59 N -1.97 6.44 0.00 3.58 2.20 -1.26 0.83 114.94 124.77 1sf7 s ASN 59 Ca 0.34 0.53 0.18 0.00 -0.94 0.00 0.00 52.86 52.97 1sf7 s ASN 59 Cb -0.13 -2.10 0.89 0.00 -2.00 0.00 0.00 41.25 37.90 1sf7 s ASN 59 CO 0.20 0.36 1.53 -1.54 -2.94 0.00 0.00 177.10 174.71 1sf7 n SER 60 N 2.17 0.00 0.06 3.54 3.41 0.10 -2.57 113.62 120.33 1sf7 n SER 60 Ca -0.18 0.03 -0.12 0.00 -0.26 0.00 0.00 58.87 58.34 1sf7 n SER 60 Cb 0.54 -0.28 -0.08 0.00 -0.26 0.00 0.00 64.21 64.12 1sf7 n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1sf7 h ARG 61 N 0.00 -0.20 0.00 4.33 2.43 -1.83 -3.38 114.38 115.73 1sf7 h ARG 61 Ca 0.00 0.01 -0.22 0.00 -0.81 0.00 0.00 59.98 58.96 1sf7 h ARG 61 Cb 0.17 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 1sf7 h ARG 61 CO 0.00 0.22 -1.92 0.91 -1.51 0.00 0.00 179.97 177.67 1sf7 n TRP 62 N -4.96 0.00 -0.08 2.20 7.02 -1.22 -2.87 117.44 117.54 1sf7 n TRP 62 Ca -0.08 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.25 1sf7 n TRP 62 Cb 0.26 -0.64 -0.06 0.00 -2.42 0.00 0.00 31.31 28.45 1sf7 n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1sf7 n TRP 63 N -2.45 0.00 -4.09 -5.99 7.02 -1.06 -2.64 117.44 108.23 1sf7 n TRP 63 Ca -0.20 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.19 1sf7 n TRP 63 Cb 0.88 -0.57 -0.02 0.00 -2.42 0.00 0.00 31.31 29.19 1sf7 n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1sf7 s ASN 65 N -1.82 5.92 0.00 0.00 2.47 -1.25 -4.50 114.94 115.75 1sf7 s ASN 65 Ca 0.02 -0.51 0.00 0.00 0.42 0.00 0.00 52.86 52.78 1sf7 s ASN 65 Cb -0.00 -2.10 0.00 0.00 -1.45 0.00 0.00 41.25 37.70 1sf7 s ASN 65 CO 0.01 -0.25 0.00 -0.90 -3.72 0.00 0.00 177.10 172.24 1sf7 n ASP 66 N 5.07 0.79 0.00 -4.21 5.75 -1.26 -2.80 116.55 119.89 1sf7 n ASP 66 Ca -0.13 -0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.54 1sf7 n ASP 66 Cb 0.49 0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.97 1sf7 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sf7 n GLY 67 N 0.62 2.73 0.32 6.12 0.00 -1.26 -4.74 105.19 108.98 1sf7 n GLY 67 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1sf7 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1sf7 n ARG 68 N -1.98 1.43 -3.75 1.61 1.85 -1.26 -4.33 116.66 110.23 1sf7 n ARG 68 Ca 0.00 -0.64 -0.36 0.00 -1.00 0.00 0.00 57.85 55.85 1sf7 n ARG 68 Cb 0.00 -1.40 -0.11 0.00 -1.05 0.00 0.00 32.46 29.91 1sf7 n ARG 68 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1sf7 s THR 69 N -1.91 3.49 0.37 8.89 -4.23 -1.26 -5.08 115.64 115.91 1sf7 s THR 69 Ca 0.34 -2.61 -0.24 0.00 -1.18 0.00 0.00 61.69 58.00 1sf7 s THR 69 Cb 0.17 -3.33 -0.10 0.00 1.34 0.00 0.00 72.50 70.58 1sf7 s THR 69 CO 0.28 -0.80 0.97 -2.84 -0.54 0.00 0.00 174.62 171.68 1sf7 s PRO 70 N 0.41 4.39 -0.57 3.99 0.02 -1.26 -2.81 135.00 139.17 1sf7 s PRO 70 Ca 0.13 1.30 0.00 0.00 0.02 0.00 0.00 61.00 62.46 1sf7 s PRO 70 Cb -0.21 -2.56 0.00 0.00 0.02 0.00 0.00 34.50 31.74 1sf7 s PRO 70 CO -0.04 0.10 0.00 