#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 0.09 -2.80 2.12 0.00 -1.26 -4.06 118.16 112.25 1mut n LYS 2 Ca 0.00 -0.23 -0.08 0.00 -0.00 0.00 0.00 58.31 58.00 1mut n LYS 2 Cb 0.00 0.38 0.02 0.00 -0.00 0.00 0.00 35.03 35.43 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 -0.10 0.66 -3.76 -1.58 4.81 -1.26 -4.73 118.16 112.20 1mut n LYS 3 Ca -0.05 -1.97 -0.29 0.00 -0.87 0.00 0.00 58.31 55.13 1mut n LYS 3 Cb 0.42 -1.46 -0.15 0.00 0.02 0.00 0.00 35.03 33.85 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 -0.09 2.03 0.08 3.14 2.96 -1.20 -5.02 118.68 120.59 1mut s LEU 4 Ca 0.31 -1.39 0.08 0.00 -0.22 0.00 0.00 54.13 52.91 1mut s LEU 4 Cb 0.13 -0.84 -0.03 0.00 0.50 0.00 0.00 46.19 45.95 1mut s LEU 4 CO -0.16 -0.37 -0.20 -1.10 -1.32 0.00 0.00 176.35 173.19 1mut s GLN 5 N 1.65 1.18 0.55 1.98 -0.21 -1.26 -1.30 119.66 122.25 1mut s GLN 5 Ca 0.05 -1.08 0.07 0.00 0.02 0.00 0.00 55.36 54.42 1mut s GLN 5 Cb -0.17 -1.39 0.05 0.00 1.00 0.00 0.00 33.01 32.50 1mut s GLN 5 CO -0.19 0.33 0.51 0.42 -2.12 0.00 0.00 175.29 174.24 1mut s ILE 6 N -1.06 1.81 -0.31 1.08 -1.09 -0.90 -1.17 121.20 119.56 1mut s ILE 6 Ca 0.06 -1.35 -0.02 0.00 -2.23 0.00 0.00 60.65 57.11 1mut s ILE 6 Cb -0.10 -2.16 0.11 0.00 -1.58 0.00 0.00 42.46 38.73 1mut s ILE 6 CO 0.03 0.00 0.16 0.00 -1.23 0.00 0.00 174.94 173.90 1mut s ALA 7 N -2.74 0.80 -0.05 9.38 0.00 -1.26 -4.25 121.76 123.64 1mut s ALA 7 Ca 0.42 -1.40 0.06 0.00 0.00 0.00 0.00 51.96 51.04 1mut s ALA 7 Cb -0.03 -1.48 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 1mut s ALA 7 CO 0.26 -1.80 -0.23 0.54 0.00 0.00 0.00 175.76 174.52 1mut s VAL 8 N 1.71 1.93 -0.19 0.00 0.11 -1.24 -3.27 120.40 119.45 1mut s VAL 8 Ca 0.12 -1.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.18 1mut s VAL 8 Cb -0.18 -1.63 0.04 0.00 -1.53 0.00 0.00 36.38 33.07 1mut s VAL 8 CO -0.24 0.54 -0.12 -0.83 -3.33 0.00 0.00 175.10 171.12 1mut s GLY 9 N -0.13 1.30 0.50 6.54 0.00 -1.26 -3.08 107.32 111.18 1mut s GLY 9 Ca -0.04 -1.21 -0.10 0.00 0.00 0.00 0.00 44.72 43.38 1mut s GLY 9 CO 0.03 0.60 0.87 -0.42 0.00 0.00 0.00 173.10 174.18 1mut s ILE 10 N 1.37 4.78 0.08 0.90 1.01 -0.59 -4.08 121.20 124.67 1mut s ILE 10 Ca 0.00 0.61 0.07 0.00 0.00 0.00 0.00 60.65 61.33 1mut s ILE 10 Cb -0.15 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1mut s ILE 10 CO -0.09 -0.81 -0.18 -0.63 0.00 0.00 0.00 174.94 173.23 1mut s ILE 11 N -2.73 1.45 -0.23 2.92 1.01 -1.26 -2.13 121.20 120.23 1mut s ILE 11 Ca 0.52 -1.35 -0.05 0.00 0.00 0.00 0.00 60.65 59.76 1mut s ILE 11 Cb -0.10 -1.33 0.12 0.00 0.01 0.00 0.00 42.46 41.15 1mut s ILE 11 CO 0.42 -0.06 0.44 -0.60 0.00 0.00 0.00 174.94 175.14 1mut s ARG 12 N -1.66 0.37 0.00 2.79 3.52 -1.23 -2.11 118.95 120.64 1mut s ARG 12 Ca 0.03 0.91 0.00 0.00 -0.13 0.00 0.00 55.73 56.54 1mut s ARG 12 Cb -0.10 0.14 0.00 0.00 -1.56 0.00 0.00 34.95 33.44 1mut s ARG 12 CO 0.03 -0.41 0.00 -1.71 -0.81 0.00 0.00 175.30 172.40 1mut n ASN 13 N 5.39 0.00 -0.21 -2.12 2.85 -1.20 -3.90 115.26 116.06 1mut n ASN 13 Ca -0.07 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.54 1mut n ASN 13 Cb 0.50 0.00 0.42 0.00 1.24 0.00 0.00 39.78 41.94 1mut n ASN 13 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1mut n GLU 14 N 0.00 0.78 -0.98 1.20 1.02 -1.26 -3.79 120.64 117.61 