#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 3.20 -3.63 0.03 4.81 -1.26 -5.12 118.16 116.19 1mut n LYS 2 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 1mut n LYS 2 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 1mut n LYS 2 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1mut s LYS 3 N 4.47 0.53 -0.04 1.64 2.20 -1.26 -4.62 119.74 122.67 1mut s LYS 3 Ca 0.00 1.36 0.07 0.00 -0.36 0.00 0.00 55.97 57.04 1mut s LYS 3 Cb 0.00 0.76 -0.02 0.00 -1.51 0.00 0.00 37.83 37.06 1mut s LYS 3 CO 0.00 -0.23 -0.25 -0.48 -0.36 0.00 0.00 175.35 174.03 1mut s LEU 4 N 2.84 2.09 0.04 5.43 0.05 -1.24 -5.06 118.68 122.85 1mut s LEU 4 Ca -0.04 -0.47 0.04 0.00 0.05 0.00 0.00 54.13 53.71 1mut s LEU 4 Cb -0.12 -1.36 -0.02 0.00 -2.05 0.00 0.00 46.19 42.63 1mut s LEU 4 CO -0.18 0.29 -0.11 -1.10 -0.55 0.00 0.00 176.35 174.71 1mut s GLN 5 N -0.45 0.70 0.37 1.48 1.11 -1.26 -2.92 119.66 118.69 1mut s GLN 5 Ca 0.05 -0.72 0.07 0.00 0.01 0.00 0.00 55.36 54.77 1mut s GLN 5 Cb -0.11 -0.62 -0.07 0.00 -1.01 0.00 0.00 33.01 31.20 1mut s GLN 5 CO 0.01 0.14 -0.01 0.42 0.01 0.00 0.00 175.29 175.86 1mut s ILE 6 N -1.03 1.86 -0.32 1.08 1.01 -1.25 -3.46 121.20 119.10 1mut s ILE 6 Ca -0.03 -2.05 -0.02 0.00 0.00 0.00 0.00 60.65 58.55 1mut s ILE 6 Cb -0.08 -2.85 0.11 0.00 0.01 0.00 0.00 42.46 39.64 1mut s ILE 6 CO 0.01 -0.06 0.13 0.00 0.00 0.00 0.00 174.94 175.02 1mut s ALA 7 N -2.83 1.16 0.28 9.38 0.00 -1.26 -4.09 121.76 124.41 1mut s ALA 7 Ca 0.34 -1.53 0.07 0.00 0.00 0.00 0.00 51.96 50.85 1mut s ALA 7 Cb 0.08 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 1mut s ALA 7 CO 0.17 -1.73 0.21 0.54 0.00 0.00 0.00 175.76 174.94 1mut s VAL 8 N 1.67 3.99 -0.05 0.00 0.11 -1.26 -1.78 120.40 123.07 1mut s VAL 8 Ca 0.11 -1.46 -0.02 0.00 -2.93 0.00 0.00 61.98 57.68 1mut s VAL 8 Cb -0.18 -3.26 0.04 0.00 -1.53 0.00 0.00 36.38 31.45 1mut s VAL 8 CO -0.25 -0.29 0.10 -0.83 -3.33 0.00 0.00 175.10 170.49 1mut s GLY 9 N -3.88 0.14 0.29 6.54 0.00 -1.26 -4.14 107.32 105.00 1mut s GLY 9 Ca 0.36 0.35 -0.02 0.00 0.00 0.00 0.00 44.72 45.41 1mut s GLY 9 CO 0.25 1.42 0.51 -0.42 0.00 0.00 0.00 173.10 174.85 1mut s ILE 10 N 2.08 5.10 -0.07 0.90 1.01 -1.14 -4.70 121.20 124.39 1mut s ILE 10 Ca 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 1mut s ILE 10 Cb -0.12 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.61 1mut s ILE 10 CO -0.04 -0.37 0.15 -0.63 0.00 0.00 0.00 174.94 174.05 1mut s ILE 11 N -2.11 -0.17 -0.04 2.92 1.01 -1.26 -3.14 121.20 118.40 1mut s ILE 11 Ca 0.41 0.29 0.06 0.00 0.00 0.00 0.00 60.65 61.41 1mut s ILE 11 Cb -0.10 -0.26 -0.01 0.00 0.01 0.00 0.00 42.46 42.10 1mut s ILE 11 CO 0.32 0.12 -0.22 -0.60 0.00 0.00 0.00 174.94 174.56 1mut s ARG 12 N 1.83 2.18 0.00 2.79 6.06 -1.26 -1.10 118.95 129.45 1mut s ARG 12 Ca -0.02 -0.80 0.00 0.00 -2.50 0.00 0.00 55.73 52.41 1mut s ARG 12 Cb -0.12 -1.91 0.00 0.00 0.06 0.00 0.00 34.95 32.98 1mut s ARG 12 CO -0.06 0.37 0.00 0.27 -2.50 0.00 0.00 175.30 173.38 1mut n ASN 13 N 2.91 0.91 -0.05 -2.12 0.23 -0.95 -2.62 115.26 113.56 1mut n ASN 13 Ca -0.17 -0.94 0.15 0.00 -0.53 0.00 0.00 54.58 53.10 1mut n ASN 13 Cb 0.52 0.00 0.88 0.00 -2.08 0.00 0.00 39.78 39.11 1mut n ASN 13 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1mut n GLU 14 N -0.51 1.08 -0.25 -3.83 1.02 -1.26 -3.15 120.64 113.74 1mut n GLU 14 Ca 0.00 -0.11 0.05 0.00 -0.02 0.00 0.00 57.16 57.08 1mut n GLU 14 Cb 0.00 -1.49 0.16 0.00 -0.02 0.00 0.00 31.44 30.10 1mut n GLU 14 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1mut n ASN 15 N -0.86 2.25 -3.65 1.62 4.05 -1.26 -4.88 115.26 112.53 1mut n ASN 15 Ca 0.23 -2.12 -0.23 0.00 0.45 0.00 0.00 54.58 52.90 1mut n ASN 15 Cb 0.14 -0.33 0.06 0.00 1.23 0.00 0.00 39.78 40.87 1mut n ASN 15 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1mut n ASN 16 N 0.46 -4.12 -3.90 1.20 5.15 -1.19 -4.95 115.26 107.91 1mut n ASN 16 Ca 0.12 -0.66 -0.11 0.00 -0.60 0.00 0.00 54.58 53.33 1mut n ASN 16 Cb 0.41 -4.63 -0.10 0.00 -0.53 0.00 0.00 39.78 34.93 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 -6.11 0.41 0.10 1.20 2.02 -1.26 -3.86 118.70 111.20 1mut s GLU 17 Ca 0.37 -0.42 0.07 0.00 0.02 0.00 0.00 54.97 55.01 1mut s GLU 17 Cb -0.17 0.16 -0.03 0.00 0.10 0.00 0.00 34.13 34.19 1mut s GLU 