#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mut n LYS 2 N 0.00 -1.20 0.00 2.12 0.00 -1.25 -4.96 118.16 112.87 1mut n LYS 2 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 58.31 59.69 1mut n LYS 2 Cb 0.00 -4.80 0.00 0.00 0.00 0.00 0.00 35.03 30.23 1mut n LYS 2 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1mut n LYS 3 N -1.33 0.00 -3.20 1.64 4.81 -1.26 -4.89 118.16 113.92 1mut n LYS 3 Ca 0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1mut n LYS 3 Cb 0.47 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.50 1mut n LYS 3 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1mut s LEU 4 N 0.00 -1.37 0.01 3.14 1.98 -1.21 -4.90 118.68 116.32 1mut s LEU 4 Ca 0.00 -0.20 0.03 0.00 -2.89 0.00 0.00 54.13 51.07 1mut s LEU 4 Cb 0.00 1.77 -0.01 0.00 0.66 0.00 0.00 46.19 48.61 1mut s LEU 4 CO 0.00 -0.28 -0.09 -1.10 -1.89 0.00 0.00 176.35 172.99 1mut s GLN 5 N 2.51 0.67 0.07 1.98 -0.21 -1.26 -1.67 119.66 121.76 1mut s GLN 5 Ca 0.11 -0.44 -0.12 0.00 0.02 0.00 0.00 55.36 54.94 1mut s GLN 5 Cb -0.10 -0.62 0.01 0.00 1.00 0.00 0.00 33.01 33.30 1mut s GLN 5 CO -0.22 0.16 0.27 0.42 -2.12 0.00 0.00 175.29 173.80 1mut s ILE 6 N -0.48 0.10 -0.17 1.08 1.01 -1.17 -3.07 121.20 118.51 1mut s ILE 6 Ca 0.01 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 1mut s ILE 6 Cb -0.05 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 1mut s ILE 6 CO 0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 174.94 174.39 1mut s ALA 7 N -3.27 2.80 -0.57 9.38 0.00 -1.26 -3.65 121.76 125.20 1mut s ALA 7 Ca 0.00 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.04 1mut s ALA 7 Cb 0.02 -1.48 0.16 0.00 0.00 0.00 0.00 23.12 21.81 1mut s ALA 7 CO -0.08 0.01 0.37 0.54 0.00 0.00 0.00 175.76 176.61 1mut s VAL 8 N 0.73 2.09 -0.22 0.00 0.11 -0.77 -0.14 120.40 122.20 1mut s VAL 8 Ca -0.03 -3.48 -0.29 0.00 -2.93 0.00 0.00 61.98 55.25 1mut s VAL 8 Cb -0.15 -2.41 -0.01 0.00 -1.53 0.00 0.00 36.38 32.28 1mut s VAL 8 CO 0.02 -0.99 1.35 -0.83 -3.33 0.00 0.00 175.10 171.32 1mut s GLY 9 N -0.62 1.48 0.51 6.54 0.00 -1.26 -3.88 107.32 110.09 1mut s GLY 9 Ca 0.23 0.35 0.05 0.00 0.00 0.00 0.00 44.72 45.36 1mut s GLY 9 CO -0.11 2.63 0.71 -0.42 0.00 0.00 0.00 173.10 175.91 1mut s ILE 10 N 4.10 2.67 0.03 0.90 1.01 -1.26 -4.65 121.20 124.00 1mut s ILE 10 Ca 0.59 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 60.36 1mut s ILE 10 Cb -0.21 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 1mut s ILE 10 CO 0.21 0.00 -0.01 0.27 0.00 0.00 0.00 174.94 175.40 1mut s ILE 11 N -2.60 0.16 -0.48 2.92 -0.00 -1.26 -3.08 121.20 116.85 1mut s ILE 11 Ca 0.58 -1.31 0.06 0.00 -0.00 0.00 0.00 60.65 59.98 1mut s ILE 11 Cb -0.09 -0.87 0.26 0.00 -0.00 0.00 0.00 42.46 41.76 1mut s ILE 11 CO 0.37 -0.72 0.94 -1.14 -0.00 0.00 0.00 174.94 174.38 1mut n ARG 12 N 0.87 0.81 -1.61 0.37 0.63 -1.25 -1.33 116.66 115.15 1mut n ARG 12 Ca -0.19 -1.74 -0.01 0.00 -0.92 0.00 0.00 57.85 54.98 1mut n ARG 12 Cb 0.58 -1.37 0.00 0.00 0.45 0.00 0.00 32.46 32.13 1mut n ARG 12 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1mut n ASN 13 N 1.42 -0.33 0.00 6.15 3.02 -1.02 -4.59 115.26 119.91 1mut n ASN 13 Ca 0.08 -1.21 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 1mut n ASN 13 Cb 0.64 0.54 0.00 0.00 -0.61 0.00 0.00 39.78 40.36 1mut n ASN 13 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1mut n GLU 14 N -0.10 0.00 -0.99 3.52 2.13 -1.26 -4.00 120.64 119.94 1mut n GLU 14 Ca -0.01 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 1mut n GLU 14 Cb 0.09 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.81 1mut n GLU 14 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1mut n ASN 15 N 2.42 0.41 -3.70 4.31 5.15 -1.26 -4.97 115.26 117.61 1mut n ASN 15 Ca 0.00 -1.95 -0.23 0.00 -0.60 0.00 0.00 54.58 51.80 1mut n ASN 15 Cb 0.00 -0.21 0.05 0.00 -0.53 0.00 0.00 39.78 39.09 1mut n ASN 15 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1mut n ASN 16 N 0.23 -3.06 -3.97 1.20 5.15 -1.26 -4.92 115.26 108.64 1mut n ASN 16 Ca 0.01 -0.74 -0.09 0.00 -0.60 0.00 0.00 54.58 53.17 1mut n ASN 16 Cb 0.90 -4.33 -0.11 0.00 -0.53 0.00 0.00 39.78 35.71 1mut n ASN 16 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1mut s GLU 17 N -6.10 0.32 0.13 1.20 2.02 -1.26 -3.77 118.70 111.24 1mut s GLU 17 Ca 0.27 -0.58 -0.01 0.00 0.02 0.00 0.00 54.97 54.66 1mut s GLU 17 Cb -0.13 0.12 -0.04 