1mut n GLU 14 Ca 0.00 -0.43 -0.21 0.00 -0.02 0.00 0.00 57.16 56.51 1mut n GLU 14 Cb 0.00 -1.49 0.11 0.00 -0.02 0.00 0.00 31.44 30.03 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 -0.74 4.84 -3.62 1.62 5.15 -1.26 -4.86 115.26 116.40 1mut n ASN 15 Ca 0.12 -3.27 -0.28 0.00 -0.60 0.00 0.00 54.58 50.55 1mut n ASN 15 Cb 0.33 -0.85 -0.06 0.00 -0.53 0.00 0.00 39.78 38.68 1mut n ASN 15 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1mut n ASN 16 N -0.56 -0.98 -4.21 1.20 4.13 -1.25 -4.80 115.26 108.80 1mut n ASN 16 Ca 0.45 -0.86 -0.32 0.00 1.68 0.00 0.00 54.58 55.53 1mut n ASN 16 Cb 1.09 -1.10 -0.17 0.00 -1.54 0.00 0.00 39.78 38.07 1mut n ASN 16 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1mut s GLU 17 N -5.40 3.05 0.08 3.52 2.02 -1.25 -1.29 118.70 119.43 1mut s GLU 17 Ca 0.49 -0.87 0.03 0.00 0.02 0.00 0.00 54.97 54.64 1mut s GLU 17 Cb -0.29 -2.34 -0.04 0.00 0.10 0.00 0.00 34.13 31.57 1mut s GLU 17 CO 0.70 0.13 0.08 0.96 0.02 0.00 0.00 175.26 177.15 1mut s ILE 18 N 0.45 4.50 -1.09 -1.63 -0.00 -1.24 -3.27 121.20 118.92 1mut s ILE 18 Ca -0.16 -0.79 -0.11 0.00 -0.00 0.00 0.00 60.65 59.59 1mut s ILE 18 Cb -0.17 -3.17 0.25 0.00 -0.00 0.00 0.00 42.46 39.37 1mut s ILE 18 CO 0.06 0.12 1.12 0.12 -0.00 0.00 0.00 174.94 176.36 1mut s PHE 19 N -1.40 4.07 0.00 1.37 5.36 -0.90 -0.49 117.98 126.00 1mut s PHE 19 Ca 0.29 -2.49 0.00 0.00 -0.96 0.00 0.00 56.93 53.77 1mut s PHE 19 Cb -0.12 -3.92 0.00 0.00 -0.34 0.00 0.00 43.02 38.64 1mut s PHE 19 CO 0.22 -1.03 0.00 1.51 -1.46 0.00 0.00 175.22 174.45 1mut n ILE 20 N 3.21 0.00 -4.50 3.12 0.13 -0.07 -4.38 119.36 116.87 1mut n ILE 20 Ca 0.24 0.00 -0.24 0.00 -1.10 0.00 0.00 62.75 61.66 1mut n ILE 20 Cb 0.41 -1.06 -0.11 0.00 -0.84 0.00 0.00 39.64 38.04 1mut n ILE 20 CO 0.00 0.00 0.00 -0.89 2.80 0.00 0.00 176.55 178.46 1mut s THR 21 N 1.45 1.53 0.00 9.51 2.01 -1.26 -1.13 115.64 127.75 1mut s THR 21 Ca 0.00 -2.02 0.00 0.00 0.31 0.00 0.00 61.69 59.98 1mut s THR 21 Cb 0.00 -2.81 0.00 0.00 0.01 0.00 0.00 72.50 69.70 1mut s THR 21 CO 0.00 -0.04 0.00 -1.14 -0.69 0.00 0.00 174.62 172.75 1mut n ARG 22 N -0.77 0.00 -1.45 4.92 0.63 -1.26 -4.22 116.66 114.52 1mut n ARG 22 Ca -0.04 0.00 -0.46 0.00 -0.92 0.00 0.00 57.85 56.44 1mut n ARG 22 Cb 0.66 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.46 1mut n ARG 22 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1mut n ARG 23 N 0.00 0.29 -0.75 -0.14 1.85 -1.15 -4.66 116.66 112.09 1mut n ARG 23 Ca 0.00 0.04 0.02 0.00 -1.00 0.00 0.00 57.85 56.90 1mut n ARG 23 Cb 0.00 -1.90 0.02 0.00 -1.05 0.00 0.00 32.46 29.53 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 10.53 2.14 0.00 2.89 0.00 -1.26 -4.95 120.51 129.86 1mut n ALA 24 Ca 0.56 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1mut n ALA 24 Cb 0.11 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 0.04 0.00 -3.44 0.00 0.00 -1.26 -5.03 120.51 110.82 1mut n ALA 25 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.19 1mut n ALA 25 Cb 0.82 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.29 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 -5.91 -2.84 0.00 8.00 -1.26 -4.97 116.55 109.57 1mut n ASP 26 Ca 0.00 -0.23 -0.00 0.00 0.71 0.00 0.00 54.79 55.27 1mut n ASP 26 Cb 0.00 -2.53 0.01 0.00 -0.02 0.00 0.00 41.12 38.58 1mut