0.41 -0.33 0.00 0.00 177.00 177.15 1sf7 n GLY 71 N 0.17 0.76 3.75 0.52 0.00 -1.26 -4.96 105.19 104.16 1sf7 n GLY 71 Ca 0.04 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 1sf7 n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sf7 s SER 72 N -2.53 7.58 -0.10 1.61 0.15 -1.12 -4.98 113.70 114.31 1sf7 s SER 72 Ca 0.00 1.87 -0.27 0.00 0.70 0.00 0.00 55.95 58.24 1sf7 s SER 72 Cb 0.00 -2.58 -0.23 0.00 -1.71 0.00 0.00 66.02 61.49 1sf7 s SER 72 CO 0.00 0.16 0.94 0.03 1.20 0.00 0.00 173.24 175.57 1sf7 h ARG 73 N 4.28 -0.01 -5.74 5.44 3.08 -1.67 -3.48 114.38 116.29 1sf7 h ARG 73 Ca -0.45 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.25 1sf7 h ARG 73 Cb 1.20 0.00 0.15 0.00 0.08 0.00 0.00 29.97 31.40 1sf7 h ARG 73 CO 0.68 0.79 -0.77 -1.71 -1.07 0.00 0.00 179.97 177.88 1sf7 n ASN 74 N -4.71 -2.23 0.10 7.04 5.15 -1.08 -4.86 115.26 114.67 1sf7 n ASN 74 Ca -0.09 -0.65 0.12 0.00 -0.60 0.00 0.00 54.58 53.36 1sf7 n ASN 74 Cb 0.39 -4.95 0.45 0.00 -0.53 0.00 0.00 39.78 35.14 1sf7 n ASN 74 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1sf7 n LEU 75 N -4.22 0.65 -0.01 1.20 4.77 -1.22 -2.62 117.00 115.56 1sf7 n LEU 75 Ca -0.27 0.61 -0.05 0.00 -0.03 0.00 0.00 56.01 56.27 1sf7 n LEU 75 Cb 0.66 -0.45 0.16 0.00 -2.33 0.00 0.00 43.42 41.46 1sf7 n LEU 75 CO 0.63 -0.34 0.70 0.00 -1.33 0.00 0.00 177.39 177.05 1sf7 n ASN 77 N -4.10 -3.20 -3.66 0.00 3.02 -1.08 -5.01 115.26 101.23 1sf7 n ASN 77 Ca -0.00 -0.60 -0.15 0.00 -0.03 0.00 0.00 54.58 53.80 1sf7 n ASN 77 Cb 0.43 -5.08 -0.08 0.00 -0.61 0.00 0.00 39.78 34.44 1sf7 n ASN 77 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1sf7 s ILE 78 N -3.35 0.02 0.30 2.41 1.01 -1.26 -5.12 121.20 115.20 1sf7 s ILE 78 Ca 0.16 -0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.36 1sf7 s ILE 78 Cb -0.07 -0.78 -0.11 0.00 0.01 0.00 0.00 42.46 41.51 1sf7 s ILE 78 CO 0.73 -0.08 1.52 -2.16 0.00 0.00 0.00 174.94 174.95 1sf7 s PRO 79 N -0.69 4.17 0.44 2.79 0.04 -1.26 -3.95 135.00 136.53 1sf7 s PRO 79 Ca -0.08 2.49 0.19 0.00 0.04 0.00 0.00 61.00 63.64 1sf7 s PRO 79 Cb -0.03 -3.04 1.13 0.00 0.04 0.00 0.00 34.50 32.61 1sf7 s PRO 79 CO 0.05 -0.54 1.89 0.00 0.04 0.00 0.00 177.00 178.44 1sf7 n SER 81 N -4.46 0.00 0.00 0.00 3.41 -1.26 -3.04 113.62 108.26 1sf7 n SER 81 Ca 0.17 -0.24 0.10 0.00 -0.26 0.00 0.00 58.87 58.64 1sf7 n SER 81 Cb 0.65 -0.17 0.62 0.00 -0.26 0.00 0.00 64.21 65.05 1sf7 n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sf7 n ALA 82 N -1.17 2.54 -0.00 7.33 0.00 0.28 -4.05 120.51 125.44 1sf7 n ALA 82 Ca 0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 53.44 53.42 1sf7 n ALA 82 Cb 0.11 -1.34 -0.00 0.00 0.00 0.00 0.00 19.45 18.22 1sf7 n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sf7 n LEU 83 N -0.85 2.23 0.30 0.00 4.77 -1.17 -4.66 117.00 117.62 1sf7 n LEU 83 Ca 0.16 -0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.32 1sf7 n LEU 83 Cb 0.07 -0.00 1.01 