17 CO 0.77 -0.09 -0.17 0.42 0.02 0.00 0.00 175.26 176.21 1mut s ILE 18 N -1.30 1.40 -1.38 -1.63 1.09 -0.93 -2.24 121.20 116.21 1mut s ILE 18 Ca -0.14 -1.51 -0.10 0.00 -1.10 0.00 0.00 60.65 57.81 1mut s ILE 18 Cb -0.08 -1.37 0.09 0.00 -1.06 0.00 0.00 42.46 40.04 1mut s ILE 18 CO 0.01 -0.21 2.21 0.33 -0.10 0.00 0.00 174.94 177.17 1mut n PHE 19 N 1.00 2.95 -0.31 3.97 7.35 -0.26 -1.37 117.46 130.79 1mut n PHE 19 Ca -0.19 -2.88 0.00 0.00 -0.76 0.00 0.00 57.45 53.62 1mut n PHE 19 Cb 0.55 -2.15 0.00 0.00 0.35 0.00 0.00 39.48 38.23 1mut n PHE 19 CO 0.00 0.00 0.00 1.51 -0.76 0.00 0.00 176.76 177.51 1mut n ILE 20 N 3.50 0.00 -4.37 -2.13 0.13 -0.37 -4.44 119.36 111.67 1mut n ILE 20 Ca 0.52 0.00 -0.19 0.00 -1.10 0.00 0.00 62.75 61.98 1mut n ILE 20 Cb 0.33 -1.08 -0.14 0.00 -0.84 0.00 0.00 39.64 37.91 1mut n ILE 20 CO 0.00 0.00 0.00 0.42 2.80 0.00 0.00 176.55 179.77 1mut s THR 21 N 0.47 0.84 0.00 9.51 -4.23 -1.26 -0.51 115.64 120.46 1mut s THR 21 Ca 0.00 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 1mut s THR 21 Cb 0.00 -0.73 0.00 0.00 1.34 0.00 0.00 72.50 73.11 1mut s THR 21 CO 0.00 0.12 0.00 0.54 -0.54 0.00 0.00 174.62 174.74 1mut n ARG 22 N 2.50 3.54 -1.53 3.99 5.12 -1.26 -2.76 116.66 126.26 1mut n ARG 22 Ca -0.15 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.51 1mut n ARG 22 Cb 0.56 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.74 1mut n ARG 22 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1mut n ARG 23 N 0.00 0.42 -3.68 5.56 1.85 -1.19 -4.73 116.66 114.90 1mut n ARG 23 Ca 0.00 -0.27 -0.38 0.00 -1.00 0.00 0.00 57.85 56.20 1mut n ARG 23 Cb 0.00 -2.52 -0.09 0.00 -1.05 0.00 0.00 32.46 28.79 1mut n ARG 23 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1mut s ALA 24 N 9.31 3.48 0.02 2.89 0.00 -1.26 -4.99 121.76 131.22 1mut s ALA 24 Ca 1.13 -2.97 0.00 0.00 0.00 0.00 0.00 51.96 50.12 1mut s ALA 24 Cb -0.54 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1mut s ALA 24 CO 0.33 -2.01 0.00 0.00 0.00 0.00 0.00 175.76 174.08 1mut n ALA 25 N 4.03 -0.40 -0.49 0.00 0.00 -1.26 -4.79 120.51 117.60 1mut n ALA 25 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1mut n ALA 25 Cb 0.40 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 -1.74 0.00 -3.23 0.00 8.00 -1.26 -4.85 116.55 113.47 1mut n ASP 26 Ca -0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.38 1mut n ASP 26 Cb 0.02 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.13 1mut n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mut n ALA 27 N 8.43 -2.24 -1.11 2.24 0.00 -1.26 -4.96 120.51 121.61 1mut n ALA 27 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1mut n ALA 27 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 0.77 0.00 -3.68 0.00 8.25 -1.26 -5.02 115.22 114.28 1mut n HIS 28 Ca -0.02 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.19 1mut n HIS 28 Cb 0.51 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.63 1mut n HIS 28 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1mut s MET 29 N 0.00 2.28 -0.12 -0.41 1.75 -1.26 -4.88 119.30 116.66 1mut s MET 29 Ca 0.00 -1.92 -0.01 0.00 -1.25 0.00 0.00 55.69 52.51 1mut s MET 29 Cb 0.00 -2.23 0.01 0.00 2.84 0.00 0.00 34.83 35.44 1mut s MET 29 CO 0.00 -0.66 0.03 0.00 -0.65 0.00 0.00 175.02 173.74 1mut n ALA 30 N -1.87 -2.51 -1.47 4.11 0.00 -1.26 -4.53 120.51 112.98 1mut n ALA 30 Ca 0.03 0.43 -0.59 0.00 0.00 0.00 0.00 53.44 53.31 1mut n ALA 30 Cb 0.64 -1.14 -0.10 0.00 0.00 0.00 0.00 19.45 18.85 1mut n ALA 30 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mut n ASN 31 N 1.34 1.42 -4.86 0.00 3.02 -1.26 -4.89 115.26 110.03 1mut n ASN 31 Ca -0.05 0.79 -0.36 0.00 -0.03 0.00 0.00 54.58 54.93 1mut n ASN 31 Cb 0.29 -1.01 -0.06 0.00 -0.61 0.00 0.00 39.78 38.38 1mut n ASN 31 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1mut s LYS 32 N 5.03 3.39 0.16 3.52 0.00 -1.26 -4.84 119.74 125.73 1mut s LYS 32 Ca 1.11 -0.19 0.02 0.00 0.00 0.00 0.00 55.97 56.92 1mut s LYS 32 Cb -1.29 -3.13 0.02 0.00 0.00 0.00 0.00 37.83 33.43 1mut s LYS 32 CO 0.66 0.76 0.18 1.28 0.00 0.00 0.00 175.35 178.23 1mut n LEU 33 N 1.87 0.00 0.00 2.77 4.77 -0.77 -3.14 117.00 122.50 1mut n LEU 33 Ca -0.19 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 1mut n LEU 33 Cb 0.55 