n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mut s ALA 27 N -2.13 -3.77 -0.10 2.24 0.00 -1.26 -5.01 121.76 111.73 1mut s ALA 27 Ca 0.24 0.72 0.04 0.00 0.00 0.00 0.00 51.96 52.97 1mut s ALA 27 Cb -0.03 -2.92 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 1mut s ALA 27 CO 0.86 -2.42 0.13 0.72 0.00 0.00 0.00 175.76 175.05 1mut n HIS 28 N 3.52 0.00 -4.32 0.00 8.25 -1.26 -4.45 115.22 116.96 1mut n HIS 28 Ca 0.09 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.21 1mut n HIS 28 Cb 0.62 -0.04 -0.10 0.00 1.12 0.00 0.00 29.99 31.58 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 -1.75 3.40 0.00 -0.41 0.00 -1.26 -4.40 119.30 114.88 1mut s MET 29 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 55.69 55.25 1mut s MET 29 Cb 0.03 -2.91 0.00 0.00 0.00 0.00 0.00 34.83 31.95 1mut s MET 29 CO 0.16 0.46 0.00 0.00 0.00 0.00 0.00 175.02 175.64 1mut n ALA 30 N 2.88 0.00 -2.21 4.11 0.00 -1.26 -4.74 120.51 119.29 1mut n ALA 30 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1mut n ALA 30 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 0.18 -9.22 -4.03 0.00 3.02 -1.26 -4.98 115.26 98.97 1mut n ASN 31 Ca 0.00 1.60 -0.21 0.00 -0.03 0.00 0.00 54.58 55.93 1mut n ASN 31 Cb 0.00 -5.18 -0.15 0.00 -0.61 0.00 0.00 39.78 33.83 1mut n ASN 31 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1mut s LYS 32 N -0.55 1.09 0.36 3.52 -0.14 -1.26 -4.87 119.74 117.89 1mut s LYS 32 Ca 0.00 -0.37 0.06 0.00 -1.36 0.00 0.00 55.97 54.30 1mut s LYS 32 Cb 0.00 -1.01 -0.02 0.00 -1.68 0.00 0.00 37.83 35.12 1mut s LYS 32 CO 0.00 0.15 0.22 1.47 -0.76 0.00 0.00 175.35 176.42 1mut n LEU 33 N 3.22 0.00 0.00 3.17 -0.00 -1.22 -2.94 117.00 119.23 1mut n LEU 33 Ca -0.18 -3.11 0.00 0.00 -0.00 0.00 0.00 56.01 52.72 1mut n LEU 33 Cb 0.54 1.36 0.00 0.00 -0.00 0.00 0.00 43.42 45.32 1mut n LEU 33 CO 0.25 -0.50 0.00 1.21 -0.00 0.00 0.00 177.39 178.35 1mut n GLU 34 N -0.76 0.00 -3.90 1.47 2.13 -1.26 -4.01 120.64 114.31 1mut n GLU 34 Ca 0.01 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.53 1mut n GLU 34 Cb 0.60 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.17 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 -1.88 2.97 0.00 4.31 0.40 -1.26 -4.16 117.98 118.36 1mut s PHE 35 Ca 0.00 -2.86 0.00 0.00 -0.60 0.00 0.00 56.93 53.47 1mut s PHE 35 Cb 0.00 -2.57 0.00 0.00 0.51 0.00 0.00 43.02 40.96 1mut s PHE 35 CO 0.00 -0.81 0.00 -2.30 0.70 0.00 0.00 175.22 172.81 1mut n PRO 36 N 3.63 1.90 -0.01 0.24 -0.02 -1.26 -4.73 135.00 134.76 1mut n PRO 36 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1mut n PRO 36 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.84 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 0.82 0.78 -1.23 0.00 -1.25 -3.71 105.19 100.60 1mut n GLY 37 Ca 0.00 -1.70 -0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 0.74 0.48 -0.02 0.00 -1.20 -4.87 105.19 100.31 1mut n GLY 38 Ca 0.00 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 45.91 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 0.10 -1.11 -3.87 1.61 4.81 -1.26 -4.87 118.16 113.58 1mut n LYS 39 Ca -0.03 0.90 -0.35 0.00 -0.87 0.00 0.00 58.31 57.96 1mut n LYS 39 Cb 0.73 -1.29 -0.09 0.00 0.02 0.00 0.00 35.03 34.40 1mut n LYS 39 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1mut s ILE 40 N -3.38 5.06 0.00 3.15 2.07 -0.32 -4.29 121.20 123.48 1mut s ILE 40 Ca 0.00 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.30 1mut s ILE 40 Cb 0.00 -3.30 0.00 0.00 0.13 0.00 0.00 42.46 39.29 1mut s ILE 40 CO 0.00 0.44 0.00 -0.62 -1.91 0.00 0.00 174.94 172.85 1mut n GLU 41 N 3.63 0.00 -3.58 3.50 1.02 -1.26 -4.83 120.64 119.12 1mut n GLU 41 Ca -0.16 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.57 1mut n GLU 41 Cb 0.52 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.83 1mut n GLU 41 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1mut s MET 42 N -0.95 2.79 0.00 3.49 -1.94 -1.26 -5.01 119.30 116.42 1mut s MET 42 Ca 0.00 -1.18 0.00 0.00 -1.71 0.00 0.00 55.69 52.80 1mut s MET 42 Cb 0.00 -3.78 0.00 0.00 2.01 0.00 0.00 34.83 33.06 1mut s MET 42 CO 0.00 -0.78 0.00 0.41 -0.01 0.00 0.00 175.02 174.64 1mut n GLY 43 N 5.00 2.15 0.00 -0.03 0.00 -1.26 -4.43 105.19 106.62 1mut n GLY 43 Ca -0.11 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.34 2.69 -4.13 1.61 2.13 -1.26 -4.80 120.64 116.54 1mut n GLU 44 Ca 0.00 -0.01 -0.15 0.00 0.66 0.00 0.00 57.16 57.66 1mut n GLU 44 Cb 0.00 -1.11 -0.05 0.00 0.27 0.00 0.00 31.44 30.55 1mut n GLU 44 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1mut s THR 45 N -2.23 0.00 -1.51 6.31 -4.23 -1.26 -5.01 115.64 107.71 1mut s THR 45 Ca 0.04 -1.69 0.22 0.00 -1.18 0.00 0.00 61.69 59.09 1mut s THR 45 Cb 0.09 -2.57 0.42 0.00 1.34 0.00 0.00 72.50 71.79 1mut s THR 45 CO 0.52 0.00 1.72 -0.81 -0.54 0.00 0.00 174.62 175.51 1mut n PRO 46 N -0.54 0.37 -0.09 3.99 -0.04 -1.26 -1.91 135.00 135.53 1mut n PRO 46 Ca 0.02 0.07 -0.12 0.00 -0.04 0.00 0.00 63.50 63.43 1mut n PRO 46 Cb 0.62 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.25 0.78 0.11 0.54 1.02 -1.26 -4.19 120.64 116.39 1mut n GLU 47 Ca 0.11 0.08 -0.09 0.00 -0.02 0.00 0.00 57.16 57.24 1mut n GLU 47 Cb 0.16 -1.38 -0.05 0.00 -0.02 0.00 0.00 31.44 30.15 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 0.00 -0.35 -0.91 3.49 4.20 -1.94 0.16 115.11 119.77 1mut h GLN 48 Ca -0.42 0.02 0.25 0.00 0.06 0.00 0.00 58.65 58.56 1mut h GLN 48 Cb 1.73 0.08 -0.14 0.00 0.30 0.00 0.00 27.48 29.45 1mut h GLN 48 CO -0.04 -0.07 0.34 0.00 -0.67 0.00 0.00 178.83 178.39 1mut h ALA 49 N -0.76 1.45 0.00 3.87 0.00 -1.59 0.74 119.26 122.96 1mut h ALA 49 Ca -0.04 0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 1mut h ALA 49 Cb 0.44 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1mut h ALA 49 CO 0.06 -0.45 -0.76 -0.24 0.00 0.00 0.00 179.25 177.87 1mut h VAL 50 N 0.29 1.31 0.31 0.00 3.04 -1.72 -0.40 116.25 119.07 1mut h VAL 50 Ca 0.59 -2.83 0.00 0.00 -1.01 0.00 0.00 66.70 63.45 1mut h VAL 50 Cb 1.20 2.63 -0.03 0.00 -2.01 0.00 0.00 31.29 33.08 1mut h VAL 50 CO -0.61 0.74 -0.42 1.62 -1.01 0.00 0.00 177.57 177.89 1mut h VAL 51 N 0.00 0.15 0.00 1.51 3.04 0.35 -1.11 116.25 120.19 1mut h VAL 51 Ca -0.01 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.57 1mut h VAL 51 Cb 1.57 0.15 -0.02 0.00 -2.01 0.00 0.00 31.29 30.98 1mut h VAL 51 CO 0.10 0.00 -0.60 -0.09 -1.01 0.00 0.00 177.57 175.96 1mut h ARG 52 N -0.78 0.00 0.04 4.17 2.43 -1.35 -3.21 114.38 115.68 1mut h ARG 52 Ca -0.02 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.91 1mut h ARG 52 Cb 0.73 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1mut