0.00 -2.33 0.00 0.00 43.42 42.17 1sf7 n LEU 83 CO 0.12 0.38 1.16 -0.07 -1.33 0.00 0.00 177.39 177.64 1sf7 h LEU 84 N 0.00 0.00-10.34 2.23 3.38 -1.77 -3.43 115.31 105.38 1sf7 h LEU 84 Ca -0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 1sf7 h LEU 84 Cb 1.01 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.90 1sf7 h LEU 84 CO -0.00 0.00 0.27 -0.55 0.09 0.00 0.00 178.44 178.25 1sf7 s SER 85 N -5.44 3.80 0.46 -0.43 0.15 -1.26 -4.42 113.70 106.56 1sf7 s SER 85 Ca -0.05 1.54 0.22 0.00 0.70 0.00 0.00 55.95 58.36 1sf7 s SER 85 Cb 0.13 -2.23 1.22 0.00 -1.71 0.00 0.00 66.02 63.43 1sf7 s SER 85 CO 0.46 -2.44 1.88 0.77 1.20 0.00 0.00 173.24 175.11 1sf7 h SER 86 N -1.41 0.26 -3.46 5.45 4.64 -1.98 -3.36 113.55 113.69 1sf7 h SER 86 Ca -0.48 0.03 -0.60 0.00 -0.47 0.00 0.00 61.79 60.27 1sf7 h SER 86 Cb 1.27 -0.02 -0.10 0.00 -0.31 0.00 0.00 62.40 63.23 1sf7 h SER 86 CO 0.54 0.11 -0.03 -0.62 -0.87 0.00 0.00 176.83 175.96 1sf7 s ASP 87 N -5.72 6.57 -0.11 4.97 2.15 -1.26 -4.90 116.67 118.37 1sf7 s ASP 87 Ca -0.07 0.69 0.16 0.00 0.43 0.00 0.00 52.55 53.75 1sf7 s ASP 87 Cb 0.22 -2.30 0.24 0.00 -0.30 0.00 0.00 42.92 40.78 1sf7 s ASP 87 CO 0.77 -0.19 1.12 -0.38 -0.17 0.00 0.00 175.17 176.33 1sf7 n ILE 88 N 4.55 1.72 0.16 4.11 5.41 -1.26 -4.81 119.36 129.24 1sf7 n ILE 88 Ca -0.04 -2.03 0.19 0.00 1.00 0.00 0.00 62.75 61.86 1sf7 n ILE 88 Cb 0.50 -0.11 0.78 0.00 -0.71 0.00 0.00 39.64 40.11 1sf7 n ILE 88 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1sf7 h THR 89 N 0.05 0.34 -0.01 1.39 2.02 -1.95 -2.04 112.91 112.71 1sf7 h THR 89 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1sf7 h THR 89 Cb 0.92 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1sf7 h THR 89 CO 0.00 0.00 -0.14 0.00 0.37 0.00 0.00 175.52 175.75 1sf7 n ALA 90 N -2.27 2.68 0.34 6.16 0.00 -1.26 -4.78 120.51 121.38 1sf7 n ALA 90 Ca 0.04 -0.43 0.03 0.00 0.00 0.00 0.00 53.44 53.09 1sf7 n ALA 90 Cb 0.51 -0.28 0.18 0.00 0.00 0.00 0.00 19.45 19.85 1sf7 n ALA 90 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1sf7 n SER 91 N -0.18 0.00 -0.09 0.00 7.64 -0.77 -3.57 113.62 116.65 1sf7 n SER 91 Ca 0.04 0.09 0.04 0.00 1.01 0.00 0.00 58.87 60.05 1sf7 n SER 91 Cb 0.17 -0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 63.13 1sf7 n SER 91 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1sf7 n VAL 92 N -1.22 0.00 -0.09 0.44 0.31 -1.26 -4.57 118.33 111.94 1sf7 n VAL 92 Ca 0.04 -0.34 0.25 0.00 -0.01 0.00 0.00 64.34 64.28 1sf7 n VAL 92 Cb 0.05 1.05 0.72 0.00 -0.91 0.00 0.00 33.84 34.74 1sf7 n VAL 92 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1sf7 h ASN 93 N 0.44 0.00 0.00 4.52 2.35 -1.95 0.17 115.58 121.11 1sf7 h ASN 93 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1sf7 h ASN 93 Cb 0.