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1mut n LEU 33 CO 0.32 -0.48 0.00 1.21 -1.33 0.00 0.00 177.39 177.11 1mut n GLU 34 N -1.17 0.00 -3.73 3.23 2.13 -1.11 -4.30 120.64 115.68 1mut n GLU 34 Ca 0.03 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.72 1mut n GLU 34 Cb 0.17 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.78 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 -1.92 -0.45 0.00 4.31 0.08 -1.26 -4.23 117.98 114.51 1mut s PHE 35 Ca 0.00 1.07 0.00 0.00 0.12 0.00 0.00 56.93 58.12 1mut s PHE 35 Cb 0.00 0.17 0.00 0.00 -0.57 0.00 0.00 43.02 42.62 1mut s PHE 35 CO 0.00 -0.23 0.00 -0.35 -0.10 0.00 0.00 175.22 174.54 1mut n PRO 36 N 3.22 0.85 0.00 0.24 -0.04 -1.26 -4.96 135.00 133.05 1mut n PRO 36 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1mut n PRO 36 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1mut n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mut n GLY 37 N 0.30 3.67 0.58 0.55 0.00 -1.15 -4.39 105.19 104.75 1mut n GLY 37 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.36 0.59 0.82 -0.02 0.00 -0.73 -3.48 105.19 101.01 1mut n GLY 38 Ca 0.00 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.02 1mut n GLY 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mut n LYS 39 N 0.03 -1.94 -3.59 1.61 4.01 -1.26 -4.87 118.16 112.15 1mut n LYS 39 Ca 0.01 1.57 -0.29 0.00 -0.51 0.00 0.00 58.31 59.09 1mut n LYS 39 Cb 0.74 -2.19 -0.15 0.00 -0.51 0.00 0.00 35.03 32.91 1mut n LYS 39 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 1mut s ILE 40 N -3.90 0.11 -0.62 -0.18 2.07 -1.22 -4.21 121.20 113.25 1mut s ILE 40 Ca 0.00 -0.79 0.09 0.00 -1.41 0.00 0.00 60.65 58.54 1mut s ILE 40 Cb 0.00 -1.05 -0.05 0.00 0.13 0.00 0.00 42.46 41.49 1mut s ILE 40 CO 0.00 -0.65 0.48 -0.62 -1.91 0.00 0.00 174.94 172.25 1mut n GLU 41 N 5.18 3.16 0.00 3.50 1.02 -1.26 -4.75 120.64 127.49 1mut n GLU 41 Ca -0.06 -0.28 0.00 0.00 -0.02 0.00 0.00 57.16 56.81 1mut n GLU 41 Cb 0.43 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 1mut n GLU 41 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1mut n MET 42 N -0.76 0.00 0.00 3.49 2.81 -1.26 -4.93 117.12 116.48 1mut n MET 42 Ca 0.03 0.37 0.00 0.00 -1.81 0.00 0.00 57.70 56.28 1mut n MET 42 Cb 0.16 -1.18 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 1mut n MET 42 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1mut n GLY 43 N -0.80 1.14 0.00 3.03 0.00 -1.26 -5.05 105.19 102.25 1mut n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.42 0.00 -3.81 1.61 2.13 -1.26 -5.09 120.64 113.80 1mut n GLU 44 Ca 0.00 0.02 -0.07 0.00 0.66 0.00 0.00 57.16 57.77 1mut n GLU 44 Cb 0.00 -0.30 -0.02 0.00 0.27 0.00 0.00 31.44 31.39 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 -0.06 0.00 -1.08 6.31 -1.32 -1.26 -5.02 115.64 113.22 1mut s THR 45 Ca 0.00 -0.87 0.00 0.00 -1.21 0.00 0.00 61.69 59.61 1mut s THR 45 Cb 0.00 -1.91 0.00 0.00 -1.51 0.00 0.00 72.50 69.08 1mut s THR 45 CO 0.00 0.00 0.39 -0.81 -2.21 0.00 0.00 174.62 171.99 1mut n PRO 46 N -0.45 0.73 -0.06 7.08 -0.04 -1.26 -3.22 135.00 137.78 1mut n PRO 46 Ca -0.05 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.30 1mut n PRO 46 Cb 0.60 -1.34 -0.05 0.00 -0.04 0.00 0.00 33.50 32.68 1mut n PRO 46 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1mut n GLU 47 N 0.09 0.26 0.06 0.54 1.02 -1.26 -4.53 120.64 116.82 1mut n GLU 47 Ca 0.00 0.09 -0.10 0.00 -0.02 0.00 0.00 57.16 57.13 1mut n GLU 47 Cb 0.17 -1.04 -0.07 0.00 -0.02 0.00 0.00 31.44 30.48 1mut n GLU 47 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1mut h GLN 48 N -0.26 -0.22 -0.92 3.49 4.20 -1.98 -2.05 115.11 117.37 1mut h GLN 48 Ca -0.28 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.53 1mut h GLN 48 Cb 1.31 0.05 -0.11 0.00 0.30 0.00 0.00 27.48 29.03 1mut h GLN 48 CO -0.13 0.18 -0.54 0.00 -0.67 0.00 0.00 178.83 177.67 1mut n ALA 49 N -2.59 -0.58 0.07 3.87 0.00 -1.20 0.16 120.51 120.24 1mut n ALA 49 Ca -0.07 0.78 -0.01 0.00 0.00 0.00 0.00 53.44 54.14 1mut n ALA 49 Cb 0.25 -0.13 0.28 0.00 0.00 0.00 0.00 19.45 19.86 1mut n ALA 49 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1mut h VAL 50 N 0.00 1.24 -0.50 0.00 3.04 -1.80 -2.32 116.25 115.91 1mut h VAL 50 Ca 0.15 -1.10 0.07 0.00 -1.01 0.00 0.00 66.70 64.80 