0.00 0.10 0.00 0.00 34.13 34.17 1mut s GLU 17 CO 0.79 -0.05 0.31 0.42 0.02 0.00 0.00 175.26 176.75 1mut s ILE 18 N -1.43 5.27 -1.15 -1.63 1.09 -0.87 -2.42 121.20 120.06 1mut s ILE 18 Ca -0.16 -0.30 -0.15 0.00 -1.10 0.00 0.00 60.65 58.94 1mut s ILE 18 Cb -0.10 -3.67 0.15 0.00 -1.06 0.00 0.00 42.46 37.79 1mut s ILE 18 CO -0.01 0.01 1.40 0.12 -0.10 0.00 0.00 174.94 176.36 1mut s PHE 19 N -1.67 3.33 0.79 3.97 5.36 -0.44 -2.70 117.98 126.63 1mut s PHE 19 Ca 0.38 -1.90 -0.12 0.00 -0.96 0.00 0.00 56.93 54.33 1mut s PHE 19 Cb -0.12 -4.36 0.07 0.00 -0.34 0.00 0.00 43.02 38.27 1mut s PHE 19 CO 0.27 -1.47 1.13 0.42 -1.46 0.00 0.00 175.22 174.12 1mut s ILE 20 N 2.13 2.67 -0.11 3.12 -1.09 -0.52 -4.53 121.20 122.88 1mut s ILE 20 Ca 0.42 0.22 0.03 0.00 -2.23 0.00 0.00 60.65 59.08 1mut s ILE 20 Cb -0.03 -3.13 0.01 0.00 -1.58 0.00 0.00 42.46 37.73 1mut s ILE 20 CO -0.02 -0.28 -0.21 0.42 -1.23 0.00 0.00 174.94 173.62 1mut s THR 21 N -3.38 1.88 -0.30 2.92 -4.23 -1.26 -0.56 115.64 110.70 1mut s THR 21 Ca 0.61 -0.90 0.01 0.00 -1.18 0.00 0.00 61.69 60.23 1mut s THR 21 Cb -0.12 -1.65 0.19 0.00 1.34 0.00 0.00 72.50 72.26 1mut s THR 21 CO 0.52 0.52 0.61 -0.60 -0.54 0.00 0.00 174.62 175.13 1mut s ARG 22 N 0.56 0.55 -0.52 3.99 3.52 -1.26 -3.24 118.95 122.55 1mut s ARG 22 Ca -0.14 0.85 -0.33 0.00 -0.13 0.00 0.00 55.73 55.97 1mut s ARG 22 Cb -0.17 0.45 -0.13 0.00 -1.56 0.00 0.00 34.95 33.54 1mut s ARG 22 CO 0.05 -0.73 2.34 2.89 -0.81 0.00 0.00 175.30 179.04 1mut n ARG 23 N 5.42 0.76 0.00 5.12 1.85 -1.26 -4.41 116.66 124.14 1mut n ARG 23 Ca 0.01 0.15 0.00 0.00 -1.00 0.00 0.00 57.85 57.01 1mut n ARG 23 Cb 0.52 -2.39 0.00 0.00 -1.05 0.00 0.00 32.46 29.54 1mut n ARG 23 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1mut n ALA 24 N 11.04 0.00 -3.00 2.89 0.00 -1.26 -5.01 120.51 125.17 1mut n ALA 24 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1mut n ALA 24 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1mut n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mut n ALA 25 N 0.05 0.00 -0.78 0.00 0.00 -1.26 -4.97 120.51 113.56 1mut n ALA 25 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1mut n ALA 25 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1mut n ALA 25 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1mut n ASP 26 N 0.00 0.00 -2.11 0.00 9.92 -1.26 -4.95 116.55 118.15 1mut n ASP 26 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.23 1mut n ASP 26 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1mut n ASP 26 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mut n ALA 27 N 11.66 -3.34 -0.06 2.24 0.00 -1.26 -4.96 120.51 124.79 1mut n ALA 27 Ca 0.00 1.36 -0.11 0.00 0.00 0.00 0.00 53.44 54.69 1mut n ALA 27 Cb 0.00 -2.68 -0.05 0.00 0.00 0.00 0.00 19.45 16.72 1mut n ALA 27 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1mut n HIS 28 N 1.01 0.00 -0.12 0.00 8.25 -1.26 -4.47 115.22 118.62 1mut n HIS 28 Ca -0.23 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.10 1mut n HIS 28 Cb 0.36 -0.46 -0.09 0.00 1.12 0.00 0.00 29.99 30.92 1mut n HIS 28 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1mut h MET 29 N -0.20 -0.35 -2.60 -0.41 2.86 -2.04 -3.39 114.93 108.80 1mut h MET 29 Ca -0.29 0.02 -0.28 0.00 -2.06 0.00 0.00 59.70 57.09 1mut h MET 29 Cb 1.36 0.08 -0.35 0.00 0.06 0.00 0.00 31.60 32.75 1mut h MET 29 CO -0.11 -0.24 -0.60 0.00 1.06 0.00 0.00 176.91 177.03 1mut s ALA 30 N -5.47 -0.38 -0.04 6.32 0.00 -1.26 -5.13 121.76 115.81 1mut s ALA 30 Ca -0.13 0.46 -0.30 0.00 0.00 0.00 0.00 51.96 52.00 1mut s ALA 30 Cb 0.08 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 1mut s ALA 30 CO 0.56 -1.04 0.98 -0.80 0.00 0.00 0.00 175.76 175.45 1mut s ASN 31 N 2.36 7.31 -0.01 0.00 -0.87 -1.26 -4.98 114.94 117.48 1mut s ASN 31 Ca 0.06 1.60 0.02 0.00 -1.57 0.00 0.00 52.86 52.96 1mut s ASN 31 Cb -0.15 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.53 1mut s ASN 31 CO -0.11 -0.32 -0.06 -1.59 -2.57 0.00 0.00 177.10 172.45 1mut s LYS 32 N 1.35 0.62 0.00 -0.60 0.00 -1.26 -4.91 119.74 114.94 1mut s LYS 32 Ca 0.50 -0.22 0.00 0.00 0.00 0.00 0.00 55.97 56.26 1mut s LYS 32 Cb -0.20 -0.60 0.00 0.00 0.00 0.00 0.00 37.83 37.03 1mut s LYS 32 CO 0.24 0.10 0.00 1.28 0.00 0.00 0.00 175.35 176.97 1mut n LEU 33 N 3.16 0.00 0.00 2.77 4.77 -0.51 -4.93 117.00 122.26 1mut n LEU 33 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1mut