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1sf7 h ASN 93 CO 0.00 0.00 -0.32 0.00 -1.65 0.00 0.00 177.43 175.46 1sf7 h ALA 95 N -0.51 1.04 -0.12 0.00 0.00 -1.53 0.09 119.26 118.23 1sf7 h ALA 95 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1sf7 h ALA 95 Cb 0.72 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1sf7 h ALA 95 CO -0.04 -0.04 -0.18 0.87 0.00 0.00 0.00 179.25 179.86 1sf7 h LYS 96 N 0.00 0.33 0.00 0.00 1.57 -0.83 -3.28 116.57 114.36 1sf7 h LYS 96 Ca 0.00 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1sf7 h LYS 96 Cb 0.09 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1sf7 h LYS 96 CO 0.00 0.77 -0.77 1.63 -0.57 0.00 0.00 179.45 180.51 1sf7 n LYS 97 N -4.54 0.11 0.17 3.15 5.02 -0.34 -4.14 118.16 117.59 1sf7 n LYS 97 Ca -0.07 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.32 1sf7 n LYS 97 Cb 0.39 -1.54 0.48 0.00 -0.02 0.00 0.00 35.03 34.34 1sf7 n LYS 97 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1sf7 h ILE 98 N 0.00 0.00 0.00 -0.18 2.04 -1.10 0.63 117.51 118.89 1sf7 h ILE 98 Ca 0.00 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.69 1sf7 h ILE 98 Cb 0.59 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1sf7 h ILE 98 CO 0.00 0.00 -2.11 0.52 0.00 0.00 0.00 178.15 176.56 1sf7 n VAL 99 N -2.18 0.63 0.38 1.67 0.31 -1.26 -4.38 118.33 113.51 1sf7 n VAL 99 Ca -0.01 -0.63 0.13 0.00 -0.01 0.00 0.00 64.34 63.82 1sf7 n VAL 99 Cb 0.20 -0.22 0.52 0.00 -0.91 0.00 0.00 33.84 33.42 1sf7 n VAL 99 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1sf7 h SER 100 N 0.00 0.00 0.12 4.52 0.87 0.06 -2.61 113.55 116.52 1sf7 h SER 100 Ca -0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1sf7 h SER 100 Cb 1.53 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.49 1sf7 h SER 100 CO 0.01 0.00 0.00 -0.67 -0.53 0.00 0.00 176.83 175.64 1sf7 n ASP 101 N -2.36 0.00 0.00 6.23 2.03 -1.12 -4.84 116.55 116.49 1sf7 n ASP 101 Ca 0.02 -0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.10 1sf7 n ASP 101 Cb 0.24 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 1sf7 n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sf7 n GLY 102 N -0.05 0.75 0.08 0.27 0.00 -0.99 -4.94 105.19 100.31 1sf7 n GLY 102 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 1sf7 n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sf7 n ASN 103 N 0.00 1.60 0.00 1.61 5.15 -1.25 -5.09 115.26 117.27 1sf7 n ASN 103 Ca 0.00 -1.50 0.00 0.00 -0.60 0.00 0.00 54.58 52.48 1sf7 n ASN 103 Cb 0.00 -0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.23 1sf7 n ASN 103 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sf7 n GLY 104 N -0.12 0.36 0.00 8.20 0.00 -1.21 -2.59 105.19 109.84 1sf7 n GLY 104 Ca 0.01 -0.86 0.05 0.00 0.00 0.00 0.00 46.02 45.22 1sf7 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1sf7 n MET 105 N 0.00 0.22 0.02 1.61 2.81 -1.26 -3.45 117.12 117.06 1sf7 n MET 105 Ca 0.00 0.11 0.20 0.00 -1.81 0.00 0.00 57.70 56.20 1sf7 n MET 105 Cb 0.00 -1.50 0.70 0.00 -0.71 0.00 0.00 33.22 31.71 1sf7 n MET 105 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 