1mut h VAL 50 Cb 0.38 1.34 -0.09 0.00 -2.01 0.00 0.00 31.29 30.90 1mut h VAL 50 CO -0.86 0.34 -0.49 1.62 -1.01 0.00 0.00 177.57 177.17 1mut h VAL 51 N 0.31 0.05 0.00 1.51 3.04 0.23 0.70 116.25 122.08 1mut h VAL 51 Ca 0.05 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.68 1mut h VAL 51 Cb 0.56 0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 29.88 1mut h VAL 51 CO 0.04 0.00 -0.28 -0.09 -1.01 0.00 0.00 177.57 176.22 1mut h ARG 52 N -0.31 0.00 0.00 4.17 2.43 -1.09 -1.11 114.38 118.47 1mut h ARG 52 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1mut h ARG 52 Cb 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1mut h ARG 52 CO -0.64 0.28 0.00 0.39 -1.51 0.00 0.00 179.97 178.49 1mut n GLU 53 N -4.05 0.20 -0.05 0.20 -0.58 0.22 -1.24 120.64 115.34 1mut n GLU 53 Ca -0.02 0.12 -0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1mut n GLU 53 Cb 0.35 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.71 1mut n GLU 53 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1mut h LEU 54 N 0.00 0.00 0.00 -4.62 6.46 0.58 -3.36 115.31 114.37 1mut h LEU 54 Ca 0.00 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.69 1mut h LEU 54 Cb 0.21 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 1mut h LEU 54 CO 0.00 0.48 -0.40 1.56 -0.62 0.00 0.00 178.44 179.46 1mut h GLN 55 N -0.94 0.00 -0.98 1.25 4.20 -1.63 -1.17 115.11 115.84 1mut h GLN 55 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1mut h GLN 55 Cb 0.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1mut h GLN 55 CO 0.00 0.33 0.00 -0.85 -0.67 0.00 0.00 178.83 177.65 1mut n GLU 56 N -3.16 1.17 0.11 1.46 -0.00 -0.37 -4.06 120.64 115.78 1mut n GLU 56 Ca 0.02 -0.14 0.00 0.00 -0.00 0.00 0.00 57.16 57.05 1mut n GLU 56 Cb 0.67 -1.53 0.00 0.00 -0.00 0.00 0.00 31.44 30.59 1mut n GLU 56 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1mut n GLU 57 N 0.03 0.00 0.00 3.44 1.02 -1.22 -4.96 120.64 118.95 1mut n GLU 57 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1mut n GLU 57 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.71 1mut n GLU 57 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1mut n VAL 58 N -3.18 0.00 -2.49 2.62 0.24 -1.19 -5.01 118.33 109.32 1mut n VAL 58 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.27 1mut n VAL 58 Cb 0.00 -0.75 0.02 0.00 -1.47 0.00 0.00 33.84 31.64 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 2.66 -0.67 3.86 7.63 0.00 -0.45 -4.74 105.19 113.49 1mut n GLY 59 Ca 0.00 0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1mut n GLY 59 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1mut s ILE 60 N -3.09 4.69 -0.07 -0.61 -4.36 -1.26 -4.66 121.20 111.84 1mut s ILE 60 Ca 0.11 0.85 -0.10 0.00 -0.26 0.00 0.00 60.65 61.24 1mut s ILE 60 Cb -0.01 -3.75 -0.03 0.00 1.25 0.00 0.00 42.46 39.91 1mut s ILE 60 CO 0.45 -0.68 -0.20 1.07 0.24 0.00 0.00 174.94 175.82 1mut n THR 61 N -1.65 1.26 -0.74 8.37 5.66 -1.26 -4.68 114.28 121.24 1mut n THR 61 Ca 0.04 0.25 -0.13 0.00 -3.05 0.00 0.00 64.05 61.16 1mut n THR 61 Cb 0.54 -1.99 -0.09 0.00 -1.55 0.00 0.00 70.33 67.24 1mut n THR 61 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1mut n PRO 62 N -3.94 1.69 -3.09 1.09 -0.04 -1.26 -4.68 135.00 124.75 1mut n PRO 62 Ca -0.08 -0.95 -0.38 0.00 -0.04 0.00 0.00 63.50 62.05 1mut n PRO 62 Cb 0.29 -2.03 -0.01 0.00 -0.04 0.00 0.00 33.50 31.71 1mut n PRO 62 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1mut n GLN 63 N 3.03 3.99 -1.81 0.54 7.27 -1.24 0.22 117.38 129.38 1mut n GLN 63 Ca 0.36 -4.60 -0.43 0.00 0.07 0.00 0.00 57.00 52.40 1mut n GLN 63 Cb 0.50 -2.43 -0.03 0.00 2.41 0.00 0.00 30.24 30.69 1mut n GLN 63 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1mut s HIS 64 N -2.82 1.55 0.37 3.69 5.65 -1.26 -4.77 115.29 117.69 1mut s HIS 64 Ca 0.34 0.22 0.04 0.00 0.25 0.00 0.00 55.06 55.91 1mut s HIS 64 Cb 0.09 -4.05 -0.03 0.00 -1.18 0.00 0.00 32.58 27.41 1mut s HIS 64 CO 0.06 -4.15 0.13 -0.59 -0.65 0.00 0.00 174.74 169.54 1mut s PHE 65 N 5.93 1.77 -0.28 3.88 -0.12 -1.26 -0.93 117.98 126.96 1mut s PHE 65 Ca 0.86 -1.26 -0.16 0.00 -0.05 0.00 0.00 56.93 56.32 1mut s PHE 65 Cb -0.33 -1.10 0.10 0.00 -0.63 0.00 0.00 43.02 41.06 1mut s PHE 65 CO 0.35 -0.31 0.78 -1.12 -0.05 0.00 0.00 175.22 174.87 