n LEU 33 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1mut n LEU 33 CO 0.25 -0.48 0.00 1.21 -1.33 0.00 0.00 177.39 177.03 1mut n GLU 34 N -0.97 0.00 -3.93 3.23 2.13 -1.20 -4.26 120.64 115.65 1mut n GLU 34 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 1mut n GLU 34 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 1mut n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1mut s PHE 35 N -2.29 0.24 0.00 4.31 0.40 -1.26 -4.31 117.98 115.06 1mut s PHE 35 Ca 0.00 -0.65 0.00 0.00 -0.60 0.00 0.00 56.93 55.68 1mut s PHE 35 Cb 0.00 -0.15 0.00 0.00 0.51 0.00 0.00 43.02 43.38 1mut s PHE 35 CO 0.00 -0.45 0.00 -2.30 0.70 0.00 0.00 175.22 173.17 1mut n PRO 36 N 0.25 2.07 -3.84 0.24 -0.02 -1.26 -4.59 135.00 127.85 1mut n PRO 36 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1mut n PRO 36 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.09 1mut n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mut n GLY 37 N 0.00 -1.10 0.00 -1.23 0.00 -1.09 -4.36 105.19 97.41 1mut n GLY 37 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1mut n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mut n GLY 38 N 0.00 -2.22 0.00 -0.02 0.00 0.80 -4.01 105.19 99.74 1mut n GLY 38 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.73 1mut n GLY 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mut n LYS 39 N 0.00 0.00 -3.89 1.61 4.81 -1.26 -4.82 118.16 114.61 1mut n LYS 39 Ca 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.09 1mut n LYS 39 Cb 0.00 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 34.92 1mut n LYS 39 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1mut s ILE 40 N -0.70 2.94 -0.47 3.15 1.01 -1.18 -4.16 121.20 121.80 1mut s ILE 40 Ca 0.00 -1.72 0.15 0.00 0.00 0.00 0.00 60.65 59.08 1mut s ILE 40 Cb 0.00 -2.85 0.55 0.00 0.01 0.00 0.00 42.46 40.17 1mut s ILE 40 CO 0.00 -0.34 1.46 -1.84 0.00 0.00 0.00 174.94 174.22 1mut n GLU 41 N 4.56 3.27 0.00 2.79 -0.00 -1.26 -4.76 120.64 125.23 1mut n GLU 41 Ca -0.08 -2.73 0.00 0.00 -0.00 0.00 0.00 57.16 54.35 1mut n GLU 41 Cb 0.42 -1.79 0.00 0.00 -0.00 0.00 0.00 31.44 30.08 1mut n GLU 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 1mut n MET 42 N 0.06 0.00 0.00 3.44 0.00 -1.26 -5.03 117.12 114.33 1mut n MET 42 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.91 1mut n MET 42 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.05 1mut n MET 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1mut n GLY 43 N 0.00 1.00 0.00 -5.12 0.00 -1.26 -4.71 105.19 95.11 1mut n GLY 43 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1mut n GLY 43 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mut n GLU 44 N 0.00 0.24 -3.82 1.61 2.13 -1.26 -5.12 120.64 114.42 1mut n GLU 44 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 1mut n GLU 44 Cb 0.00 -0.80 -0.03 0.00 0.27 0.00 0.00 31.44 30.88 1mut n GLU 44 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1mut s THR 45 N -1.60 0.01 0.34 6.31 -1.32 -1.26 -5.03 115.64 113.09 1mut s THR 45 Ca 0.00 -0.95 0.36 0.00 -1.21 0.00 0.00 61.69 59.89 1mut s THR 45 Cb 0.00 -1.85 0.36 0.00 -1.51 0.00 0.00 72.50 69.50 1mut s THR 45 CO 0.00 -0.03 2.11 -0.65 -2.21 0.00 0.00 174.62 173.84 1mut h PRO 46 N 2.11 0.00 0.01 7.08 0.11 -2.00 -3.15 132.00 136.17 1mut h PRO 46 Ca -0.24 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 1mut h PRO 46 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1mut h PRO 46 CO 0.31 0.00 -0.00 0.93 -0.21 0.00 0.00 178.00 179.02 1mut h GLU 47 N 0.00 -0.01 -1.56 1.05 5.08 -1.99 -3.29 114.58 113.86 1mut h GLU 47 Ca 0.00 0.00 0.48 0.00 -1.00 0.00 0.00 59.36 58.84 1mut h GLU 47 Cb 0.01 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.17 1mut h GLU 47 CO 0.00 -0.01 1.08 0.94 -1.00 0.00 0.00 179.01 180.02 1mut n GLN 48 N -3.92 -0.01 0.22 2.33 7.27 -1.19 -0.46 117.38 121.61 1mut n GLN 48 Ca -0.00 1.05 -0.09 0.00 0.07 0.00 0.00 57.00 58.04 1mut n GLN 48 Cb 0.00 -2.26 -0.04 0.00 2.41 0.00 0.00 30.24 30.35 1mut n GLN 48 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1mut h ALA 49 N 1.15 -1.06 0.15 1.69 0.00 -1.62 -3.05 119.26 116.51 1mut h ALA 49 Ca 0.83 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 55.40 1mut h ALA 49 Cb 3.06 0.22 0.02 0.00 0.00 0.00 0.00 17.79 21.09 1mut h ALA 49 CO -0.19 -1.02 -0.97 -0.24 0.00 0.00 0.00 179.25 176.83 1mut h VAL 50 N -0.60 1.42 -1.48 0.00 3.04 -0.95 -3.21 116.25 114.47 1mut h VAL 50 Ca -0.06 -2.54 0.46 0.00 -1.01 0.00 0.00 66.70 63.55 1mut h VAL 50 Cb 0.43 3.12 -0.10 0.00 -2.01 0.00 0.00 31.29 32.73 1mut h VAL 50 CO 0.09 0.73 1.01 1.62 -1.01 0.00 0.00 177.57 180.01 1mut h VAL 51 N -0.31 0.14 -0.00 1.51 3.04 -0.92 1.30 116.25 121.00 1mut h VAL 51 Ca -0.18 -0.02 -0.17 0.00 -1.01 0.00 0.00 66.70 65.32 1mut h VAL 51 Cb 1.72 0.07 0.01 0.00 -2.01 0.00 0.00 31.29 31.08 1mut h VAL 51 CO 0.15 0.01 -0.65 -0.09 -1.01 0.00 0.00 177.57 175.98 1mut h ARG 52 N 0.06 0.45 0.00 4.17 2.43 -1.57 -2.90 114.38 117.01 1mut h ARG 52 Ca 0.81 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1mut h ARG 52 Cb 2.83 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 32.52 1mut h ARG 52 CO -0.25 1.13 0.00 -0.85 -1.51 0.00 0.00 179.97 178.49 1mut n GLU 53 N -4.18 0.15 0.29 0.20 0.28 0.41 -1.46 120.64 116.33 1mut n GLU 53 Ca -0.10 0.17 -0.12 0.00 -0.16 0.00 0.00 57.16 56.95 1mut n GLU 53 Cb 0.70 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 32.01 1mut n GLU 53 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1mut h LEU 54 N 0.00 -0.65 0.00 -1.84 6.46 -0.30 -3.15 115.31 115.83 1mut h LEU 54 Ca 0.00 0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.69 1mut h LEU 54 Cb 0.20 0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 1mut h LEU 54 CO 0.00 -0.37 -0.55 1.56 -0.62 0.00 0.00 178.44 178.45 1mut h GLN 55 N -0.95 0.00 -1.10 1.25 4.20 -1.66 -2.96 115.11 113.89 1mut h GLN 55 Ca -0.08 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 1mut h GLN 55 Cb 0.59 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 1mut h GLN 55 CO 0.13 0.39 0.06 0.39 -0.67 0.00 0.00 178.83 179.12 1mut n GLU 56 N -3.15 1.11 0.12 1.46 -0.58 -0.53 -3.89 120.64 115.17 1mut n GLU 56 Ca 0.01 -0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.50 1mut n GLU 56 Cb 0.71 -1.10 0.00 0.00 -0.57 0.00 0.00 31.44 30.48 1mut n GLU 56 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1mut n GLU 57 N 0.46 0.00 -0.01 3.49 -0.58 -1.19 -4.86 120.64 117.95 1mut n GLU 57 Ca 0.05 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.78 1mut n GLU 57 Cb 0.59 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.45 1mut n GLU 57 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1mut n VAL 58 N -3.10 0.09 -0.88 2.62 0.24 -1.24 -4.98 118.33 111.08 1mut n VAL 58 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1mut n VAL 58 Cb 0.00 -0.69 0.00 0.00 -1.47 0.00 0.00 33.84 31.68 1mut n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mut n GLY 59 N 3.26 0.70 3.67 7.63 0.00 -1.12 -4.92 105.19 114.40 1mut n GLY 59 Ca -0.03 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 1mut n GLY 59 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1mut n ILE 60 N -0.63 0.00 -3.05 -0.61 -5.35 -1.26 -4.92 119.36 103.54 1mut n ILE 60 Ca 0.00 -1.02 -0.19 0.00 -0.27 0.00 0.00 62.75 61.27 1mut n ILE 60 Cb 0.25 -1.43 -0.02 0.00 -1.74 0.00 0.00 39.64 36.70 1mut n ILE 60 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1mut n THR 61 N -3.59 0.70 -1.65 7.28 5.66 -1.18 -4.89 114.28 116.60 1mut n THR 61 Ca 0.16 -4.59 -0.48 0.00 -3.05 0.00 0.00 64.05 56.09 1mut n THR 61 Cb 0.55 -0.40 -0.05 0.00 -1.55 0.00 0.00 70.33 68.89 1mut n THR 61 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1mut n PRO 62 N 0.11 1.94 0.07 1.09 -0.01 -1.26 -3.97 135.00 132.96 1mut n PRO 62 Ca 0.25 0.70 -0.22 0.00 -0.01 0.00 0.00 63.50 64.22 1mut n PRO 62 Cb 0.63 -2.45 -0.15 0.00 -0.01 0.00 0.00 33.50 31.52 1mut n PRO 62 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 175.50 177.45 1mut h GLN 63 N 5.89 0.37 -1.43 -0.52 4.20 -1.78 -3.47 115.11 118.37 1mut h GLN 63 Ca -0.46 -0.63 0.09 0.00 0.06 0.00 0.00 58.65 57.72 1mut h GLN 63 Cb 1.27 0.23 -0.21 0.00 0.30 0.00 0.00 27.48 29.08 1mut h GLN 63 CO 0.87 1.30 -0.17 -1.58 -0.67 0.00 0.00 178.83 178.58 1mut s HIS 64 N -2.49 -1.42 0.49 2.96 2.46 -1.24 -5.03 115.29 111.01 1mut s HIS 64 Ca -0.13 1.94 0.02 0.00 0.47 0.00 0.00 55.06 57.36 1mut s HIS 64 Cb 0.02 0.66 -0.02 0.00 -0.13 0.00 0.00 32.58 33.12 1mut s HIS 64 CO 0.86 -0.74 0.03 -0.59 -2.47 0.00 0.00 174.74 171.82 1mut s PHE 65 N 2.86 1.88 0.10 3.88 -0.12 -1.26 -2.25 117.98 123.08 1mut s PHE 65 Ca 0.07 -1.01 -0.25 0.00 -0.05 0.00 0.00 56.93 55.69 1mut s PHE 65 Cb -0.13 -1.53 0.08 0.00 -0.63 0.00 0.00 43.02 40.81 