#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1crb s VAL 2 N 0.00 0.71 -0.30 -1.45 -7.23 -1.26 -4.88 120.40 106.00 1crb s VAL 2 Ca 0.00 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.09 1crb s VAL 2 Cb 0.00 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.45 1crb s VAL 2 CO 0.00 0.00 0.10 -0.62 -0.31 0.00 0.00 175.10 174.27 1crb s ASP 3 N -3.54 5.22 0.00 4.85 2.15 -1.26 -4.97 116.67 119.13 1crb s ASP 3 Ca 0.29 -0.63 0.25 0.00 0.43 0.00 0.00 52.55 52.89 1crb s ASP 3 Cb 0.05 -1.91 0.49 0.00 -0.30 0.00 0.00 42.92 41.24 1crb s ASP 3 CO 0.15 -0.18 1.40 0.49 -0.17 0.00 0.00 175.17 176.86 1crb n PHE 4 N 4.90 0.00 -1.60 -5.34 3.72 -1.26 -4.99 117.46 112.89 1crb n PHE 4 Ca -0.14 0.00 -0.54 0.00 -0.05 0.00 0.00 57.45 56.71 1crb n PHE 4 Cb 0.48 -0.11 -0.07 0.00 -0.94 0.00 0.00 39.48 38.85 1crb n PHE 4 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1crb n ASN 5 N -0.74 1.48 0.00 4.37 3.02 -1.26 -4.65 115.26 117.48 1crb n ASN 5 Ca 0.10 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.77 1crb n ASN 5 Cb 0.37 -1.14 0.00 0.00 -0.61 0.00 0.00 39.78 38.40 1crb n ASN 5 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1crb n GLY 6 N 2.62 -0.16 3.23 7.41 0.00 -0.95 -4.99 105.19 112.34 1crb n GLY 6 Ca 0.20 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.18 1crb n GLY 6 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1crb s TYR 7 N -1.70 2.70 0.04 1.61 5.04 -1.26 -1.59 117.35 122.19 1crb s TYR 7 Ca 0.00 -1.12 0.07 0.00 -2.44 0.00 0.00 57.07 53.59 1crb s TYR 7 Cb 0.00 -1.82 -0.02 0.00 0.35 0.00 0.00 41.96 40.46 1crb s TYR 7 CO 0.00 -0.49 -0.21 -1.58 -1.34 0.00 0.00 175.55 171.93 1crb s TRP 8 N 0.68 1.87 0.05 4.97 0.52 0.65 -1.05 118.94 126.62 1crb s TRP 8 Ca -0.09 -0.38 0.07 0.00 0.02 0.00 0.00 56.10 55.72 1crb s TRP 8 Cb -0.16 -1.12 -0.03 0.00 -1.15 0.00 0.00 33.47 31.01 1crb s TRP 8 CO 0.02 0.09 -0.16 -1.59 0.02 0.00 0.00 176.95 175.32 1crb s LYS 9 N -1.14 2.11 0.14 4.98 -2.85 -0.55 -0.19 119.74 122.25 1crb s LYS 9 Ca 0.08 -0.97 -0.31 0.00 -1.00 0.00 0.00 55.97 53.77 1crb s LYS 9 Cb -0.09 -2.23 -0.08 0.00 -2.06 0.00 0.00 37.83 33.37 1crb s LYS 9 CO 0.02 0.54 1.35 1.41 0.10 0.00 0.00 175.35 178.76 1crb s MET 10 N -1.55 4.35 -0.23 1.78 -2.45 -1.19 -0.52 119.30 119.48 1crb s MET 10 Ca 0.16 2.04 -0.16 0.00 -1.25 0.00 0.00 55.69 56.48 1crb s MET 10 Cb -0.11 -3.24 -0.09 0.00 1.25 0.00 0.00 34.83 32.64 1crb s MET 10 CO 0.07 -0.36 -0.34 1.28 1.05 0.00 0.00 175.02 176.72 1crb n LEU 11 N 3.51 1.94 -4.09 4.11 4.77 0.69 -4.88 117.00 123.06 1crb n LEU 11 Ca 0.09 0.34 -0.09 0.00 -0.03 0.00 0.00 56.01 56.33 1crb n LEU 11 Cb 0.43 -0.79 -0.10 0.00 -2.33 0.00 0.00 43.42 40.63 1crb n LEU 11 CO 0.58 0.16 -0.37 -0.94 -1.33 0.00 0.00 177.39 175.48 1crb s SER 12 N -6.72 0.68 -0.05 -1.43 1.04 -1.05 -4.99 113.70 101.19 1crb s SER 12 Ca -0.34 -0.83 -0.02 0.00 0.48 0.00 0.00 55.95 55.25 1crb s SER 12 Cb 0.09 0.12 0.04 0.00 0.10 0.00 0.00 66.02 66.37 1crb s SER 12 CO 0.46 -0.44 0.10 0.21 0.98 0.00 0.00 173.24 174.56 1crb s ASN 13 N -2.45 -0.01 -0.05 7.02 2.47 -1.26 -1.62 114.94 119.05 1crb s ASN 13 Ca 0.01 0.21 0.01 0.00 0.42 0.00 0.00 52.86 53.50 1crb s ASN 13 Cb 0.01 0.10 0.02 0.00 -1.45 0.00 0.00 41.25 39.93 1crb s ASN 13 CO -0.05 -0.15 -0.03 -0.70 -3.72 0.00 0.00 177.10 172.45 1crb s GLU 14 N 1.19 0.75 -1.69 0.43 2.12 0.83 -4.84 118.70 117.50 1crb s GLU 14 Ca -0.09 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.19 1crb s GLU 14 Cb -0.12 -0.84 0.00 0.00 0.26 0.00 0.00 34.13 33.43 1crb s GLU 14 CO -0.05 -0.13 0.00 -1.71 -0.54 0.00 0.00 175.26 172.83 1crb n ASN 15 N 4.26 -5.37 -0.16 -1.70 5.15 -1.26 -1.41 115.26 114.77 1crb n ASN 15 Ca -0.22 0.10 -0.08 0.00 -0.60 0.00 0.00 54.58 53.78 1crb n ASN 15 Cb 0.51 -4.44 0.06 0.00 -0.53 0.00 0.00 39.78 35.37 1crb n ASN 15 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1crb h PHE 16 N 0.00 1.06 -0.59 1.20 3.57 -1.89 -2.70 116.94 117.58 1crb h PHE 16 Ca -0.43 -0.20 -0.03 0.00 3.53 0.00 0.00 57.97 60.84 1crb h PHE 16 Cb 1.30 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 1crb h PHE 16 CO 0.50 0.98 0.24 0.93 -2.23 0.00 0.00 178.31 178.73 1crb h GLU 17 N 0.87 0.85 -0.04 1.11 5.08 -1.91 -1.17 114.58 119.37 1crb h GLU 17 Ca 0.15 -0.13 -0.19 0.00 -1.00 0.00 0.00 59.36 58.19 1crb h GLU 17 Cb 0.60 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1crb h GLU 17 CO 0.04 0.69 -0.80 1.49 -1.00 0.00 0.00 179.01 179.43 1crb h GLU 18 N 0.84 0.36 -0.70 2.33 