h ARG 52 CO -0.13 0.47 -1.15 1.05 -1.51 0.00 0.00 179.97 178.70 1mut h GLU 53 N 0.00 0.08 0.19 0.20 -0.00 -0.87 -2.86 114.58 111.32 1mut h GLU 53 Ca -0.02 -0.14 -0.26 0.00 -0.00 0.00 0.00 59.36 58.94 1mut h GLU 53 Cb 1.40 0.05 0.03 0.00 -0.00 0.00 0.00 28.75 30.23 1mut h GLU 53 CO 0.06 1.02 -1.13 1.25 -0.00 0.00 0.00 179.01 180.21 1mut h LEU 54 N 0.02 0.66 -0.89 3.06 7.12 -1.34 -3.06 115.31 120.88 1mut h LEU 54 Ca -0.08 -0.93 -0.10 0.00 0.13 0.00 0.00 57.88 56.90 1mut h LEU 54 Cb 1.85 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 41.76 1mut h LEU 54 CO 0.15 1.54 -0.31 1.56 -0.13 0.00 0.00 178.44 181.26 1mut h GLN 55 N -0.11 0.45 0.00 1.25 4.20 -1.68 -1.31 115.11 117.91 1mut h GLN 55 Ca -0.20 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1mut h GLN 55 Cb 1.89 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.65 1mut h GLN 55 CO 0.21 0.71 0.00 0.39 -0.67 0.00 0.00 178.83 179.48 1mut n GLU 56 N -4.09 0.03 -0.05 1.46 -0.58 -1.08 -1.49 120.64 114.84 1mut n GLU 56 Ca -0.01 0.08 -0.05 0.00 -0.42 0.00 0.00 57.16 56.77 1mut n GLU 56 Cb 0.44 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.79 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 -1.48 0.30 -0.08 3.49 4.71 -0.87 -4.80 120.64 121.89 1mut n GLU 57 Ca 0.06 0.12 -0.07 0.00 -0.01 0.00 0.00 57.16 57.25 1mut n GLU 57 Cb 0.27 -1.01 -0.15 0.00 -1.01 0.00 0.00 31.44 29.55 1mut n GLU 57 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 1mut n VAL 58 N -3.63 1.16 -3.39 2.62 0.24 -0.55 -4.66 118.33 110.12 1mut n VAL 58 Ca -0.08 -0.75 -0.17 0.00 -2.04 0.00 0.00 64.34 61.30 1mut n VAL 58 Cb 0.29 -0.46 0.08 0.00 -1.47 0.00 0.00 33.84 32.28 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 1.82 -0.64 0.00 7.63 0.00 -0.55 -5.00 105.19 108.46 1mut n GLY 59 Ca -0.28 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1mut n GLY 59 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1mut n ILE 60 N -3.84 0.00 -3.53 -0.61 5.41 -1.26 -4.99 119.36 110.54 1mut n ILE 60 Ca -0.21 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.24 1mut n ILE 60 Cb 0.65 -1.38 -0.13 0.00 -0.71 0.00 0.00 39.64 38.08 1mut n ILE 60 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1mut s THR 61 N 0.68 0.41 0.79 1.39 2.01 -1.26 -4.93 115.64 114.73 1mut s THR 61 Ca 0.00 -1.81 -0.13 0.00 0.31 0.00 0.00 61.69 60.07 1mut s THR 61 Cb 0.00 -1.31 0.07 0.00 0.01 0.00 0.00 72.50 71.28 1mut s THR 61 CO 0.00 -0.94 1.16 -2.16 -0.69 0.00 0.00 174.62 171.99 1mut s PRO 62 N 1.02 1.86 0.00 4.92 0.04 -1.26 0.99 135.00 142.57 1mut s PRO 62 Ca 0.17 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1mut s PRO 62 Cb -0.23 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1mut s PRO 62 CO -0.03 -2.00 0.00 1.04 0.04 0.00 0.00 177.00 176.05 1mut n GLN 63 N -3.33 0.00 -3.34 4.56 6.02 -0.67 -4.77 117.38 115.85 1mut n GLN 63 Ca 0.12 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.00 1mut n GLN 63 Cb 0.52 -0.71 -0.07 0.00 1.02 0.00 0.00 30.24 30.99 1mut n GLN 63 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1mut s HIS 64 N -1.98 -0.84 0.29 1.08 2.46 -1.23 -5.03 115.29 110.04 1mut s HIS 64 Ca 0.00 0.45 0.02 0.00 0.47 0.00 0.00 55.06 56.00 1mut s HIS 64 Cb 0.00 -0.14 -0.04 0.00 -0.13 0.00 0.00 32.58 32.27 1mut s HIS 64 