1mut s SER 66 N -3.53 -0.80 -0.79 1.98 0.01 -1.06 -4.99 113.70 104.52 1mut s SER 66 Ca 0.29 1.29 -0.25 0.00 1.31 0.00 0.00 55.95 58.58 1mut s SER 66 Cb 0.04 1.33 -0.17 0.00 0.21 0.00 0.00 66.02 67.43 1mut s SER 66 CO 0.16 -0.20 2.47 -0.11 0.41 0.00 0.00 173.24 175.96 1mut n LEU 67 N 4.09 0.98 0.00 2.44 7.94 -1.26 -3.51 117.00 127.68 1mut n LEU 67 Ca -0.19 -0.46 0.00 0.00 -1.11 0.00 0.00 56.01 54.25 1mut n LEU 67 Cb 0.58 -1.22 0.00 0.00 0.53 0.00 0.00 43.42 43.32 1mut n LEU 67 CO -0.01 -1.46 0.39 0.33 -1.11 0.00 0.00 177.39 175.54 1mut n PHE 68 N 13.03 0.00 -3.52 1.96 7.35 -1.24 -4.84 117.46 130.21 1mut n PHE 68 Ca 0.53 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 57.12 1mut n PHE 68 Cb 0.30 -0.28 -0.02 0.00 0.35 0.00 0.00 39.48 39.82 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 -2.13 1.19 0.18 -4.13 2.12 -0.96 -4.99 118.70 109.98 1mut s GLU 69 Ca 0.00 -0.49 0.10 0.00 0.36 0.00 0.00 54.97 54.94 1mut s GLU 69 Cb 0.00 0.52 -0.04 0.00 0.26 0.00 0.00 34.13 34.86 1mut s GLU 69 CO 0.00 -0.53 -0.14 0.21 -0.54 0.00 0.00 175.26 174.26 1mut s LYS 70 N -3.55 1.89 0.23 4.30 2.20 -1.26 -2.48 119.74 121.06 1mut s LYS 70 Ca 0.04 -1.35 0.01 0.00 -0.36 0.00 0.00 55.97 54.32 1mut s LYS 70 Cb -0.02 -2.06 -0.00 0.00 -1.51 0.00 0.00 37.83 34.24 1mut s LYS 70 CO -0.09 0.42 0.05 1.47 -0.36 0.00 0.00 175.35 176.85 1mut n LEU 71 N 0.12 0.00 -3.57 5.43 -0.00 -1.24 -4.90 117.00 112.83 1mut n LEU 71 Ca -0.11 -1.61 -0.16 0.00 -0.00 0.00 0.00 56.01 54.12 1mut n LEU 71 Cb 0.56 0.40 -0.06 0.00 -0.00 0.00 0.00 43.42 44.31 1mut n LEU 71 CO 0.33 -0.24 0.33 -0.70 -0.00 0.00 0.00 177.39 177.11 1mut s GLU 72 N -2.85 0.99 0.20 1.47 2.12 -1.26 -4.32 118.70 115.04 1mut s GLU 72 Ca 0.07 0.05 -0.16 0.00 0.36 0.00 0.00 54.97 55.29 1mut s GLU 72 Cb 0.00 0.46 0.02 0.00 0.26 0.00 0.00 34.13 34.87 1mut s GLU 72 CO 0.05 -0.32 0.49 -0.47 -0.54 0.00 0.00 175.26 174.47 1mut s TYR 73 N -1.54 -0.02 -0.14 5.30 5.04 -0.98 -5.01 117.35 120.01 1mut s TYR 73 Ca -0.10 -0.33 -0.06 0.00 -2.44 0.00 0.00 57.07 54.15 1mut s TYR 73 Cb -0.01 0.32 0.07 0.00 0.35 0.00 0.00 41.96 42.69 1mut s TYR 73 CO 0.06 -0.90 0.30 -2.00 -1.34 0.00 0.00 175.55 171.67 1mut s GLU 74 N -3.89 0.21 0.81 4.97 2.12 -1.26 -2.14 118.70 119.51 1mut s GLU 74 Ca 0.11 0.77 -0.11 0.00 0.36 0.00 0.00 54.97 56.11 1mut s GLU 74 Cb -0.00 0.02 0.10 0.00 0.26 0.00 0.00 34.13 34.51 1mut s GLU 74 CO -0.02 -0.25 1.15 -0.06 -0.54 0.00 0.00 175.26 175.54 1mut s PHE 75 N 2.21 2.55 -0.00 5.30 0.40 -0.80 -4.90 117.98 122.74 1mut s PHE 75 Ca -0.02 0.50 0.24 0.00 -0.60 0.00 0.00 56.93 57.05 1mut s PHE 75 Cb -0.11 -3.52 1.30 0.00 0.51 0.00 0.00 43.02 41.19 1mut s PHE 75 CO -0.10 -1.86 1.71 -1.35 0.70 0.00 0.00 175.22 174.32 1mut h PRO 76 N -1.02 0.00 0.00 0.24 0.11 -2.04 -3.19 132.00 126.10 1mut h PRO 76 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1mut h PRO 76 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1mut h PRO 76 CO 0.56 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 1mut n ASP 77 N -2.37 0.00 -1.48 -2.05 5.75 -1.26 -5.14 116.55 110.01 1mut n ASP 77 Ca -0.02 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.76 1mut n ASP 77 Cb 0.10 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 1mut n ASP 77 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1mut n ARG 78 N 0.00 1.13 -3.74 0.11 5.12 -1.21 -4.27 116.66 113.81 1mut n ARG 78 Ca 0.00 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.79 1mut n ARG 78 Cb 0.43 0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.59 1mut n ARG 78 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1mut s HIS 79 N -1.40 -0.22 -0.70 -1.55 3.76 -1.26 -1.90 115.29 112.02 1mut s HIS 79 Ca 0.00 0.58 0.02 0.00 -0.15 0.00 0.00 55.06 55.51 1mut s HIS 79 Cb 0.00 -0.05 0.17 0.00 1.11 0.00 0.00 32.58 33.82 1mut s HIS 79 CO 0.00 -0.19 0.51 0.42 -0.85 0.00 0.00 174.74 174.63 1mut s ILE 80 N 1.23 3.36 -1.01 0.60 -1.09 -0.91 -3.60 121.20 119.78 1mut s ILE 80 Ca -0.09 -3.76 -0.16 0.00 -2.23 0.00 0.00 60.65 54.41 1mut s ILE 80 Cb -0.11 -3.18 0.16 0.00 -1.58 0.00 0.00 42.46 37.75 1mut s ILE 80 CO -0.07 -0.96 1.18 0.42 -1.23 0.00 0.00 174.94 174.27 1mut s THR 81 N -0.96 4.98 0.38 2.92 -4.23 -1.15 -2.31 115.64 115.27 1mut s THR 81 Ca 0.23 -2.08 