4.81 -1.95 -1.81 114.58 118.45 1crb h GLU 18 Ca 0.20 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1crb h GLU 18 Cb 0.15 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1crb h GLU 18 CO -0.02 0.98 0.35 -0.92 -0.73 0.00 0.00 179.01 178.68 1crb h TYR 19 N 0.23 1.00 0.00 0.92 3.20 -1.11 -1.60 116.97 119.61 1crb h TYR 19 Ca -0.04 -0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.67 1crb h TYR 19 Cb 1.39 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 39.33 1crb h TYR 19 CO 0.04 0.73 -0.56 -0.07 -1.64 0.00 0.00 178.16 176.66 1crb h LEU 20 N 0.98 0.00 -0.87 2.82 3.38 -1.16 -2.77 115.31 117.68 1crb h LEU 20 Ca 0.24 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.13 1crb h LEU 20 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1crb h LEU 20 CO -0.03 0.56 -0.08 -0.09 0.09 0.00 0.00 178.44 178.88 1crb h ARG 21 N 0.00 0.75 0.00 1.13 2.43 -0.83 -1.69 114.38 116.16 1crb h ARG 21 Ca -0.01 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1crb h ARG 21 Cb 1.00 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1crb h ARG 21 CO 0.07 0.81 0.00 0.00 -1.51 0.00 0.00 179.97 179.35 1crb h ALA 22 N 1.22 1.00 -0.40 2.80 0.00 -1.02 -1.46 119.26 121.41 1crb h ALA 22 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1crb h ALA 22 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1crb h ALA 22 CO 0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.56 1crb n LEU 23 N -2.95 3.40 -1.15 0.00 4.77 -0.75 -4.86 117.00 115.46 1crb n LEU 23 Ca -0.01 -1.56 -0.10 0.00 -0.03 0.00 0.00 56.01 54.32 1crb n LEU 23 Cb 0.19 -0.26 -0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1crb n LEU 23 CO 0.22 0.75 -0.12 0.47 -1.33 0.00 0.00 177.39 177.38 1crb n ASP 24 N 1.40 -3.37 -4.74 -1.43 8.00 -0.55 -4.87 116.55 111.00 1crb n ASP 24 Ca 0.19 -0.01 -0.41 0.00 0.71 0.00 0.00 54.79 55.27 1crb n ASP 24 Cb 0.58 -2.62 -0.05 0.00 -0.02 0.00 0.00 41.12 39.01 1crb n ASP 24 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1crb s VAL 25 N -2.51 4.41 0.60 2.53 1.01 -0.71 -5.01 120.40 120.73 1crb s VAL 25 Ca 0.00 2.02 -0.20 0.00 0.00 0.00 0.00 61.98 63.81 1crb s VAL 25 Cb -0.00 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 1crb s VAL 25 CO 0.01 0.37 1.33 -0.46 0.00 0.00 0.00 175.10 176.35 1crb n ASN 26 N 2.44 2.38 -0.15 3.32 0.23 -1.26 -4.63 115.26 117.59 1crb n ASN 26 Ca 0.01 0.90 -0.03 0.00 -0.53 0.00 0.00 54.58 54.92 1crb n ASN 26 Cb 0.49 -1.57 0.04 0.00 -2.08 0.00 0.00 39.78 36.66 1crb n ASN 26 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1crb h VAL 27 N 0.94 0.55 -0.14 3.53 2.07 -1.99 -0.58 116.25 120.64 1crb h VAL 27 Ca -0.51 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.04 1crb h VAL 27 Cb 1.32 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1crb h VAL 27 CO 0.55 0.01 -0.12 0.00 0.02 0.00 0.00 177.57 178.03 1crb h ALA 28 N 1.47 -0.01 0.00 1.67 0.00 -2.00 -1.07 119.26 119.31 1crb h ALA 28 Ca 0.23 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 1crb h ALA 28 Cb 0.36 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1crb h ALA 28 CO -0.47 -0.56 -0.24 1.25 0.00 0.00 0.00 179.25 179.23 1crb h LEU 29 N -0.13 0.00 -0.35 0.00 5.85 -1.84 -1.88 115.31 116.96 1crb h LEU 29 Ca 0.09 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 1crb h LEU 29 Cb 0.26 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1crb h LEU 29 CO -0.22 0.24 -0.23 0.03 -0.34 0.00 0.00 178.44 177.92 1crb h ARG 30 N 0.00 0.77 -0.22 1.25 3.08 -0.28 -0.30 114.38 118.68 1crb h ARG 30 Ca -0.00 -0.36 -0.09 0.00 0.07 0.00 0.00 59.98 59.60 1crb h ARG 30 Cb 0.46 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 1crb h ARG 30 CO 0.03 0.99 -0.19 0.87 -1.07 0.00 0.00 179.97 180.59 1crb h LYS 31 N 0.55 0.53 -0.12 0.04 1.79 -0.95 -2.02 116.57 116.40 1crb h LYS 31 Ca 0.07 -0.27 -0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1crb h LYS 31 Cb 0.79 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.44 1crb h LYS 31 CO 0.06 0.85 0.06 0.82 -1.08 0.00 0.00 179.45 180.16 1crb h ILE 32 N 0.22 1.10 -0.58 1.86 2.04 -1.35 -2.87 117.51 117.94 1crb h ILE 32 Ca 0.04 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1crb h ILE 32 Cb 0.73 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1crb h ILE 32 CO 0.05 0.09 0.31 0.00 0.00 0.00 0.00 178.15 178.60 1crb h ALA 33 N 0.95 1.46 0.00 1.87 0.00 -1.05 -2.16 119.26 120.33 1crb h ALA 33 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1crb h ALA 33 Cb 