1mut s PHE 65 CO -0.20 0.14 0.66 -1.12 -0.05 0.00 0.00 175.22 174.65 1mut s SER 66 N -3.82 -0.54 -0.80 1.98 0.01 -0.92 -4.87 113.70 104.74 1mut s SER 66 Ca 0.11 0.09 -0.23 0.00 1.31 0.00 0.00 55.95 57.22 1mut s SER 66 Cb 0.02 0.55 0.07 0.00 0.21 0.00 0.00 66.02 66.87 1mut s SER 66 CO 0.06 -0.86 1.17 -0.22 0.41 0.00 0.00 173.24 173.79 1mut s LEU 67 N -2.50 4.03 0.00 2.44 2.96 -1.26 -2.25 118.68 122.09 1mut s LEU 67 Ca 0.00 -1.14 0.00 0.00 -0.22 0.00 0.00 54.13 52.78 1mut s LEU 67 Cb -0.01 -2.48 0.00 0.00 0.50 0.00 0.00 46.19 44.20 1mut s LEU 67 CO -0.09 -1.49 0.70 0.33 -1.32 0.00 0.00 176.35 174.47 1mut n PHE 68 N 8.14 0.00 -3.56 5.38 7.35 -1.26 -4.81 117.46 128.71 1mut n PHE 68 Ca 0.10 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.79 1mut n PHE 68 Cb 0.48 -0.20 -0.06 0.00 0.35 0.00 0.00 39.48 40.06 1mut n PHE 68 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1mut s GLU 69 N -1.78 0.30 0.32 -4.13 2.56 -1.26 -5.04 118.70 109.66 1mut s GLU 69 Ca 0.00 0.58 -0.08 0.00 0.00 0.00 0.00 54.97 55.46 1mut s GLU 69 Cb 0.00 0.16 -0.06 0.00 2.00 0.00 0.00 34.13 36.23 1mut s GLU 69 CO 0.00 -0.07 0.64 -1.59 -0.56 0.00 0.00 175.26 173.68 1mut s LYS 70 N 1.63 3.74 0.00 4.30 -2.85 -1.26 -4.67 119.74 120.63 1mut s LYS 70 Ca -0.07 0.27 0.00 0.00 -1.00 0.00 0.00 55.97 55.17 1mut s LYS 70 Cb -0.04 -2.54 0.00 0.00 -2.06 0.00 0.00 37.83 33.19 1mut s LYS 70 CO -0.15 0.14 0.00 1.47 0.10 0.00 0.00 175.35 176.91 1mut n LEU 71 N -0.87 0.00 -3.64 2.77 -0.00 -1.26 -5.00 117.00 109.01 1mut n LEU 71 Ca 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.93 1mut n LEU 71 Cb 0.54 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.94 1mut n LEU 71 CO 0.47 0.00 0.48 -1.61 -0.00 0.00 0.00 177.39 176.72 1mut s GLU 72 N 1.26 1.46 0.32 1.47 2.02 -1.26 -4.38 118.70 119.59 1mut s GLU 72 Ca 0.00 -0.70 -0.10 0.00 0.02 0.00 0.00 54.97 54.19 1mut s GLU 72 Cb 0.00 0.57 0.01 0.00 0.10 0.00 0.00 34.13 34.81 1mut s GLU 72 CO 0.00 -0.66 0.57 -0.47 0.02 0.00 0.00 175.26 174.72 1mut s TYR 73 N -3.74 0.54 -0.30 1.61 5.04 -0.59 -4.98 117.35 114.93 1mut s TYR 73 Ca 0.06 -0.94 -0.01 0.00 -2.44 0.00 0.00 57.07 53.75 1mut s TYR 73 Cb -0.03 0.27 0.19 0.00 0.35 0.00 0.00 41.96 42.74 1mut s TYR 73 CO -0.03 -1.20 0.61 -2.00 -1.34 0.00 0.00 175.55 171.59 1mut s GLU 74 N -3.23 0.56 0.95 4.97 -6.30 -1.26 -0.79 118.70 113.60 1mut s GLU 74 Ca 0.23 0.96 -0.16 0.00 -2.50 0.00 0.00 54.97 53.50 1mut s GLU 74 Cb -0.02 0.53 0.19 0.00 0.00 0.00 0.00 34.13 34.83 1mut s GLU 74 CO 0.14 -0.63 1.30 -0.06 0.02 0.00 0.00 175.26 176.03 1mut s PHE 75 N 2.86 1.71 0.00 5.30 0.40 -0.63 -4.89 117.98 122.73 1mut s PHE 75 Ca 0.20 0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.89 1mut s PHE 75 Cb -0.15 -4.04 0.00 0.00 0.51 0.00 0.00 43.02 39.34 1mut s PHE 75 CO -0.21 -2.60 0.81 -0.35 0.70 0.00 0.00 175.22 173.57 1mut n PRO 76 N -3.75 0.72 0.00 0.24 -0.04 -1.26 -3.64 135.00 127.27 1mut n PRO 76 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1mut n PRO 76 Cb 0.60 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 1mut n PRO 76 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1mut n ASP 77 N 0.77 0.00 -2.93 3.54 2.03 -1.26 -5.15 116.55 113.55 1mut n ASP 77 Ca 0.00 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.15 1mut n ASP 77 Cb 0.36 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.70 1mut n ASP 77 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1mut n ARG 78 N -1.40 0.46 -4.48 -0.67 1.85 -1.24 -3.95 116.66 107.24 1mut n ARG 78 Ca 0.00 -2.53 -0.34 0.00 -1.00 0.00 0.00 57.85 53.98 1mut n ARG 78 Cb 0.00 1.77 -0.14 0.00 -1.05 0.00 0.00 32.46 33.04 1mut n ARG 78 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1mut s HIS 79 N -2.88 2.86 0.15 2.89 3.76 -1.26 -1.60 115.29 119.21 1mut s HIS 79 Ca 0.24 -0.76 -0.06 0.00 -0.15 0.00 0.00 55.06 54.32 1mut s HIS 79 Cb 0.01 -1.93 -0.06 0.00 1.11 0.00 0.00 32.58 31.72 1mut s HIS 79 CO 0.17 -0.33 0.41 0.42 -0.85 0.00 0.00 174.74 174.56 1mut s ILE 80 N 0.71 5.12 -0.28 0.60 -1.09 0.03 -3.36 121.20 122.92 1mut s ILE 80 Ca -0.05 0.17 -0.00 0.00 -2.23 0.00 0.00 60.65 58.53 1mut s ILE 80 Cb -0.15 -3.62 0.18 0.00 -1.58 0.00 0.00 42.46 37.28 1mut s ILE 80 CO 0.02 0.06 0.53 -0.89 -1.23 0.00 0.00 174.94 173.43 1mut s THR 81 N -1.64 -0.87 -0.04 2.92 2.01 -0.67 -1.54 115.64 115.80 1mut s THR 81 Ca 0.41 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.37 