1sf7 h ASN 106 N 0.00 0.00 -0.44 7.83 -1.24 -1.89 0.79 115.58 120.64 1sf7 h ASN 106 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1sf7 h ASN 106 Cb 0.05 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.08 1sf7 h ASN 106 CO 0.00 0.00 0.28 0.00 -1.29 0.00 0.00 177.43 176.42 1sf7 h ALA 107 N 1.72 0.56 -2.74 1.57 0.00 -1.81 -3.39 119.26 115.17 1sf7 h ALA 107 Ca 0.24 -0.05 -0.52 0.00 0.00 0.00 0.00 54.91 54.59 1sf7 h ALA 107 Cb 1.00 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.64 1sf7 h ALA 107 CO -0.00 0.03 0.55 -1.58 0.00 0.00 0.00 179.25 178.24 1sf7 s TRP 108 N -6.07 3.41 -0.20 0.00 0.51 0.28 -4.94 118.94 111.92 1sf7 s TRP 108 Ca -0.13 1.49 -0.18 0.00 -2.12 0.00 0.00 56.10 55.16 1sf7 s TRP 108 Cb 0.11 -3.43 -0.15 0.00 -0.81 0.00 0.00 33.47 29.19 1sf7 s TRP 108 CO 0.73 -1.13 0.07 0.28 -0.51 0.00 0.00 176.95 176.39 1sf7 n VAL 109 N 1.89 1.51 -0.08 4.03 0.31 -1.26 -4.41 118.33 120.31 1sf7 n VAL 109 Ca 0.02 -0.02 -0.08 0.00 -0.01 0.00 0.00 64.34 64.26 1sf7 n VAL 109 Cb 0.44 -2.09 -0.00 0.00 -0.91 0.00 0.00 33.84 31.27 1sf7 n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sf7 h ALA 110 N -0.65 0.35 -0.71 3.52 0.00 -1.92 -2.82 119.26 117.03 1sf7 h ALA 110 Ca -0.32 0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.73 1sf7 h ALA 110 Cb 1.19 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 1sf7 h ALA 110 CO -0.19 -0.28 0.33 2.35 0.00 0.00 0.00 179.25 181.45 1sf7 h TRP 111 N 0.26 0.57 -0.15 0.00 7.01 -1.93 1.91 115.95 123.62 1sf7 h TRP 111 Ca 0.13 0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.21 1sf7 h TRP 111 Cb 0.09 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 1sf7 h TRP 111 CO -0.12 0.17 0.33 -0.09 -2.79 0.00 0.00 178.44 175.94 1sf7 h ARG 112 N 0.53 0.00 0.00 2.65 2.43 -1.71 0.66 114.38 118.95 1sf7 h ARG 112 Ca 0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1sf7 h ARG 112 Cb 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1sf7 h ARG 112 CO -0.31 0.00 -0.85 0.09 -1.51 0.00 0.00 179.97 177.39 1sf7 n ASN 113 N -3.26 2.38 -0.11 -3.80 3.02 -0.13 -4.31 115.26 109.05 1sf7 n ASN 113 Ca 0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.43 1sf7 n ASN 113 Cb 0.43 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.58 1sf7 n ASN 113 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1sf7 h ARG 114 N 0.00 0.91 0.00 3.52 2.47 0.29 -3.30 114.38 118.27 1sf7 h ARG 114 Ca 0.00 -0.50 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 1sf7 h ARG 114 Cb 0.85 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 1sf7 h ARG 114 CO 0.00 1.15 -1.03 0.00 0.56 0.00 0.00 179.97 180.65 1sf7 s LYS 116 N -2.69 4.67 -1.05 0.00 2.20 0.21 -3.14 119.74 119.95 1sf7 s LYS 116 Ca 0.03 1.64 0.00 0.00 -0.36 0.00 0.00 55.97 57.28 1sf7 s LYS 116 Cb 0.12 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 1sf7 s LYS 116 CO 0.67 0.21 0.00 0.41 -0.36 0.00 0.00 175.35 