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1crb h ALA 33 CO -0.01 0.45 0.00 -0.97 0.00 0.00 0.00 179.25 178.72 1crb h ASN 34 N 0.81 0.00 0.18 0.00 -1.24 -1.22 -2.87 115.58 111.24 1crb h ASN 34 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.22 1crb h ASN 34 Cb 0.03 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.08 1crb h ASN 34 CO -0.03 0.00 -0.45 0.18 -1.29 0.00 0.00 177.43 175.84 1crb n LEU 35 N -2.71 1.20 -4.81 0.34 4.77 -0.83 -4.91 117.00 110.06 1crb n LEU 35 Ca 0.03 -0.38 -0.37 0.00 -0.03 0.00 0.00 56.01 55.25 1crb n LEU 35 Cb 0.35 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 1crb n LEU 35 CO 0.27 0.24 0.40 -0.76 -1.33 0.00 0.00 177.39 176.21 1crb s LEU 36 N -2.64 4.44 -0.75 2.23 1.43 -1.08 -5.03 118.68 117.27 1crb s LEU 36 Ca 0.18 1.43 0.03 0.00 -1.03 0.00 0.00 54.13 54.75 1crb s LEU 36 Cb 0.18 -3.38 0.20 0.00 0.03 0.00 0.00 46.19 43.23 1crb s LEU 36 CO 0.61 0.12 0.64 0.29 0.23 0.00 0.00 176.35 178.24 1crb n LYS 37 N 1.12 2.24 -1.84 1.70 4.76 -1.26 -5.03 118.16 119.86 1crb n LYS 37 Ca -0.05 -4.53 -0.33 0.00 -2.87 0.00 0.00 58.31 50.53 1crb n LYS 37 Cb 0.50 -2.32 0.04 0.00 -1.84 0.00 0.00 35.03 31.41 1crb n LYS 37 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1crb s PRO 38 N -1.68 2.89 0.49 1.97 0.04 -1.26 -4.63 135.00 132.81 1crb s PRO 38 Ca 0.29 1.43 0.02 0.00 0.04 0.00 0.00 61.00 62.77 1crb s PRO 38 Cb -0.01 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.59 1crb s PRO 38 CO -0.12 -1.19 0.70 -0.51 0.04 0.00 0.00 177.00 175.92 1crb s ASP 39 N -2.45 5.54 -0.09 6.66 1.01 -0.35 -3.19 116.67 123.81 1crb s ASP 39 Ca 0.68 0.03 -0.02 0.00 0.71 0.00 0.00 52.55 53.95 1crb s ASP 39 Cb -0.21 -1.09 0.03 0.00 1.01 0.00 0.00 42.92 42.66 1crb s ASP 39 CO 0.39 -0.91 0.01 -0.54 0.21 0.00 0.00 175.17 174.33 1crb s LYS 40 N -4.61 0.60 -0.26 8.23 1.02 0.74 -0.62 119.74 124.85 1crb s LYS 40 Ca 0.53 0.05 -0.07 0.00 0.02 0.00 0.00 55.97 56.51 1crb s LYS 40 Cb -0.10 -1.10 -0.02 0.00 -0.52 0.00 0.00 37.83 36.09 1crb s LYS 40 CO 0.37 -0.34 0.06 -2.00 -0.92 0.00 0.00 175.35 172.52 1crb s GLU 41 N 1.97 3.52 -0.14 1.68 2.12 -0.19 -0.26 118.70 127.40 1crb s GLU 41 Ca 0.04 -0.56 0.01 0.00 0.36 0.00 0.00 54.97 54.82 1crb s GLU 41 Cb -0.13 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 30.95 1crb s GLU 41 CO -0.06 -0.24 -0.18 0.42 -0.54 0.00 0.00 175.26 174.66 1crb s ILE 42 N 1.58 2.45 -0.30 -3.70 1.01 -0.62 -0.78 121.20 120.84 1crb s ILE 42 Ca 0.06 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.84 1crb s ILE 42 Cb -0.15 -2.01 0.05 0.00 0.01 0.00 0.00 42.46 40.35 1crb s ILE 42 CO 0.03 0.53 -0.00 -0.69 0.00 0.00 0.00 174.94 174.81 1crb s VAL 43 N 0.74 3.02 -0.25 2.92 1.01 0.07 -2.25 120.40 125.65 1crb s VAL 43 Ca -0.08 -1.33 -0.05 0.00 0.00 0.00 0.00 61.98 60.52 1crb s VAL 43 Cb -0.16 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1crb s VAL 43 CO 0.01 -0.08 0.01 -1.58 0.00 0.00 0.00 175.10 173.46 1crb s GLN 44 N 1.27 3.22 -0.34 2.72 0.74 -1.26 -1.11 119.66 124.89 1crb s GLN 44 Ca -0.05 -0.74 -0.00 0.00 0.05 0.00 0.00 55.36 54.62 1crb s GLN 44 Cb -0.19 -3.17 0.11 0.00 1.10 0.00 0.00 33.01 30.86 1crb s GLN 44 CO -0.01 -0.31 0.14 0.34 -0.55 0.00 0.00 175.29 174.90 1crb s ASP 45 N 1.48 3.82 1.56 6.67 2.15 -0.22 -4.89 116.67 127.23 1crb s ASP 45 Ca 0.04 -1.89 0.00 0.00 0.43 0.00 0.00 52.55 51.12 1crb s ASP 45 Cb -0.16 -0.83 0.00 0.00 -0.30 0.00 0.00 42.92 41.63 1crb s ASP 45 CO -0.01 -0.37 0.00 0.61 -0.17 0.00 0.00 175.17 175.23 1crb n GLY 46 N 4.50 2.62 0.94 2.66 0.00 -1.26 -1.52 105.19 113.13 1crb n GLY 46 Ca 0.01 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.88 1crb n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1crb n ASP 47 N 7.04 2.87 -4.71 1.61 5.68 -1.26 -4.88 116.55 122.90 1crb n ASP 47 Ca 0.00 -1.91 -0.39 0.00 -0.50 0.00 0.00 54.79 51.99 1crb n ASP 47 Cb 0.00 -0.11 -0.06 0.00 -1.14 0.00 0.00 41.12 39.81 1crb n ASP 47 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1crb s HIS 48 N -1.78 3.50 -0.01 2.11 2.46 -0.58 -0.66 115.29 120.33 1crb s HIS 48 Ca 0.34 0.96 0.02 0.00 0.47 0.00 0.00 55.06 56.85 1crb s HIS 48 Cb 0.21 -2.64 0.00 0.00 -0.13 0.00 0.00 32.58 30.02 1crb s HIS 48 CO 0.31 0.09 -0.06 1.41 -2.47 0.00 0.00 174.74 174.02 1crb s MET 49 N 0.89 0.58 -0.13 2.88 1.75 0.28 -1.06 119.30 124.49 1crb s MET 49 Ca 0.29 -0.19 0.02 0.00 -1.25 0.00 0.00 55.69 54.55 1crb s MET 49 Cb -0.16 -0.57 0.02 0.00 2.84 0.00 0.00 34.83 36.95 1crb s MET 49 CO 0.12 