1mut s THR 81 Cb -0.12 -0.95 0.02 0.00 0.01 0.00 0.00 72.50 71.46 1mut s THR 81 CO 0.23 -0.05 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.87 1mut s LEU 82 N 2.75 1.18 0.11 4.42 2.96 -1.26 -3.02 118.68 125.83 1mut s LEU 82 Ca 0.16 -0.07 0.10 0.00 -0.22 0.00 0.00 54.13 54.11 1mut s LEU 82 Cb -0.14 -0.32 -0.04 0.00 0.50 0.00 0.00 46.19 46.19 1mut s LEU 82 CO -0.21 -0.09 -0.25 -1.66 -1.32 0.00 0.00 176.35 172.82 1mut s TRP 83 N 1.05 2.37 -0.11 5.38 -2.14 -1.24 -4.06 118.94 120.19 1mut s TRP 83 Ca -0.09 -0.35 0.01 0.00 2.66 0.00 0.00 56.10 58.32 1mut s TRP 83 Cb -0.14 -1.29 0.02 0.00 -3.10 0.00 0.00 33.47 28.96 1mut s TRP 83 CO -0.01 0.32 -0.11 -0.59 -2.66 0.00 0.00 176.95 173.90 1mut s PHE 84 N -1.05 1.69 -1.17 1.66 -0.71 -1.26 -1.85 117.98 115.29 1mut s PHE 84 Ca 0.15 -0.82 -0.13 0.00 -1.04 0.00 0.00 56.93 55.08 1mut s PHE 84 Cb -0.10 -1.30 0.18 0.00 -1.21 0.00 0.00 43.02 40.59 1mut s PHE 84 CO 0.06 -0.49 1.37 1.67 -1.34 0.00 0.00 175.22 176.49 1mut s TRP 85 N 1.32 3.58 -0.38 3.49 1.48 -1.25 -3.99 118.94 123.20 1mut s TRP 85 Ca -0.01 -2.16 -0.44 0.00 -1.06 0.00 0.00 56.10 52.42 1mut s TRP 85 Cb -0.14 -4.24 -0.19 0.00 -1.16 0.00 0.00 33.47 27.74 1mut s TRP 85 CO -0.05 -1.34 1.59 1.28 -4.06 0.00 0.00 176.95 174.37 1mut n LEU 86 N 5.30 1.45 -4.94 -4.66 7.99 -0.96 -4.34 117.00 116.84 1mut n LEU 86 Ca 0.34 1.15 -0.24 0.00 -0.01 0.00 0.00 56.01 57.25 1mut n LEU 86 Cb 0.43 -0.96 0.06 0.00 -0.11 0.00 0.00 43.42 42.83 1mut n LEU 86 CO 0.59 -0.82 0.55 0.68 -1.51 0.00 0.00 177.39 176.88 1mut s VAL 87 N 2.83 2.37 0.00 4.08 -7.23 -1.18 -2.16 120.40 119.12 1mut s VAL 87 Ca 1.01 -0.38 0.00 0.00 -1.81 0.00 0.00 61.98 60.80 1mut s VAL 87 Cb -1.35 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 32.60 1mut s VAL 87 CO 0.74 0.00 0.00 -0.62 -0.31 0.00 0.00 175.10 174.91 1mut n GLU 88 N -2.77 0.87 -3.48 4.82 1.02 -0.95 -4.44 120.64 115.71 1mut n GLU 88 Ca 0.08 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.10 1mut n GLU 88 Cb 0.60 -0.93 -0.03 0.00 -0.02 0.00 0.00 31.44 31.06 1mut n GLU 88 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1mut s ARG 89 N -1.73 1.03 0.00 3.49 3.03 -1.19 -4.78 118.95 118.80 1mut s ARG 89 Ca 0.00 -0.19 0.00 0.00 2.03 0.00 0.00 55.73 57.57 1mut s ARG 89 Cb 0.00 0.48 0.00 0.00 -1.03 0.00 0.00 34.95 34.40 1mut s ARG 89 CO 0.00 -0.41 0.00 -2.67 -1.13 0.00 0.00 175.30 171.09 1mut n TRP 90 N 0.07 0.00 -3.71 5.89 2.14 -1.26 -2.22 117.44 118.35 1mut n TRP 90 Ca -0.14 0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.30 1mut n TRP 90 Cb 0.62 0.00 -0.13 0.00 -0.81 0.00 0.00 31.31 30.99 1mut n TRP 90 CO 0.00 0.00 0.00 -2.00 2.07 0.00 0.00 177.69 177.76 1mut s GLU 91 N -0.27 0.23 0.00 -2.67 2.12 -1.25 -4.80 118.70 112.05 1mut s GLU 91 Ca 0.00 0.62 0.00 0.00 0.36 0.00 0.00 54.97 55.95 1mut s GLU 91 Cb 0.00 -0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.31 1mut s GLU 91 CO 0.00 -0.18 0.00 0.41 -0.54 0.00 0.00 175.26 174.95 1mut n GLY 92 N 4.43 0.33 3.20 -1.50 0.00 -1.26 -3.13 105.19 107.26 1mut n GLY 92 Ca -0.22 -2.30 -0.37 0.00 0.00 0.00 0.00 46.02 43.13 1mut n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mut s GLU 93 N 0.00 2.37 1.36 1.61 2.12 -1.26 -5.06 118.70 119.83 1mut s GLU 93 Ca 0.00 -1.50 -0.20 0.00 0.36 0.00 0.00 54.97 53.63 1mut s GLU 93 Cb 0.00 -3.54 0.34 0.00 0.26 0.00 0.00 34.13 31.19 1mut s GLU 93 CO 0.00 -0.88 0.85 -2.30 -0.54 0.00 0.00 175.26 172.39 1mut n PRO 94 N 4.73 -3.95 -0.26 4.30 -0.02 -1.26 -4.65 135.00 133.89 1mut n PRO 94 Ca -0.08 -1.16 0.00 0.00 -2.02 0.00 0.00 63.50 60.24 1mut n PRO 94 Cb 0.43 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1mut n PRO 94 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1mut n TRP 95 N -5.48 0.00 0.00 6.00 4.27 -1.26 -4.84 117.44 116.13 1mut n TRP 95 Ca 0.09 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.70 1mut n TRP 95 Cb 0.57 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.52 1mut n TRP 95 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1mut n GLY 96 N 4.36 -1.00 2.91 -1.67 0.00 -1.26 -4.80 105.19 103.73 1mut n GLY 96 Ca 0.00 0.46 -0.28 0.00 0.00 0.00 0.00 46.02 46.21 1mut n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mut n LYS 97 N 0.00 -4.49 0.00 1.61 4.81 -1.26 -2.69 118.16 116.14 1mut n LYS 97 Ca 0.00 -1.35 0.00 0.00 -0.87 0.00 0.00 58.31 56.09 1mut n