0.07 0.00 -1.18 0.00 0.00 61.69 58.72 1mut s THR 81 Cb -0.12 -4.78 -0.01 0.00 1.34 0.00 0.00 72.50 68.93 1mut s THR 81 CO -0.10 -1.47 0.45 -0.76 -0.54 0.00 0.00 174.62 172.20 1mut s LEU 82 N 1.87 3.71 0.31 4.79 1.02 -1.26 -3.74 118.68 125.38 1mut s LEU 82 Ca 0.34 -0.41 0.08 0.00 0.02 0.00 0.00 54.13 54.16 1mut s LEU 82 Cb -0.05 -2.51 -0.06 0.00 0.02 0.00 0.00 46.19 43.59 1mut s LEU 82 CO -0.07 -0.56 -0.09 0.26 0.02 0.00 0.00 176.35 175.91 1mut s TRP 83 N -2.30 2.18 -0.39 0.29 0.52 -1.26 -3.72 118.94 114.26 1mut s TRP 83 Ca 0.48 -0.57 0.01 0.00 0.02 0.00 0.00 56.10 56.04 1mut s TRP 83 Cb -0.08 -1.21 0.14 0.00 -1.15 0.00 0.00 33.47 31.17 1mut s TRP 83 CO 0.30 0.46 0.23 -0.06 0.02 0.00 0.00 176.95 177.91 1mut s PHE 84 N -2.78 1.17 0.27 -1.98 0.40 -1.04 -4.55 117.98 109.48 1mut s PHE 84 Ca 0.31 -1.95 -0.09 0.00 -0.60 0.00 0.00 56.93 54.59 1mut s PHE 84 Cb 0.02 -1.23 -0.07 0.00 0.51 0.00 0.00 43.02 42.25 1mut s PHE 84 CO 0.14 -0.81 0.60 1.67 0.70 0.00 0.00 175.22 177.52 1mut s TRP 85 N 0.73 3.43 -0.06 0.36 1.48 -1.26 -2.26 118.94 121.37 1mut s TRP 85 Ca 0.19 0.88 -0.02 0.00 -1.06 0.00 0.00 56.10 56.09 1mut s TRP 85 Cb -0.21 -2.28 0.04 0.00 -1.16 0.00 0.00 33.47 29.86 1mut s TRP 85 CO -0.01 0.19 0.12 -1.17 -4.06 0.00 0.00 176.95 172.01 1mut s LEU 86 N -3.11 0.62 0.00 -4.66 2.96 -1.23 -2.87 118.68 110.39 1mut s LEU 86 Ca 0.48 0.24 0.00 0.00 -0.22 0.00 0.00 54.13 54.63 1mut s LEU 86 Cb -0.11 0.23 0.00 0.00 0.50 0.00 0.00 46.19 46.81 1mut s LEU 86 CO 0.24 -0.17 0.00 1.33 -1.32 0.00 0.00 176.35 176.43 1mut n VAL 87 N 4.47 0.00 0.00 1.68 0.24 -1.19 -2.55 118.33 120.98 1mut n VAL 87 Ca -0.22 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1mut n VAL 87 Cb 0.51 -1.05 0.00 0.00 -1.47 0.00 0.00 33.84 31.83 1mut n VAL 87 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1mut n GLU 88 N -0.12 3.56 -0.74 7.34 1.02 -0.11 -4.35 120.64 127.23 1mut n GLU 88 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1mut n GLU 88 Cb 0.00 -0.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 1mut n GLU 88 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1mut n ARG 89 N -0.17 0.00 0.00 3.49 1.85 -1.08 -3.79 116.66 116.96 1mut n ARG 89 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1mut n ARG 89 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1mut n ARG 89 CO 0.00 0.00 0.00 -2.67 -0.01 0.00 0.00 177.63 174.95 1mut n TRP 90 N 0.00 0.00 -0.00 2.89 2.14 0.59 -3.59 117.44 119.46 1mut n TRP 90 Ca 0.00 0.00 -0.02 0.00 2.07 0.00 0.00 57.50 59.55 1mut n TRP 90 Cb 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 30.49 1mut n TRP 90 CO 0.00 0.00 0.00 -1.91 2.07 0.00 0.00 177.69 177.85 1mut n GLU 91 N -1.07 0.15 0.00 -2.67 2.13 -1.26 -4.74 120.64 113.18 1mut n GLU 91 Ca 0.00 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1mut n GLU 91 Cb 0.00 -0.66 0.00 0.00 0.27 0.00 0.00 31.44 31.05 1mut n GLU 91 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1mut n GLY 92 N 2.68 -2.78 3.56 8.31 0.00 -1.26 -4.94 105.19 110.75 1mut n GLY 92 Ca -0.04 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 1mut n GLY 92 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mut s GLU 93 N 0.00 3.82 0.40 1.61 1.03 -1.26 -4.96 118.70 119.35 1mut s GLU 93 Ca 0.00 -0.42 -0.23 0.00 0.03 0.00 0.00 54.97 54.35 1mut s GLU 93 Cb 0.00 -3.14 -0.13 0.00 -0.80 0.00 0.00 34.13 30.06 1mut s GLU 93 CO 0.00 0.18 0.61 -2.30 -1.33 0.00 0.00 175.26 172.42 1mut n PRO 94 N 3.79 0.65 -1.06 -4.83 -0.02 -1.26 -4.59 135.00 127.68 1mut n PRO 94 Ca -0.17 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1mut n PRO 94 Cb 0.52 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 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 -0.73 -1.45 0.00 6.00 4.27 -1.26 -4.90 117.44 119.37 1mut n TRP 95 Ca 0.11 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.72 1mut n TRP 95 Cb 0.38 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.33 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 5.00 -1.28 3.35 -1.67 0.00 -1.26 -4.84 105.19 104.50 1mut n GLY 96 Ca 0.00 0.47 -0.32 0.00 0.00 0.00 0.00 46.02 46.17 1mut n GLY 96 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mut s LYS 97 N 0.00 2.36 -1.22 1.61 2.20 -1.23 -2.94 119.74 120.52 1mut s LYS 