0.08 -0.18 0.42 -0.65 0.00 0.00 175.02 174.82 1crb s ILE 50 N 0.11 1.75 -0.18 10.11 1.01 -0.27 -1.19 121.20 132.53 1crb s ILE 50 Ca -0.01 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.87 1crb s ILE 50 Cb -0.05 -1.58 0.03 0.00 0.01 0.00 0.00 42.46 40.86 1crb s ILE 50 CO -0.00 0.49 -0.15 -0.63 0.00 0.00 0.00 174.94 174.65 1crb s ILE 51 N 1.06 1.82 -0.28 2.92 1.01 0.15 -0.75 121.20 127.14 1crb s ILE 51 Ca -0.03 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.66 1crb s ILE 51 Cb -0.14 -1.75 0.03 0.00 0.01 0.00 0.00 42.46 40.60 1crb s ILE 51 CO -0.05 0.38 0.00 -0.13 0.00 0.00 0.00 174.94 175.14 1crb s ARG 52 N 1.36 2.84 -0.48 2.79 0.52 0.04 -0.88 118.95 125.13 1crb s ARG 52 Ca 0.02 -1.00 -0.19 0.00 -0.52 0.00 0.00 55.73 54.04 1crb s ARG 52 Cb -0.14 -3.16 0.04 0.00 0.52 0.00 0.00 34.95 32.21 1crb s ARG 52 CO -0.10 -0.46 0.60 0.99 0.02 0.00 0.00 175.30 176.35 1crb s THR 53 N 1.37 4.89 -0.12 0.02 2.01 -0.37 -1.02 115.64 122.42 1crb s THR 53 Ca -0.00 -0.33 -0.06 0.00 0.31 0.00 0.00 61.69 61.61 1crb s THR 53 Cb -0.17 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 1crb s THR 53 CO -0.01 -0.70 0.12 -0.76 -0.69 0.00 0.00 174.62 172.57 1crb s LEU 54 N 2.61 4.26 -0.22 4.42 1.43 0.21 -1.69 118.68 129.70 1crb s LEU 54 Ca 0.16 0.41 -0.27 0.00 -1.03 0.00 0.00 54.13 53.40 1crb s LEU 54 Cb -0.18 -2.03 0.11 0.00 0.03 0.00 0.00 46.19 44.12 1crb s LEU 54 CO 0.14 0.40 0.94 -0.55 0.23 0.00 0.00 176.35 177.50 1crb s SER 55 N -0.95 -0.49 0.41 2.29 0.15 -1.23 -1.21 113.70 112.67 1crb s SER 55 Ca 0.14 0.81 0.20 0.00 0.70 0.00 0.00 55.95 57.80 1crb s SER 55 Cb -0.12 0.77 0.85 0.00 -1.71 0.00 0.00 66.02 65.81 1crb s SER 55 CO 0.04 -0.27 1.81 0.71 1.20 0.00 0.00 173.24 176.73 1crb h THR 56 N 3.30 0.82 -0.10 6.45 1.35 -2.00 -2.94 112.91 119.79 1crb h THR 56 Ca -0.25 -1.27 -0.02 0.00 -0.55 0.00 0.00 66.41 64.32 1crb h THR 56 Cb 1.17 1.78 -0.00 0.00 -1.73 0.00 0.00 68.15 69.36 1crb h THR 56 CO 0.19 0.30 -0.02 0.15 -0.25 0.00 0.00 175.52 175.89 1crb h PHE 57 N 0.00 0.21 -1.50 4.73 3.57 -2.03 -3.47 116.94 118.46 1crb h PHE 57 Ca -0.00 -0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.54 1crb h PHE 57 Cb 0.75 -0.05 -0.26 0.00 2.79 0.00 0.00 35.95 39.18 1crb h PHE 57 CO 0.00 0.49 0.56 0.50 -2.23 0.00 0.00 178.31 177.62 1crb s ARG 58 N -4.79 0.46 0.38 1.11 3.52 -1.11 -5.18 118.95 113.34 1crb s ARG 58 Ca -0.15 0.36 0.08 0.00 -0.13 0.00 0.00 55.73 55.90 1crb s ARG 58 Cb 0.05 0.22 -0.05 0.00 -1.56 0.00 0.00 34.95 33.61 1crb s ARG 58 CO 0.71 -0.09 0.17 -0.80 -0.81 0.00 0.00 175.30 174.47 1crb s ASN 59 N -0.29 4.56 -0.16 -2.12 0.01 -1.25 -3.48 114.94 112.21 1crb s ASN 59 Ca 0.02 -0.92 -0.05 0.00 -0.71 0.00 0.00 52.86 51.20 1crb s ASN 59 Cb -0.03 -0.59 0.08 0.00 0.41 0.00 0.00 41.25 41.11 1crb s ASN 59 CO -0.05 -0.43 0.31 -0.47 -1.51 0.00 0.00 177.10 174.95 1crb s TYR 60 N -2.51 -0.53 -0.06 2.20 5.04 -0.68 -4.96 117.35 115.85 1crb s TYR 60 Ca 0.40 1.07 0.02 0.00 -2.44 0.00 0.00 57.07 56.12 1crb s TYR 60 Cb 0.00 0.04 -0.03 0.00 0.35 0.00 0.00 41.96 42.32 1crb s TYR 60 CO 0.23 -0.42 -0.11 0.42 -1.34 0.00 0.00 175.55 174.33 1crb s ILE 61 N 2.47 3.30 -0.06 3.14 -1.09 -1.26 -1.24 121.20 126.47 1crb s ILE 61 Ca 0.01 -0.63 0.04 0.00 -2.23 0.00 0.00 60.65 57.85 1crb s ILE 61 Cb -0.12 -2.32 -0.00 0.00 -1.58 0.00 0.00 42.46 38.44 1crb s ILE 61 CO -0.10 0.59 -0.19 -0.04 -1.23 0.00 0.00 174.94 173.97 1crb s MET 62 N -0.73 2.08 -0.20 2.79 -1.94 -0.06 -5.01 119.30 116.23 1crb s MET 62 Ca 0.11 -0.67 -0.04 0.00 -1.71 0.00 0.00 55.69 53.38 1crb s MET 62 Cb -0.11 -1.74 0.08 0.00 2.01 0.00 0.00 34.83 35.07 1crb s MET 62 CO 0.01 0.23 0.15 0.34 -0.01 0.00 0.00 175.02 175.74 1crb s ASP 63 N 0.14 2.13 0.32 3.03 -1.08 -1.26 -0.67 116.67 119.27 1crb s ASP 63 Ca -0.08 -0.57 -0.06 0.00 -0.52 0.00 0.00 52.55 51.32 1crb s ASP 63 Cb -0.13 -0.01 0.00 0.00 -1.46 0.00 0.00 42.92 41.32 1crb s ASP 63 CO 0.04 -0.36 0.49 0.72 0.52 0.00 0.00 175.17 176.58 1crb s PHE 64 N 2.21 0.80 -0.16 -5.34 -0.12 -0.34 -5.02 117.98 110.02 1crb s PHE 64 Ca 0.05 -1.11 0.00 0.00 -0.05 0.00 0.00 56.93 55.83 1crb s PHE 64 Cb -0.16 0.05 -0.00 0.00 -0.63 0.00 0.00 43.02 42.28 1crb s PHE 64 CO -0.15 -1.11 -0.15 -0.65 -0.05 0.00 0.00 175.22 173.11 1crb s GLN 65 N -3.29 3.22 0.21 1.99 -0.21 -1.26 -0.56 119.66 119.75 1crb s GLN 65 Ca 0.27 -0.75 -0.32 0.00 0.02 0.00 0.00 55.36 54.58 1crb s GLN 65 Cb -0.01 -2.63 -0.13 0.00 1.00 0.00 0.00 33.01 31.25 1crb s GLN 65 CO 0.16 0.01 1.60 