LYS 97 Cb 0.00 -1.70 0.00 0.00 0.02 0.00 0.00 35.03 33.35 1mut n LYS 97 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1mut n GLU 98 N -5.39 0.00 -0.06 1.64 -0.58 -1.26 -4.59 120.64 110.39 1mut n GLU 98 Ca 0.13 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.88 1mut n GLU 98 Cb 0.54 -0.29 0.05 0.00 -0.57 0.00 0.00 31.44 31.17 1mut n GLU 98 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1mut n GLY 99 N 2.07 -0.30 3.37 0.62 0.00 -1.26 -4.73 105.19 104.96 1mut n GLY 99 Ca 0.00 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1mut n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mut s GLN 100 N -1.80 3.48 0.02 1.61 -0.21 -1.26 -5.00 119.66 116.50 1mut s GLN 100 Ca 0.07 -0.58 -0.26 0.00 0.02 0.00 0.00 55.36 54.62 1mut s GLN 100 Cb 0.04 -3.05 -0.17 0.00 1.00 0.00 0.00 33.01 30.83 1mut s GLN 100 CO 0.05 -0.11 1.36 -1.00 -2.12 0.00 0.00 175.29 173.47 1mut h PRO 101 N 7.86 -0.34 0.00 2.91 0.13 -1.87 -3.40 132.00 137.29 1mut h PRO 101 Ca -0.38 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1mut h PRO 101 Cb 1.17 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1mut h PRO 101 CO 0.60 -0.05 0.00 0.41 -0.23 0.00 0.00 178.00 178.73 1mut n GLY 102 N -0.49 -0.29 2.94 1.56 0.00 -1.26 -4.91 105.19 102.74 1mut n GLY 102 Ca -0.09 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 1mut n GLY 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mut s GLU 103 N -1.80 0.17 -0.50 1.61 -1.05 0.27 -4.80 118.70 112.60 1mut s GLU 103 Ca 0.00 -0.28 -0.22 0.00 -0.15 0.00 0.00 54.97 54.32 1mut s GLU 103 Cb 0.00 0.06 0.04 0.00 -0.44 0.00 0.00 34.13 33.79 1mut s GLU 103 CO 0.00 -0.03 0.77 -1.58 0.95 0.00 0.00 175.26 175.37 1mut s TRP 104 N -0.71 2.95 0.17 4.83 0.51 -1.26 -1.44 118.94 124.00 1mut s TRP 104 Ca -0.08 -0.14 -0.03 0.00 -2.12 0.00 0.00 56.10 53.74 1mut s TRP 104 Cb -0.05 -3.72 -0.05 0.00 -0.81 0.00 0.00 33.47 28.85 1mut s TRP 104 CO -0.00 -1.11 0.38 1.41 -0.51 0.00 0.00 176.95 177.12 1mut s MET 105 N 3.25 3.56 -0.40 4.98 1.75 -1.10 -4.84 119.30 126.51 1mut s MET 105 Ca 0.25 -0.22 -0.08 0.00 -1.25 0.00 0.00 55.69 54.39 1mut s MET 105 Cb -0.15 -2.85 0.07 0.00 2.84 0.00 0.00 34.83 34.75 1mut s MET 105 CO 0.18 0.44 0.22 -1.12 -0.65 0.00 0.00 175.02 174.08 1mut s SER 106 N -2.77 5.52 0.16 1.11 0.01 -1.26 -2.04 113.70 114.42 1mut s SER 106 Ca 0.40 -1.48 0.00 0.00 1.31 0.00 0.00 55.95 56.17 1mut s SER 106 Cb -0.12 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.17 1mut s SER 106 CO 0.27 -0.49 0.00 0.18 0.41 0.00 0.00 173.24 173.61 1mut n LEU 107 N 4.85 -0.83 0.00 2.44 4.77 -1.25 -5.01 117.00 121.98 1mut n LEU 107 Ca -0.10 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1mut n LEU 107 Cb 0.43 0.94 0.00 0.00 -2.33 0.00 0.00 43.42 42.46 1mut n LEU 107 CO 0.37 -0.43 0.00 0.55 -1.33 0.00 0.00 177.39 176.54 1mut n VAL 108 N -2.93 0.00 -2.24 4.08 3.14 -1.26 -4.69 118.33 114.42 1mut n VAL 108 Ca 0.00 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.41 1mut n VAL 108 Cb 0.00 -0.06 0.02 0.00 -1.06 0.00 0.00 33.84 32.74 1mut n VAL 108 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1mut n GLY 109 N -2.00 1.00 3.32 7.55 0.00 -1.26 -4.61 105.19 109.20 1mut n GLY 109 Ca 0.00 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 1mut n GLY 109 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1mut n LEU 110 N 0.21 -2.45 0.00 0.99 0.00 -1.26 -4.81 117.00 109.68 1mut n LEU 110 Ca 0.04 0.89 -0.05 0.00 0.00 0.00 0.00 56.01 56.89 1mut n LEU 110 Cb 0.95 -0.90 -0.00 0.00 0.00 0.00 0.00 43.42 43.46 1mut n LEU 110 CO -0.02 -3.90 -0.01 -3.20 0.00 0.00 0.00 177.39 170.26 1mut n ASN 111 N 2.24 1.68 -0.78 1.96 2.85 -1.26 -3.49 115.26 118.46 1mut n ASN 111 Ca 0.13 -1.36 0.07 0.00 -0.11 0.00 0.00 54.58 53.31 1mut n ASN 111 Cb 0.36 0.02 0.18 0.00 1.24 0.00 0.00 39.78 41.59 1mut n ASN 111 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1mut n ALA 112 N -2.76 2.46 0.01 5.20 0.00 -1.26 -4.03 120.51 120.11 1mut n ALA 112 Ca -0.03 -0.74 -0.21 0.00 0.00 0.00 0.00 53.44 52.46 1mut n ALA 112 Cb 0.11 -0.97 -0.14 0.00 0.00 0.00 0.00 19.45 18.45 1mut n ALA 112 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1mut h ASP 113 N 2.42 0.37 1.44 0.00 1.82 -1.98 -3.32 116.42 117.17 1mut h ASP 113 Ca 0.00 -0.85 0.00 0.00 -0.39 0.00 0.00 57.03 55.79 1mut h ASP 113 Cb 0.58 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.47 