CO 0.00 -0.86 0.13 -0.59 -2.47 0.00 0.00 174.74 170.94 1mut s PHE 65 N 2.51 1.58 -0.03 3.88 -0.71 -1.26 -3.29 117.98 120.66 1mut s PHE 65 Ca 0.11 -1.27 -0.30 0.00 -1.04 0.00 0.00 56.93 54.43 1mut s PHE 65 Cb -0.14 -0.89 0.08 0.00 -1.21 0.00 0.00 43.02 40.86 1mut s PHE 65 CO -0.24 -0.42 0.72 0.45 -1.34 0.00 0.00 175.22 174.39 1mut s SER 66 N -3.35 -0.59 -0.60 1.98 0.15 -1.25 -4.98 113.70 105.05 1mut s SER 66 Ca 0.36 0.53 -0.27 0.00 0.70 0.00 0.00 55.95 57.28 1mut s SER 66 Cb 0.06 0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 64.86 1mut s SER 66 CO 0.15 -0.63 1.82 -0.22 1.20 0.00 0.00 173.24 175.57 1mut s LEU 67 N -1.48 3.30 0.00 3.45 2.96 -1.26 -3.35 118.68 122.30 1mut s LEU 67 Ca -0.07 0.35 0.00 0.00 -0.22 0.00 0.00 54.13 54.19 1mut s LEU 67 Cb -0.00 -2.59 0.00 0.00 0.50 0.00 0.00 46.19 44.09 1mut s LEU 67 CO 0.04 -2.31 0.63 0.33 -1.32 0.00 0.00 176.35 173.72 1mut n PHE 68 N 12.42 0.00 -3.28 5.38 7.35 -0.92 -4.78 117.46 133.63 1mut n PHE 68 Ca 0.20 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.92 1mut n PHE 68 Cb 0.52 -0.13 -0.03 0.00 0.35 0.00 0.00 39.48 40.19 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 -1.51 0.31 0.57 -4.13 2.12 -1.23 -5.02 118.70 109.81 1mut s GLU 69 Ca 0.00 0.67 -0.06 0.00 0.36 0.00 0.00 54.97 55.94 1mut s GLU 69 Cb 0.00 0.39 -0.00 0.00 0.26 0.00 0.00 34.13 34.78 1mut s GLU 69 CO 0.00 -0.23 0.88 -1.59 -0.54 0.00 0.00 175.26 173.78 1mut s LYS 70 N 2.71 3.07 0.00 4.30 0.00 -1.26 -4.39 119.74 124.17 1mut s LYS 70 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 55.97 56.04 1mut s LYS 70 Cb -0.09 -2.29 0.00 0.00 0.00 0.00 0.00 37.83 35.45 1mut s LYS 70 CO -0.16 -0.59 0.00 1.47 0.00 0.00 0.00 175.35 176.07 1mut n LEU 71 N -2.52 0.00 -3.69 2.77 -0.00 -1.15 -4.88 117.00 107.53 1mut n LEU 71 Ca 0.04 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.90 1mut n LEU 71 Cb 0.57 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.91 1mut n LEU 71 CO 0.53 0.00 0.17 -0.70 -0.00 0.00 0.00 177.39 177.39 1mut s GLU 72 N -0.71 0.71 0.27 1.47 2.12 -1.26 -3.82 118.70 117.48 1mut s GLU 72 Ca 0.00 0.26 0.03 0.00 0.36 0.00 0.00 54.97 55.62 1mut s GLU 72 Cb 0.00 0.33 -0.04 0.00 0.26 0.00 0.00 34.13 34.69 1mut s GLU 72 CO 0.00 -0.17 0.20 -0.47 -0.54 0.00 0.00 175.26 174.28 1mut s TYR 73 N -0.65 1.46 -0.26 5.30 5.04 -0.86 -5.00 117.35 122.37 1mut s TYR 73 Ca -0.07 -1.50 -0.04 0.00 -2.44 0.00 0.00 57.07 53.01 1mut s TYR 73 Cb -0.03 -0.66 0.14 0.00 0.35 0.00 0.00 41.96 41.76 1mut s TYR 73 CO 0.04 -0.73 0.50 -2.00 -1.34 0.00 0.00 175.55 172.02 1mut s GLU 74 N -3.82 0.45 0.84 4.97 2.12 -1.26 -1.11 118.70 120.90 1mut s GLU 74 Ca 0.39 0.94 -0.14 0.00 0.36 0.00 0.00 54.97 56.52 1mut s GLU 74 Cb 0.05 0.24 0.19 0.00 0.26 0.00 0.00 34.13 34.87 1mut s GLU 74 CO 0.19 -0.48 1.13 1.19 -0.54 0.00 0.00 175.26 176.75 1mut n PHE 75 N 5.40 -3.99 0.61 5.30 3.01 -0.14 -4.88 117.46 122.78 1mut n PHE 75 Ca -0.05 -1.00 0.00 0.00 1.01 0.00 0.00 57.45 57.41 1mut n PHE 75 Cb 0.50 -0.88 0.00 0.00 -0.01 0.00 0.00 39.48 39.09 1mut n PHE 75 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1mut n PRO 76 N -3.44 0.66 0.00 -1.08 -0.04 -1.26 -3.82 135.00 126.01 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 0.49 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 1mut