0.28 -2.12 0.00 0.00 175.29 175.22 1crb n VAL 66 N 4.07 0.29 0.00 1.09 0.31 0.17 -1.80 118.33 122.46 1crb n VAL 66 Ca -0.19 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1crb n VAL 66 Cb 0.52 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 1crb n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1crb n GLY 67 N 3.21 2.51 3.50 2.92 0.00 0.77 -5.00 105.19 113.09 1crb n GLY 67 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 1crb n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1crb s LYS 68 N -0.52 3.77 0.29 1.61 -0.14 -0.74 -4.93 119.74 119.07 1crb s LYS 68 Ca 0.00 -0.42 -0.29 0.00 -1.36 0.00 0.00 55.97 53.90 1crb s LYS 68 Cb 0.00 -3.44 -0.10 0.00 -1.68 0.00 0.00 37.83 32.61 1crb s LYS 68 CO 0.00 -0.17 1.39 -2.00 -0.76 0.00 0.00 175.35 173.80 1crb s GLU 69 N 1.63 4.29 0.07 1.68 2.12 -1.26 -4.65 118.70 122.58 1crb s GLU 69 Ca 0.06 2.28 -0.01 0.00 0.36 0.00 0.00 54.97 57.67 1crb s GLU 69 Cb -0.15 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 1crb s GLU 69 CO 0.06 -0.33 -0.01 -0.59 -0.54 0.00 0.00 175.26 173.84 1crb s PHE 70 N -0.55 0.60 -0.59 5.30 -0.71 0.38 -4.95 117.98 117.46 1crb s PHE 70 Ca 0.54 -1.10 -0.23 0.00 -1.04 0.00 0.00 56.93 55.11 1crb s PHE 70 Cb -0.41 -0.41 0.06 0.00 -1.21 0.00 0.00 43.02 41.04 1crb s PHE 70 CO 0.49 -0.40 0.90 -1.21 -1.34 0.00 0.00 175.22 173.66 1crb s GLU 71 N -3.94 3.21 -0.32 1.99 2.02 -1.26 -0.52 118.70 119.87 1crb s GLU 71 Ca 0.11 -0.59 -0.25 0.00 0.02 0.00 0.00 54.97 54.26 1crb s GLU 71 Cb 0.08 -4.13 0.01 0.00 0.10 0.00 0.00 34.13 30.18 1crb s GLU 71 CO -0.07 -1.58 0.87 -2.00 0.02 0.00 0.00 175.26 172.50 1crb s GLU 72 N 3.80 3.96 -0.52 1.61 2.12 0.48 -4.91 118.70 125.24 1crb s GLU 72 Ca 0.25 0.69 -0.20 0.00 0.36 0.00 0.00 54.97 56.07 1crb s GLU 72 Cb -0.15 -3.74 0.06 0.00 0.26 0.00 0.00 34.13 30.55 1crb s GLU 72 CO 0.14 -0.77 0.67 0.34 -0.54 0.00 0.00 175.26 175.11 1crb s ASP 73 N 1.66 6.23 -0.21 -1.70 2.15 -1.26 -1.93 116.67 121.62 1crb s ASP 73 Ca 0.36 -0.89 0.01 0.00 0.43 0.00 0.00 52.55 52.46 1crb s ASP 73 Cb -0.13 -2.31 0.22 0.00 -0.30 0.00 0.00 42.92 40.40 1crb s ASP 73 CO 0.14 -0.96 1.63 0.18 -0.17 0.00 0.00 175.17 175.99 1crb n LEU 74 N 6.36 5.19 -4.70 -1.34 4.77 0.02 -4.93 117.00 122.38 1crb n LEU 74 Ca -0.06 -2.65 -0.42 0.00 -0.03 0.00 0.00 56.01 52.85 1crb n LEU 74 Cb 0.45 -0.82 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 1crb n LEU 74 CO 0.56 0.91 1.35 -0.89 -1.33 0.00 0.00 177.39 177.98 1crb s THR 75 N -1.50 2.77 0.00 -5.08 2.01 -1.26 -1.70 115.64 110.87 1crb s THR 75 Ca 0.23 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.57 1crb s THR 75 Cb 0.19 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.48 1crb s THR 75 CO 0.02 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 1crb n GLY 76 N 4.01 1.19 0.02 4.40 0.00 -1.26 -4.87 105.19 108.68 1crb n GLY 76 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1crb n GLY 76 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1crb n ILE 77 N -0.07 0.00 -0.55 -0.61 5.41 -0.69 -4.90 119.36 117.95 1crb n ILE 77 Ca 0.00 0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.97 1crb n ILE 77 Cb 0.00 -1.21 0.00 0.00 -0.71 0.00 0.00 39.64 37.72 1crb n ILE 77 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1crb n ASP 78 N -1.95 0.80 -3.00 4.38 5.75 -1.15 -4.88 116.55 116.51 1crb n ASP 78 Ca 0.00 -1.35 -0.22 0.00 -0.01 0.00 0.00 54.79 53.21 1crb n ASP 78 Cb 0.00 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.11 1crb n ASP 78 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1crb n ASP 79 N -0.18 -5.35 -4.91 -1.12 8.00 -0.80 -4.98 116.55 107.22 1crb n ASP 79 Ca 0.00 -0.25 -0.20 0.00 0.71 0.00 0.00 54.79 55.05 1crb n ASP 79 Cb 0.33 -4.37 -0.02 0.00 -0.02 0.00 0.00 41.12 37.04 1crb n ASP 79 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1crb s ARG 80 N -5.66 2.91 -0.07 -1.24 0.52 -1.26 -4.79 118.95 109.36 1crb s ARG 80 Ca 0.27 -1.16 0.03 0.00 -0.52 0.00 0.00 55.73 54.36 1crb s ARG 80 Cb -0.13 -2.62 -0.02 0.00 0.52 0.00 0.00 34.95 32.70 1crb s ARG 80 CO 0.34 0.11 -0.16 0.15 0.02 0.00 0.00 175.30 175.77 1crb s LYS 81 N -4.05 2.71 0.06 3.54 1.02 -1.26 -0.80 119.74 120.96 1crb s LYS 81 Ca 0.42 -0.72 0.01 0.00 0.02 0.00 0.00 55.97 55.69 1crb s LYS 81 Cb -0.07 -2.41 -0.03 0.00 -0.52 0.00 0.00 37.83 34.80 1crb s LYS 81 CO 0.28 0.49 -0.06 0.00 -0.92 0.00 0.00 175.35 175.15 1crb s MET 83 N -2.78 3.03 -0.02 0.00 -1.94 0.05 -0.39 119.30 117.25 1crb s MET 83 Ca -0.00 -1.24 -0.00 0.00 -1.71 0.00 0.00 55.69 52.73 1crb s MET 83 Cb -0.01 -4.15 -0.04 0.00 2.01 0.00 0.00 34.83 32.64 1crb s MET 83 CO -0.04 -1.15 0.03 0.99 -0.01 0.00 0.00 175.02 174.84 1crb s THR 84 N 2.01 4.40 -0.03 2.05 2.01 0.32 -1.49 115.64 124.90 1crb s THR 84 Ca 0.08 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.63 1crb s THR 84 Cb -0.23 -2.96 0.03 0.00 0.01 0.00 0.00 72.50 69.35 1crb s THR 84 CO 0.08 0.42 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.53 1crb s THR 85 N -1.08 0.25 -0.15 -0.82 2.01 -0.97 -0.47 115.64 114.40 1crb s THR 85 Ca 0.19 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.25 1crb s THR 85 Cb -0.12 -0.33 0.00 0.00 0.01 0.00 0.00 72.50 72.06 1crb s THR 85 CO 0.10 0.16 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.33 1crb s VAL 86 N 1.04 2.50 0.19 3.82 1.01 -1.26 -1.60 120.40 126.10 1crb s VAL 86 Ca -0.09 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1crb s VAL 86 Cb -0.14 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 1crb s VAL 86 CO -0.01 0.52 0.01 -0.44 0.00 0.00 0.00 175.10 175.18 1crb s SER 87 N 0.87 1.29 0.03 3.32 0.01 0.68 -0.17 113.70 119.73 1crb s SER 87 Ca -0.05 -1.20 -0.22 0.00 1.31 0.00 0.00 55.95 55.80 1crb s SER 87 Cb -0.15 0.11 -0.06 0.00 0.21 0.00 0.00 66.02 66.13 1crb s SER 87 CO -0.01 -0.57 0.65 0.26 0.41 0.00 0.00 173.24 173.97 1crb s TRP 88 N -3.64 3.73 -0.55 2.43 0.52 -1.26 -0.28 118.94 119.90 1crb s TRP 88 Ca 0.26 1.31 0.05 0.00 0.02 0.00 0.00 56.10 57.74 1crb s TRP 88 Cb 0.06 -2.65 0.19 0.00 -1.15 0.00 0.00 33.47 29.92 1crb s TRP 88 CO 0.05 0.39 0.49 -3.47 0.02 0.00 0.00 176.95 174.43 1crb n ASP 89 N 2.49 1.49 0.00 2.95 2.03 0.27 -4.89 116.55 120.88 1crb n ASP 89 Ca -0.06 -2.88 0.00 0.00 0.52 0.00 0.00 54.79 52.37 1crb n ASP 89 Cb 0.51 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 1crb n ASP 89 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1crb n GLY 90 N 2.00 2.54 1.03 0.27 0.00 -1.26 -1.97 105.19 107.80 1crb n GLY 90 Ca 0.25 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 46.03 1crb n GLY 90 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1crb n ASP 91 N 8.76 3.06 -4.92 1.61 8.00 -1.26 -1.23 116.55 130.58 1crb n ASP 91 Ca 0.00 -1.94 -0.30 0.00 0.71 0.00 0.00 54.79 53.26 1crb n ASP 91 Cb 0.00 -0.24 -0.04 0.00 -0.02 0.00 0.00 41.12 40.82 1crb n ASP 91 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1crb s LYS 92 N -1.52 3.41 -0.31 -1.24 1.02 -0.83 -4.57 119.74 115.70 1crb s LYS 92 Ca 0.38 -0.49 -0.06 0.00 0.02 0.00 0.00 55.97 55.82 1crb s LYS 92 Cb 0.21 -3.01 0.03 0.00 -0.52 0.00 0.00 37.83 34.54 1crb s LYS 92 CO 0.30 0.59 0.07 -1.17 -0.92 0.00 0.00 175.35 174.22 1crb s LEU 93 N -2.64 4.00 -0.08 3.17 2.96 0.53 -0.56 118.68 126.05 1crb s LEU 93 Ca 0.35 -0.95 -0.07 0.00 -0.22 0.00 0.00 54.13 53.23 1crb s LEU 93 Cb -0.13 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1crb s LEU 93 CO 0.28 -0.25 0.19 -1.10 -1.32 0.00 0.00 176.35 174.14 1crb s GLN 94 N 1.43 3.50 -0.04 1.98 -1.52 0.61 -1.36 119.66 124.26 1crb s GLN 94 Ca -0.00 -0.10 0.00 0.00 -1.95 0.00 0.00 55.36 53.31 1crb s GLN 94 Cb -0.18 -3.17 0.03 0.00 -0.22 0.00 0.00 33.01 29.47 1crb s GLN 94 CO 0.02 0.74 -0.00 0.00 -0.25 0.00 0.00 175.29 175.79 1crb s VAL 96 N 1.23 2.31 -0.49 0.00 0.11 -0.63 -1.37 120.40 121.57 1crb s VAL 96 Ca -0.07 -0.87 -0.10 0.00 -2.93 0.00 0.00 61.98 58.01 1crb s VAL 96 Cb -0.13 -1.97 0.12 0.00 -1.53 0.00 0.00 36.38 32.87 1crb s VAL 96 CO -0.02 0.53 0.38 -1.10 -3.33 0.00 0.00 175.10 171.55 1crb s GLN 97 N 1.09 2.57 -0.07 1.54 -0.21 -0.12 -2.30 119.66 122.16 1crb s GLN 97 Ca -0.00 -1.79 -0.29 0.00 0.02 0.00 0.00 55.36 53.30 1crb s GLN 97 Cb -0.14 -3.98 -0.02 0.00 1.00 0.00 0.00 33.01 29.86 1crb s GLN 97 CO -0.07 -1.22 0.95 0.15 -2.12 0.00 0.00 175.29 172.99 1crb s LYS 98 N 1.33 4.46 0.00 2.91 1.02 -0.56 -4.44 119.74 124.47 1crb s LYS 98 Ca 0.06 1.31 0.00 0.00 0.02 0.00 0.00 55.97 57.36 1crb s LYS 98 Cb -0.26 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 33.54 1crb s LYS 98 CO -0.01 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.66 1crb n GLY 99 N 3.06 1.14 0.23 -3.33 0.00 -1.26 -0.77 105.19 104.27 1crb n GLY 99 Ca 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.73 1crb n GLY 99 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1crb h GLU 100 N 0.00 0.37 -6.68 1.61 3.07 -1.92 -3.44 114.58 107.59 1crb h GLU 100 Ca 0.00 -0.12 -0.50 0.00 -0.50 0.00 0.00 59.36 58.24 1crb h GLU 100 