97 Ca 0.00 -0.85 -0.07 0.00 -0.36 0.00 0.00 55.97 54.69 1mut s LYS 97 Cb 0.00 -2.19 0.21 0.00 -1.51 0.00 0.00 37.83 34.34 1mut s LYS 97 CO 0.00 0.53 1.82 -1.91 -0.36 0.00 0.00 175.35 175.43 1mut n GLU 98 N 2.54 4.00 0.00 4.03 0.00 -1.26 -3.90 120.64 126.04 1mut n GLU 98 Ca -0.17 -3.83 0.00 0.00 0.00 0.00 0.00 57.16 53.16 1mut n GLU 98 Cb 0.52 -2.77 0.00 0.00 0.00 0.00 0.00 31.44 29.18 1mut n GLU 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1mut n GLY 99 N 2.21 0.19 3.52 8.31 0.00 -1.26 -5.09 105.19 113.08 1mut n GLY 99 Ca 0.38 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 3.34 -1.06 1.61 1.11 -1.25 -4.97 119.66 118.44 1mut s GLN 100 Ca 0.00 -0.36 -0.26 0.00 0.01 0.00 0.00 55.36 54.76 1mut s GLN 100 Cb 0.00 -3.92 -0.17 0.00 -1.01 0.00 0.00 33.01 27.91 1mut s GLN 100 CO 0.00 -0.91 2.10 -1.25 0.01 0.00 0.00 175.29 175.25 1mut s PRO 101 N 2.64 1.61 0.70 2.91 0.04 -1.26 -4.79 135.00 136.86 1mut s PRO 101 Ca 0.21 -0.48 -0.06 0.00 0.04 0.00 0.00 61.00 60.70 1mut s PRO 101 Cb -0.15 -5.02 0.07 0.00 0.04 0.00 0.00 34.50 29.44 1mut s PRO 101 CO 0.17 -4.90 1.01 0.20 0.04 0.00 0.00 177.00 173.51 1mut s GLY 102 N 8.32 1.71 0.29 0.56 0.00 -1.25 -4.18 107.32 112.76 1mut s GLY 102 Ca 0.79 -1.00 -0.20 0.00 0.00 0.00 0.00 44.72 44.31 1mut s GLY 102 CO 0.15 -0.59 0.79 -1.83 0.00 0.00 0.00 173.10 171.62 1mut s GLU 103 N -5.23 1.81 -0.53 2.90 -1.05 0.33 -4.89 118.70 112.03 1mut s GLU 103 Ca 0.61 -1.06 -0.25 0.00 -0.15 0.00 0.00 54.97 54.11 1mut s GLU 103 Cb -0.10 0.57 0.04 0.00 -0.44 0.00 0.00 34.13 34.20 1mut s GLU 103 CO 0.44 -0.84 0.98 -1.58 0.95 0.00 0.00 175.26 175.22 1mut s TRP 104 N -3.30 2.79 -0.11 4.83 0.51 -1.22 -1.24 118.94 121.20 1mut s TRP 104 Ca 0.13 0.16 -0.02 0.00 -2.12 0.00 0.00 56.10 54.24 1mut s TRP 104 Cb -0.05 -4.13 -0.03 0.00 -0.81 0.00 0.00 33.47 28.45 1mut s TRP 104 CO 0.07 -1.33 -0.02 1.41 -0.51 0.00 0.00 176.95 176.58 1mut s MET 105 N 4.08 3.20 -1.01 4.98 -2.45 -0.47 -4.77 119.30 122.86 1mut s MET 105 Ca 0.34 -0.45 -0.15 0.00 -1.25 0.00 0.00 55.69 54.18 1mut s MET 105 Cb -0.11 -2.82 0.19 0.00 1.25 0.00 0.00 34.83 33.33 1mut s MET 105 CO 0.22 0.54 1.12 -1.54 1.05 0.00 0.00 175.02 176.41 1mut s SER 106 N -0.45 6.90 -0.10 1.11 1.04 -1.26 -2.18 113.70 118.76 1mut s SER 106 Ca 0.08 -2.71 -0.22 0.00 0.48 0.00 0.00 55.95 53.57 1mut s SER 106 Cb -0.12 -2.32 -0.19 0.00 0.10 0.00 0.00 66.02 63.49 1mut s SER 106 CO 0.02 -0.73 0.74 -0.07 0.98 0.00 0.00 173.24 174.18 1mut h LEU 107 N 8.96 -0.05 0.92 2.42 3.38 -1.97 -3.48 115.31 125.50 1mut h LEU 107 Ca 0.19 -0.63 -0.16 0.00 0.09 0.00 0.00 57.88 57.37 1mut h LEU 107 Cb 0.96 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1mut h LEU 107 CO 1.04 0.71 -0.19 0.55 0.09 0.00 0.00 178.44 180.64 1mut n VAL 108 N -4.74 -0.27 0.00 1.22 3.14 -1.26 -4.73 118.33 111.68 1mut n VAL 108 Ca -0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 1mut n VAL 108 Cb 0.33 -1.33 0.00 0.00 -1.06 0.00 0.00 33.84 31.77 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 -1.28 -0.11 3.02 7.55 0.00 -1.26 -5.14 105.19 107.98 1mut n GLY 109 Ca -0.09 0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1mut n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mut n LEU 110 N 0.00 -2.06 -3.59 0.99 4.77 -1.26 -4.97 117.00 110.88 1mut n LEU 110 Ca 0.00 0.84 -0.15 0.00 -0.03 0.00 0.00 56.01 56.67 1mut n LEU 110 Cb 0.00 -0.82 -0.06 0.00 -2.33 0.00 0.00 43.42 40.21 1mut n LEU 110 CO 0.00 -3.40 0.29 0.21 -1.33 0.00 0.00 177.39 173.16 1mut s ASN 111 N -0.91 -0.48 0.00 -1.43 2.47 -1.26 -4.43 114.94 108.91 1mut s ASN 111 Ca 0.55 0.38 0.12 0.00 0.42 0.00 0.00 52.86 54.33 1mut s ASN 111 Cb -0.68 0.47 0.59 0.00 -1.45 0.00 0.00 41.25 40.19 1mut s ASN 111 CO 0.55 -0.62 1.35 0.00 -3.72 0.00 0.00 177.10 174.65 1mut n ALA 112 N 0.79 1.67 -0.25 1.71 0.00 -1.26 -2.88 120.51 120.29 1mut n ALA 112 Ca -0.19 -0.05 -0.06 0.00 0.00 0.00 0.00 53.44 53.14 1mut n ALA 112 Cb 0.58 -1.20 0.05 0.00 0.00 0.00 0.00 19.45 18.88 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 0.00 0.83 0.88 0.00 1.82 -1.96 -0.77 116.42 117.22 1mut h ASP 113 Ca 0.00 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 1mut h ASP 113 Cb 0.16 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 39.96 1mut h ASP 113 CO 