176.28 1sf7 n GLY 117 N 1.84 1.11 1.82 5.54 0.00 -1.26 -4.80 105.19 109.44 1sf7 n GLY 117 Ca 0.01 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 1sf7 n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sf7 n THR 118 N -2.60 0.00 -3.11 2.61 -2.24 -1.19 -5.01 114.28 102.74 1sf7 n THR 118 Ca -0.10 -1.00 -0.40 0.00 -2.27 0.00 0.00 64.05 60.28 1sf7 n THR 118 Cb 0.38 -0.42 -0.01 0.00 -2.10 0.00 0.00 70.33 68.18 1sf7 n THR 118 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1sf7 n ASP 119 N -2.15 5.88 0.15 3.42 -0.08 -1.26 -4.72 116.55 117.79 1sf7 n ASP 119 Ca 0.02 -3.40 0.13 0.00 -1.51 0.00 0.00 54.79 50.02 1sf7 n ASP 119 Cb 0.29 -1.16 0.49 0.00 2.34 0.00 0.00 41.12 43.08 1sf7 n ASP 119 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1sf7 h VAL 120 N 3.40 0.00 -0.00 5.18 -1.51 -1.94 0.10 116.25 121.48 1sf7 h VAL 120 Ca 0.20 -0.36 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 1sf7 h VAL 120 Cb 0.64 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 1sf7 h VAL 120 CO 1.22 0.00 -0.03 0.00 -1.23 0.00 0.00 177.57 177.53 1sf7 n GLN 121 N -2.40 0.46 -0.07 5.19 1.13 -1.26 -3.31 117.38 117.13 1sf7 n GLN 121 Ca 0.03 -0.05 0.12 0.00 -1.94 0.00 0.00 57.00 55.16 1sf7 n GLN 121 Cb 0.30 -1.50 0.26 0.00 0.11 0.00 0.00 30.24 29.41 1sf7 n GLN 121 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sf7 n ALA 122 N -1.23 2.48 -0.11 -1.58 0.00 0.35 -4.32 120.51 116.10 1sf7 n ALA 122 Ca 0.14 -0.70 -0.24 0.00 0.00 0.00 0.00 53.44 52.64 1sf7 n ALA 122 Cb 0.25 -0.94 -0.12 0.00 0.00 0.00 0.00 19.45 18.65 1sf7 n ALA 122 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1sf7 n TRP 123 N 1.01 0.39 0.63 0.00 7.02 -1.21 -4.32 117.44 120.95 1sf7 n TRP 123 Ca 0.17 0.12 0.08 0.00 -1.02 0.00 0.00 57.50 56.85 1sf7 n TRP 123 Cb 0.51 -1.04 0.36 0.00 -2.42 0.00 0.00 31.31 28.72 1sf7 n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1sf7 n ILE 124 N -3.86 0.76 -2.52 -0.99 -5.35 -1.26 -4.76 119.36 101.38 1sf7 n ILE 124 Ca -0.44 0.19 -0.33 0.00 -0.27 0.00 0.00 62.75 61.90 1sf7 n ILE 124 Cb 0.91 -0.93 -0.04 0.00 -1.74 0.00 0.00 39.64 37.84 1sf7 n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1sf7 s ARG 125 N -2.80 3.90 0.00 6.28 3.52 -1.26 -3.85 118.95 124.74 1sf7 s ARG 125 Ca 0.11 1.15 0.00 0.00 -0.13 0.00 0.00 55.73 56.86 1sf7 s ARG 125 Cb 0.10 -2.12 0.00 0.00 -1.56 0.00 0.00 34.95 31.37 1sf7 s ARG 125 CO 0.26 -0.32 0.00 0.41 -0.81 0.00 0.00 175.30 174.84 1sf7 n GLY 126 N -0.83 0.73 3.18 8.12 0.00 -1.26 -5.05 105.19 110.08 1sf7 n GLY 126 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1sf7 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sf7 s ARG 128 N -0.82 4.29 0.00 0.00 3.52 -1.26 -5.11 118.95 119.57 1sf7 s ARG 128 Ca 0.06 1.37 0.00 0.00 -0.13 0.00 0.00 55.73 57.02 1sf7 s ARG 128 Cb -0.07 -3.62 0.00 0.00 -1.56 0.00 0.00 34.95 29.70 1sf7 s ARG 128 CO 0.01 -0.56 0.00 1.28 -0.81 0.00 0.00 175.30 175.21