Cb 0.00 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.85 1crb h GLU 100 CO 0.00 0.58 0.24 0.15 -1.40 0.00 0.00 179.01 178.57 1crb s LYS 101 N -4.54 4.53 0.36 2.33 -0.14 -1.26 -5.06 119.74 115.95 1crb s LYS 101 Ca -0.06 1.18 -0.21 0.00 -1.36 0.00 0.00 55.97 55.51 1crb s LYS 101 Cb 0.14 -3.01 -0.10 0.00 -1.68 0.00 0.00 37.83 33.18 1crb s LYS 101 CO 0.77 0.42 0.89 -1.21 -0.76 0.00 0.00 175.35 175.46 1crb s GLU 102 N -1.66 4.30 -1.45 1.68 0.41 -1.26 -4.22 118.70 116.49 1crb s GLU 102 Ca 0.43 1.08 -0.14 0.00 -0.41 0.00 0.00 54.97 55.94 1crb s GLU 102 Cb -0.20 -2.47 0.11 0.00 -1.78 0.00 0.00 34.13 29.79 1crb s GLU 102 CO 0.25 0.13 0.63 0.41 -0.49 0.00 0.00 175.26 176.20 1crb n GLY 103 N -0.11 -0.47 3.67 -1.39 0.00 -1.26 0.62 105.19 106.25 1crb n GLY 103 Ca 0.04 0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1crb n GLY 103 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1crb s ARG 104 N -6.44 4.25 0.00 1.61 3.52 -1.26 -2.84 118.95 117.79 1crb s ARG 104 Ca 0.57 0.74 0.00 0.00 -0.13 0.00 0.00 55.73 56.91 1crb s ARG 104 Cb -0.31 -3.57 0.00 0.00 -1.56 0.00 0.00 34.95 29.52 1crb s ARG 104 CO 0.70 -0.25 0.00 0.41 -0.81 0.00 0.00 175.30 175.35 1crb n GLY 105 N 3.66 -1.61 3.49 8.12 0.00 -0.74 -0.94 105.19 117.17 1crb n GLY 105 Ca 0.00 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 1crb n GLY 105 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1crb s TRP 106 N -2.45 -0.07 -0.01 1.61 1.48 -0.47 -0.56 118.94 118.46 1crb s TRP 106 Ca 0.00 -0.27 0.02 0.00 -1.06 0.00 0.00 56.10 54.79 1crb s TRP 106 Cb 0.00 0.34 0.00 0.00 -1.16 0.00 0.00 33.47 32.65 1crb s TRP 106 CO 0.00 -0.88 -0.05 0.99 -4.06 0.00 0.00 176.95 172.95 1crb s THR 107 N -3.88 0.43 -0.01 0.66 2.01 -0.16 -1.01 115.64 113.68 1crb s THR 107 Ca 0.10 -0.20 0.03 0.00 0.31 0.00 0.00 61.69 61.92 1crb s THR 107 Cb -0.00 -0.39 -0.00 0.00 0.01 0.00 0.00 72.50 72.11 1crb s THR 107 CO -0.03 0.14 -0.08 -1.58 -0.69 0.00 0.00 174.62 172.37 1crb s GLN 108 N 0.09 0.73 0.26 4.92 0.74 -0.47 -0.81 119.66 125.13 1crb s GLN 108 Ca -0.01 -0.30 -0.17 0.00 0.05 0.00 0.00 55.36 54.93 1crb s GLN 108 Cb -0.05 -0.70 0.01 0.00 1.10 0.00 0.00 33.01 33.37 1crb s GLN 108 CO -0.00 0.16 0.60 1.67 -0.55 0.00 0.00 175.29 177.17 1crb s TRP 109 N -0.11 0.05 -0.05 1.67 -2.14 -0.32 -0.35 118.94 117.70 1crb s TRP 109 Ca 0.02 -0.46 0.04 0.00 2.66 0.00 0.00 56.10 58.36 1crb s TRP 109 Cb -0.04 0.46 -0.02 0.00 -3.10 0.00 0.00 33.47 30.77 1crb s TRP 109 CO -0.00 -1.11 -0.17 0.42 -2.66 0.00 0.00 176.95 173.43 1crb s ILE 110 N -3.96 2.83 -0.30 0.66 1.01 -1.26 -0.48 121.20 119.70 1crb s ILE 110 Ca 0.16 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 1crb s ILE 110 Cb -0.03 -2.09 0.10 0.00 0.01 0.00 0.00 42.46 40.44 1crb s ILE 110 CO 0.07 0.59 0.10 -1.61 0.00 0.00 0.00 174.94 174.08 1crb s GLU 111 N -0.63 0.65 7.83 2.79 2.02 -0.39 -4.99 118.70 125.98 1crb s GLU 111 Ca 0.09 -0.97 0.00 0.00 0.02 0.00 0.00 54.97 54.11 1crb s GLU 111 Cb -0.11 -1.90 0.00 0.00 0.10 0.00 0.00 34.13 32.22 1crb s GLU 111 CO 0.01 -0.97 0.00 0.41 0.02 0.00 0.00 175.26 174.73 1crb n GLY 112 N 4.91 3.24 1.60 -1.39 0.00 -1.26 -1.47 105.19 110.82 1crb n GLY 112 Ca -0.03 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.84 1crb n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1crb n ASP 113 N 8.37 4.54 -4.44 1.61 5.75 -1.26 -4.95 116.55 126.16 1crb n ASP 113 Ca 0.00 -3.17 -0.33 0.00 -0.01 0.00 0.00 54.79 51.28 1crb n ASP 113 Cb 0.00 -0.67 -0.14 0.00 -1.03 0.00 0.00 41.12 39.28 1crb n ASP 113 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1crb s GLU 114 N -2.94 2.53 -0.26 0.11 2.02 -0.54 -0.80 118.70 118.82 1crb s GLU 114 Ca 0.51 -0.73 -0.11 0.00 0.02 0.00 0.00 54.97 54.66 1crb s GLU 114 Cb 0.41 -2.35 -0.05 0.00 0.10 0.00 0.00 34.13 32.23 1crb s GLU 114 CO 0.11 0.58 0.18 -1.17 0.02 0.00 0.00 175.26 174.98 1crb s LEU 115 N -0.62 4.07 -0.16 1.80 2.96 0.08 -1.26 118.68 125.55 1crb s LEU 115 Ca 0.09 0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 54.02 1crb s LEU 115 Cb -0.11 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 1crb s LEU 115 CO 0.01 0.01 -0.00 -1.00 -1.32 0.00 0.00 176.35 174.04 1crb s HIS 116 N 1.38 3.10 -0.04 5.38 3.76 0.37 -0.73 115.29 128.51 1crb s HIS 116 Ca 0.08 -0.17 0.00 0.00 -0.15 0.00 0.00 55.06 54.82 1crb s HIS 116 Cb -0.15 -2.00 0.03 0.00 1.11 0.00 0.00 32.58 31.57 1crb s HIS 116 CO 0.07 0.04 -0.01 -1.17 -0.85 0.00 0.00 174.74 172.82 1crb s LEU 117 N 0.34 