0.00 0.66 0.00 -0.67 -1.61 0.00 0.00 179.24 177.62 1mut n ASP 114 N -4.54 0.00 -4.83 2.28 2.03 -1.14 -4.74 116.55 105.61 1mut n ASP 114 Ca 0.06 0.38 -0.37 0.00 0.52 0.00 0.00 54.79 55.38 1mut n ASP 114 Cb 0.06 -0.46 -0.06 0.00 -0.72 0.00 0.00 41.12 39.94 1mut n ASP 114 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1mut s PHE 115 N -2.92 3.58 0.89 -0.67 0.40 -0.29 -1.85 117.98 117.11 1mut s PHE 115 Ca 0.16 0.59 -0.11 0.00 -0.60 0.00 0.00 56.93 56.96 1mut s PHE 115 Cb 0.18 -2.08 0.13 0.00 0.51 0.00 0.00 43.02 41.76 1mut s PHE 115 CO 0.49 0.60 1.09 -1.25 0.70 0.00 0.00 175.22 176.86 1mut s PRO 116 N -0.67 1.29 -0.03 0.24 0.04 -1.26 -4.87 135.00 129.74 1mut s PRO 116 Ca 0.16 0.92 -0.30 0.00 0.04 0.00 0.00 61.00 61.82 1mut s PRO 116 Cb -0.13 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 1mut s PRO 116 CO 0.05 -2.24 1.85 -1.25 0.04 0.00 0.00 177.00 175.44 1mut s PRO 117 N -4.89 4.07 0.00 0.56 0.04 -1.26 -4.06 135.00 129.46 1mut s PRO 117 Ca 0.63 2.36 0.00 0.00 0.04 0.00 0.00 61.00 64.04 1mut s PRO 117 Cb -0.18 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.25 1mut s PRO 117 CO 0.57 -1.01 0.00 0.00 0.04 0.00 0.00 177.00 176.60 1mut n ALA 118 N 7.71 0.00 -1.51 8.56 0.00 -1.26 -4.96 120.51 129.05 1mut n ALA 118 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.35 1mut n ALA 118 Cb 0.42 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.95 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 6.25 -0.08 0.00 3.02 -1.26 -4.68 115.26 118.51 1mut n ASN 119 Ca 0.00 -3.77 -0.05 0.00 -0.03 0.00 0.00 54.58 50.74 1mut n ASN 119 Cb 0.00 -0.78 0.16 0.00 -0.61 0.00 0.00 39.78 38.55 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 1.88 0.74 -0.49 3.52 5.08 -1.93 0.11 114.58 123.49 1mut h GLU 120 Ca 0.52 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 1mut h GLU 120 Cb 1.24 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1mut h GLU 120 CO 1.25 0.80 0.13 -1.35 -1.00 0.00 0.00 179.01 178.83 1mut h PRO 121 N 0.68 0.74 0.02 2.33 0.11 -1.96 -0.20 132.00 133.73 1mut h PRO 121 Ca 0.12 -0.14 -0.38 0.00 0.11 0.00 0.00 66.00 65.71 1mut h PRO 121 Cb 0.53 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 31.46 1mut h PRO 121 CO 0.03 0.67 -2.40 0.28 -0.21 0.00 0.00 178.00 176.37 1mut n VAL 122 N -4.30 1.53 0.16 3.15 0.31 -1.20 -4.18 118.33 113.79 1mut n VAL 122 Ca 0.03 -0.60 0.10 0.00 -0.01 0.00 0.00 64.34 63.87 1mut n VAL 122 Cb 0.21 -1.40 0.62 0.00 -0.91 0.00 0.00 33.84 32.36 1mut n VAL 122 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1mut h ILE 123 N 0.01 0.95 0.00 2.52 1.08 -1.01 -0.50 117.51 120.56 1mut h ILE 123 Ca -0.55 -0.02 -0.07 0.00 -0.39 0.00 0.00 64.86 63.82 1mut h ILE 123 Cb 1.94 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 36.55 1mut h ILE 123 CO -0.06 0.01 -0.33 0.00 -0.69 0.00 0.00 178.15 177.09 1mut h ALA 124 N 1.90 1.10 0.14 1.87 0.00 -1.19 -2.84 119.26 120.24 1mut h ALA 124 Ca 0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1mut h ALA 124 Cb 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1mut h ALA 124 CO -0.01 0.41 -0.07 -0.22 0.00 0.00 0.00 179.25 179.36 1mut h LYS 125 N 0.00 -0.18 -0.13 0.00 1.63 -1.25 -3.25 116.57 113.38 1mut h LYS 125 Ca -0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1mut h LYS 125 Cb 0.77 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 1mut h LYS 125 CO 0.04 0.10 0.00 1.47 -3.45 0.00 0.00 179.45 177.62 1mut n LEU 126 N -4.88 0.13 -0.29 5.20 -0.00 -1.16 -3.78 117.00 112.21 1mut n LEU 126 Ca -0.05 -0.07 0.10 0.00 -0.00 0.00 0.00 56.01 56.00 1mut n LEU 126 Cb 0.18 -0.07 0.26 0.00 -0.00 0.00 0.00 43.42 43.80 1mut n LEU 126 CO 0.15 0.03 1.05 0.11 -0.00 0.00 0.00 177.39 178.73 1mut h LYS 127 N 0.05 0.44 -1.42 1.47 1.57 -1.54 -0.50 116.57 116.64 1mut h LYS 127 Ca 0.00 -0.03 -0.66 0.00 -1.87 0.00 0.00 60.65 58.10 1mut h LYS 127 Cb 0.07 -0.10 -0.35 0.00 0.08 0.00 0.00 32.23 31.93 1mut h LYS 127 CO 0.00 0.29 0.13 2.89 -0.57 0.00 0.00 179.45 182.19 1mut n ARG 128 N -5.00 3.11 0.00 3.15 1.85 -1.25 -4.15 116.66 114.37 1mut n ARG 128 Ca 0.19 -3.90 0.00 0.00 -1.00 0.00 0.00 57.85 53.15 1mut n ARG 128 Cb 0.56 -2.27 0.00 0.00 -1.05 0.00 0.00 32.46 29.70 1mut n ARG 128 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90