1mut h ASP 113 CO 0.01 1.61 0.00 0.47 -1.61 0.00 0.00 179.24 179.72 1mut n ASP 114 N -3.93 0.83 -4.86 2.28 9.92 -1.26 -4.74 116.55 114.79 1mut n ASP 114 Ca -0.25 0.58 -0.38 0.00 -0.53 0.00 0.00 54.79 54.22 1mut n ASP 114 Cb 0.89 -0.80 -0.06 0.00 -0.64 0.00 0.00 41.12 40.51 1mut n ASP 114 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1mut s PHE 115 N -3.12 3.67 0.45 1.24 0.08 -1.25 -1.43 117.98 117.62 1mut s PHE 115 Ca 0.10 0.77 -0.24 0.00 0.12 0.00 0.00 56.93 57.68 1mut s PHE 115 Cb 0.12 -2.12 -0.07 0.00 -0.57 0.00 0.00 43.02 40.38 1mut s PHE 115 CO 0.58 0.69 1.24 -1.25 -0.10 0.00 0.00 175.22 176.39 1mut s PRO 116 N -1.06 3.73 0.13 0.24 0.05 -1.26 -4.82 135.00 132.02 1mut s PRO 116 Ca 0.20 1.97 -0.31 0.00 0.05 0.00 0.00 61.00 62.91 1mut s PRO 116 Cb -0.14 -2.51 -0.10 0.00 0.05 0.00 0.00 34.50 31.80 1mut s PRO 116 CO 0.09 -0.63 1.67 -1.25 0.05 0.00 0.00 177.00 176.93 1mut s PRO 117 N -2.56 4.18 0.00 0.56 0.04 -1.26 -4.11 135.00 131.85 1mut s PRO 117 Ca 0.62 2.43 0.00 0.00 0.04 0.00 0.00 61.00 64.10 1mut s PRO 117 Cb -0.34 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1mut s PRO 117 CO 0.42 -0.71 0.00 0.00 0.04 0.00 0.00 177.00 176.74 1mut n ALA 118 N 4.83 0.00 -2.12 8.56 0.00 -1.26 -4.97 120.51 125.55 1mut n ALA 118 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.29 1mut n ALA 118 Cb 0.39 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.86 1mut n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mut n ASN 119 N 0.00 5.79 -0.30 0.00 3.02 -1.26 -4.81 115.26 117.70 1mut n ASN 119 Ca 0.00 -3.76 -0.05 0.00 -0.03 0.00 0.00 54.58 50.74 1mut n ASN 119 Cb 0.00 -0.64 0.07 0.00 -0.61 0.00 0.00 39.78 38.60 1mut n ASN 119 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1mut h GLU 120 N 2.54 1.11 0.00 3.52 5.08 -1.93 0.21 114.58 125.10 1mut h GLU 120 Ca 0.42 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.60 1mut h GLU 120 Cb 0.81 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1mut h GLU 120 CO 1.06 0.79 -0.33 -1.00 -1.00 0.00 0.00 179.01 178.54 1mut h PRO 121 N 1.11 0.00 0.06 2.33 0.13 -1.99 -0.63 132.00 133.00 1mut h PRO 121 Ca 0.29 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 65.04 1mut h PRO 121 Cb -0.02 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.07 1mut h PRO 121 CO -0.05 0.33 -2.20 1.33 -0.23 0.00 0.00 178.00 177.18 1mut n VAL 122 N -4.01 1.63 -0.12 1.56 0.24 -1.11 -4.07 118.33 112.44 1mut n VAL 122 Ca -0.02 -0.56 0.06 0.00 -2.04 0.00 0.00 64.34 61.78 1mut n VAL 122 Cb 0.38 -1.63 0.38 0.00 -1.47 0.00 0.00 33.84 31.51 1mut n VAL 122 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1mut h ILE 123 N -0.09 1.05 -0.98 1.34 1.08 -0.60 0.12 117.51 119.42 1mut h ILE 123 Ca -0.51 -0.23 0.16 0.00 -0.39 0.00 0.00 64.86 63.89 1mut h ILE 123 Cb 1.91 0.31 -0.09 0.00 -3.07 0.00 0.00 36.82 35.87 1mut h ILE 123 CO -0.04 0.12 0.62 0.00 -0.69 0.00 0.00 178.15 178.16 1mut h ALA 124 N 1.65 1.67 0.04 1.87 0.00 -1.25 0.58 119.26 123.82 1mut h ALA 124 Ca 0.26 0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.98 1mut h ALA 124 Cb 0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1mut h ALA 124 CO -0.07 0.03 -1.12 0.87 0.00 0.00 0.00 179.25 178.96 1mut h LYS 125 N 0.82 0.08 -0.16 0.00 1.79 -0.98 -3.20 116.57 114.93 1mut h LYS 125 Ca 0.52 -0.14 0.05 0.00 -2.18 0.00 0.00 60.65 58.90 1mut h LYS 125 Cb 0.73 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.43 1mut h LYS 125 CO -0.30 1.04 0.19 -0.07 -1.08 0.00 0.00 179.45 179.23 1mut h LEU 126 N 0.02 0.00 -0.47 2.94 4.07 0.41 -0.11 115.31 122.18 1mut h LEU 126 Ca -0.06 0.00 0.05 0.00 0.08 0.00 0.00 57.88 57.95 1mut h LEU 126 Cb 1.85 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.54 1mut h LEU 126 CO 0.15 0.00 0.20 0.11 -1.08 0.00 0.00 178.44 177.82 1mut h LYS 127 N 0.00 0.38 -0.00 1.13 1.57 -1.41 0.73 116.57 118.97 1mut h LYS 127 Ca 0.08 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1mut h LYS 127 Cb 0.45 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1mut h LYS 127 CO -0.00 0.25 -0.17 0.54 -0.57 0.00 0.00 179.45 179.51 1mut n ARG 128 N -4.96 0.39 0.00 3.15 1.74 -0.13 -4.55 116.66 112.30 1mut n ARG 128 Ca 0.04 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1mut n ARG 128 Cb 0.16 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1mut n ARG 128 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00