1.03 -0.15 0.89 2.96 -0.48 -1.17 118.68 122.11 1crb s LEU 117 Ca -0.02 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1crb s LEU 117 Cb -0.14 -0.31 0.01 0.00 0.50 0.00 0.00 46.19 46.25 1crb s LEU 117 CO 0.02 -0.12 -0.20 -1.61 -1.32 0.00 0.00 176.35 173.12 1crb s GLU 118 N 1.25 3.07 -0.07 1.98 2.02 0.01 -0.56 118.70 126.40 1crb s GLU 118 Ca -0.06 -0.82 -0.00 0.00 0.02 0.00 0.00 54.97 54.10 1crb s GLU 118 Cb -0.13 -2.49 -0.03 0.00 0.10 0.00 0.00 34.13 31.57 1crb s GLU 118 CO -0.02 -0.01 -0.03 -1.64 0.02 0.00 0.00 175.26 173.57 1crb s MET 119 N 0.83 2.85 0.07 1.61 -1.94 0.44 -0.99 119.30 122.17 1crb s MET 119 Ca -0.06 -0.49 0.04 0.00 -1.71 0.00 0.00 55.69 53.47 1crb s MET 119 Cb -0.15 -2.68 -0.03 0.00 2.01 0.00 0.00 34.83 33.97 1crb s MET 119 CO -0.02 0.68 -0.11 1.03 -0.01 0.00 0.00 175.02 176.60 1crb s ARG 120 N -0.87 0.71 -0.29 2.03 0.52 0.27 -0.44 118.95 120.89 1crb s ARG 120 Ca 0.13 -0.93 -0.16 0.00 -0.52 0.00 0.00 55.73 54.25 1crb s ARG 120 Cb -0.11 -0.55 0.18 0.00 0.52 0.00 0.00 34.95 34.99 1crb s ARG 120 CO 0.02 0.11 1.12 0.00 0.02 0.00 0.00 175.30 176.57 1crb s ALA 121 N -1.60 -2.53 -1.46 2.13 0.00 -0.90 -1.79 121.76 115.60 1crb s ALA 121 Ca -0.03 2.07 -0.06 0.00 0.00 0.00 0.00 51.96 53.95 1crb s ALA 121 Cb -0.08 -1.89 0.03 0.00 0.00 0.00 0.00 23.12 21.18 1crb s ALA 121 CO 0.01 -0.40 0.51 0.39 0.00 0.00 0.00 175.76 176.27 1crb n GLU 122 N 3.55 -4.17 -0.76 0.00 -0.58 0.20 -1.41 120.64 117.48 1crb n GLU 122 Ca -0.17 0.77 0.00 0.00 -0.42 0.00 0.00 57.16 57.34 1crb n GLU 122 Cb 0.57 -5.56 0.00 0.00 -0.57 0.00 0.00 31.44 25.87 1crb n GLU 122 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1crb n GLY 123 N -1.36 1.27 3.86 0.62 0.00 -1.26 -5.03 105.19 103.29 1crb n GLY 123 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1crb n GLY 123 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1crb s VAL 124 N -3.68 5.12 -0.09 1.61 1.01 -0.50 -5.10 120.40 118.77 1crb s VAL 124 Ca 0.00 0.54 0.03 0.00 0.00 0.00 0.00 61.98 62.55 1crb s VAL 124 Cb 0.00 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1crb s VAL 124 CO 0.00 0.41 -0.18 -0.89 0.00 0.00 0.00 175.10 174.44 1crb s THR 125 N -1.26 1.63 -0.06 3.92 2.01 -1.26 -2.12 115.64 118.49 1crb s THR 125 Ca 0.28 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.56 1crb s THR 125 Cb -0.15 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 1crb s THR 125 CO 0.15 0.46 -0.17 0.00 -0.69 0.00 0.00 174.62 174.38 1crb s LYS 127 N -0.39 2.82 0.05 0.00 1.02 -0.50 -0.42 119.74 122.32 1crb s LYS 127 Ca 0.04 -0.84 0.04 0.00 0.02 0.00 0.00 55.97 55.24 1crb s LYS 127 Cb -0.12 -2.18 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 1crb s LYS 127 CO 0.02 0.20 -0.13 -0.65 -0.92 0.00 0.00 175.35 173.87 1crb s GLN 128 N 0.28 0.77 -0.02 1.68 -0.21 0.28 -0.12 119.66 122.32 1crb s GLN 128 Ca -0.16 -0.84 0.03 0.00 0.02 0.00 0.00 55.36 54.41 1crb s GLN 128 Cb -0.17 -0.73 -0.00 0.00 1.00 0.00 0.00 33.01 33.11 1crb s GLN 128 CO 0.08 0.17 -0.10 0.08 -2.12 0.00 0.00 175.29 173.39 1crb s VAL 129 N -1.14 0.82 0.14 1.09 1.01 -0.64 -1.38 120.40 120.30 1crb s VAL 129 Ca -0.03 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.63 1crb s VAL 129 Cb -0.09 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1crb s VAL 129 CO 0.02 0.25 -0.18 -0.36 0.00 0.00 0.00 175.10 174.82 1crb s PHE 130 N 0.05 1.74 -0.10 5.22 0.40 0.09 -0.22 117.98 125.16 1crb s PHE 130 Ca -0.01 -0.47 0.02 0.00 -0.60 0.00 0.00 56.93 55.87 1crb s PHE 130 Cb -0.07 -0.89 -0.02 0.00 0.51 0.00 0.00 43.02 42.55 1crb s PHE 130 CO 0.00 0.27 -0.15 0.21 0.70 0.00 0.00 175.22 176.25 1crb s LYS 131 N -2.54 3.02 -0.22 0.44 2.47 0.32 -0.74 119.74 122.48 1crb s LYS 131 Ca 0.12 -0.72 -0.29 0.00 -1.56 0.00 0.00 55.97 53.52 1crb s LYS 131 Cb -0.07 -2.50 -0.02 0.00 -1.46 0.00 0.00 37.83 33.79 1crb s LYS 131 CO 0.05 0.36 1.42 0.21 0.16 0.00 0.00 175.35 177.55 1crb s LYS 132 N -0.04 3.97 -0.01 4.03 2.20 0.02 -1.48 119.74 128.43 1crb s LYS 132 Ca -0.04 1.55 0.13 0.00 -0.36 0.00 0.00 55.97 57.25 1crb s LYS 132 Cb -0.14 -3.91 -0.17 0.00 -1.51 0.00 0.00 37.83 32.09 1crb s LYS 132 CO 0.04 -1.06 0.38 1.33 -0.36 0.00 0.00 175.35 175.68 1crb n VAL 133 N 6.03 0.00 -1.70 4.02 0.24 -0.21 -4.98 118.33 121.71 1crb n VAL 133 Ca 0.16 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1crb n VAL 133 Cb 0.45 0.53 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 1crb n VAL 133 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26