n PRO 76 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1mut n ASP 77 N 0.72 0.00 -3.36 3.54 5.75 -1.26 -5.15 116.55 116.79 1mut n ASP 77 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 54.79 54.58 1mut n ASP 77 Cb 0.33 0.21 -0.06 0.00 -1.03 0.00 0.00 41.12 40.56 1mut n ASP 77 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1mut n ARG 78 N -1.87 0.55 -3.89 0.11 1.85 -1.25 -4.36 116.66 107.80 1mut n ARG 78 Ca 0.00 -2.92 -0.36 0.00 -1.00 0.00 0.00 57.85 53.57 1mut n ARG 78 Cb 0.00 1.80 -0.13 0.00 -1.05 0.00 0.00 32.46 33.08 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 -2.94 3.04 -0.97 2.89 3.76 -1.26 -0.96 115.29 118.84 1mut s HIS 79 Ca 0.22 -0.56 -0.18 0.00 -0.15 0.00 0.00 55.06 54.40 1mut s HIS 79 Cb 0.01 -2.16 0.14 0.00 1.11 0.00 0.00 32.58 31.69 1mut s HIS 79 CO 0.16 -0.36 1.16 0.42 -0.85 0.00 0.00 174.74 175.26 1mut s ILE 80 N 1.38 4.85 -0.23 0.60 1.01 -0.27 -3.21 121.20 125.33 1mut s ILE 80 Ca 0.05 -1.83 -0.24 0.00 0.00 0.00 0.00 60.65 58.63 1mut s ILE 80 Cb -0.15 -4.78 -0.01 0.00 0.01 0.00 0.00 42.46 37.53 1mut s ILE 80 CO 0.01 -1.49 0.81 -0.89 0.00 0.00 0.00 174.94 173.38 1mut s THR 81 N 2.30 4.86 -0.03 2.92 2.01 -0.42 -2.03 115.64 125.25 1mut s THR 81 Ca 0.33 1.54 0.07 0.00 0.31 0.00 0.00 61.69 63.94 1mut s THR 81 Cb -0.05 -4.10 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 1mut s THR 81 CO -0.08 -0.05 -0.25 -0.22 -0.69 0.00 0.00 174.62 173.34 1mut s LEU 82 N 2.70 2.05 0.40 4.42 0.20 -1.25 -2.11 118.68 125.09 1mut s LEU 82 Ca 0.35 -0.47 0.03 0.00 0.69 0.00 0.00 54.13 54.73 1mut s LEU 82 Cb -0.15 -1.30 -0.00 0.00 -0.43 0.00 0.00 46.19 44.30 1mut s LEU 82 CO 0.08 0.28 0.58 0.26 -0.29 0.00 0.00 176.35 177.27 1mut s TRP 83 N -0.42 3.14 -0.53 5.38 0.52 -1.26 -2.93 118.94 122.85 1mut s TRP 83 Ca 0.05 -0.00 0.06 0.00 0.02 0.00 0.00 56.10 56.22 1mut s TRP 83 Cb -0.11 -2.20 0.21 0.00 -1.15 0.00 0.00 33.47 30.22 1mut s TRP 83 CO 0.01 -0.24 0.53 1.19 0.02 0.00 0.00 176.95 178.46 1mut n PHE 84 N -1.89 1.30 -2.55 -1.98 3.01 -1.26 -4.47 117.46 109.62 1mut n PHE 84 Ca 0.01 -3.81 -0.41 0.00 1.01 0.00 0.00 57.45 54.25 1mut n PHE 84 Cb 0.58 -0.31 -0.02 0.00 -0.01 0.00 0.00 39.48 39.72 1mut n PHE 84 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1mut s TRP 85 N -1.28 2.60 -0.53 1.38 0.51 -1.18 -2.17 118.94 118.28 1mut s TRP 85 Ca 0.34 -1.07 -0.23 0.00 -2.12 0.00 0.00 56.10 53.02 1mut s TRP 85 Cb 0.09 -4.70 0.04 0.00 -0.81 0.00 0.00 33.47 28.09 1mut s TRP 85 CO -0.12 -1.88 0.85 -1.17 -0.51 0.00 0.00 176.95 174.12 1mut s LEU 86 N 4.89 4.32 0.79 2.99 2.96 -1.21 -1.54 118.68 131.87 1mut s LEU 86 Ca 0.49 -0.44 -0.06 0.00 -0.22 0.00 0.00 54.13 53.90 1mut s LEU 86 Cb 0.01 -2.76 0.14 0.00 0.50 0.00 0.00 46.19 44.08 1mut s LEU 86 CO -0.03 -1.11 1.10 0.68 -1.32 0.00 0.00 176.35 175.66 1mut s VAL 87 N 3.56 2.11 0.00 1.68 -7.23 -0.90 -3.78 120.40 115.84 1mut s VAL 87 Ca 0.27 -0.39 0.00 0.00 -1.81 0.00 0.00 61.98 60.05 1mut s VAL 87 Cb -0.14 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 34.08 1mut s VAL 87 CO 0.18 0.00 0.00 -0.62 -0.31 0.00 0.00 175.10 174.35 1mut n GLU 88 N -3.13 2.99 -3.80 4.82 1.02 -1.22 -3.53 120.64 117.80 1mut n GLU 88 Ca 0.14 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.16 1mut n GLU 88 Cb 0.60 -0.69 -0.09 0.00 -0.02 0.00 0.00 31.44 31.24 1mut n GLU 88 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1mut s ARG 89 N -0.96 0.57 0.05 3.49 1.81 -1.21 -4.03 118.95 118.68 1mut s ARG 89 Ca 0.00 -0.19 -0.05 0.00 -1.72 0.00 0.00 55.73 53.77 1mut s ARG 89 Cb 0.00 0.25 0.02 0.00 -0.45 0.00 0.00 34.95 34.77 1mut s ARG 89 CO 0.00 -0.15 0.22 -2.67 -0.68 0.00 0.00 175.30 172.03 1mut n TRP 90 N 1.51 -0.89 0.00 -0.53 2.14 -1.26 -1.67 117.44 116.74 1mut n TRP 90 Ca -0.21 -0.32 0.00 0.00 2.07 0.00 0.00 57.50 59.04 1mut n TRP 90 Cb 0.56 0.16 0.00 0.00 -0.81 0.00 0.00 31.31 31.22 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 -0.16 0.00 -0.60 -2.67 2.13 0.28 -4.77 120.64 114.85 1mut n GLU 91 Ca -0.01 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.68 1mut n GLU 91 Cb 0.13 -0.11 0.10 0.00 0.27 0.00 0.00 31.44 31.84 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 2.71 -2.07 0.11 8.31 0.00 -1.26 -4.90 105.19 108.08 1mut n GLY 92 Ca 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 46.02 45.47 1mut n GLY 92 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1mut h GLU 93 N -2.44 0.00 0.00 1.61 4.81 -2.01 -3.48 114.58 113.06 1mut h GLU 93 Ca -0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1mut h GLU 93 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1mut h GLU 93 CO 0.11 0.35 0.00 -0.35 -0.73 0.00 0.00 179.01 178.38 1mut n PRO 94 N -2.98 2.54 0.00 0.92 -0.04 -1.26 -4.96 135.00 129.22 1mut n PRO 94 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1mut n PRO 94 Cb 0.81 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.27 1mut n PRO 94 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1mut n TRP 95 N 0.00 0.00 0.00 0.54 -0.00 -1.26 -4.93 117.44 111.79 1mut n TRP 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1mut n TRP 95 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 1mut n TRP 95 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1mut n GLY 96 N 0.00 2.33 3.87 5.87 0.00 -1.26 -4.55 105.19 111.46 1mut n GLY 96 Ca 0.00 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 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 1.59 3.75 -0.16 1.61 2.36 -1.26 -4.69 119.74 122.93 1mut s LYS 97 Ca 0.00 0.16 -0.08 0.00 -2.55 0.00 0.00 55.97 53.50 1mut s LYS 97 Cb 0.00 -2.95 -0.04 0.00 -1.05 0.00 0.00 37.83 33.79 1mut s LYS 97 CO 0.00 0.53 0.10 -2.00 1.55 0.00 0.00 175.35 175.53 1mut s GLU 98 N -2.08 3.84 0.00 4.03 -6.30 -1.26 -4.14 118.70 112.79 1mut s GLU 98 Ca 0.35 -0.24 0.00 0.00 -2.50 0.00 0.00 54.97 52.58 1mut s GLU 98 Cb -0.14 -3.25 0.00 0.00 0.00 0.00 0.00 34.13 30.74 1mut s GLU 98 CO 0.19 0.45 0.00 0.41 0.02 0.00 0.00 175.26 176.34 1mut n GLY 99 N 3.00 1.66 3.80 -1.50 0.00 -1.26 -5.02 105.19 105.86 1mut n GLY 99 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1mut n GLY 99 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1mut s GLN 100 N -0.51 4.26 0.00 1.61 2.00 -1.26 -5.02 119.66 120.74 1mut s GLN 100 Ca 0.00 0.78 0.00 0.00 -2.00 0.00 0.00 55.36 54.14 1mut s GLN 100 Cb 0.00 -3.26 0.00 0.00 0.80 0.00 0.00 33.01 30.55 1mut s GLN 100 CO 0.00 0.58 0.56 -2.30 -0.50 0.00 0.00 175.29 173.63 1mut n PRO 101 N 1.92 0.00 -0.99 1.67 -0.02 -1.26 -4.97 135.00 131.35 1mut n PRO 101 Ca -0.09 0.13 0.12 0.00 -2.02 0.00 0.00 63.50 61.63 1mut n PRO 101 Cb 0.51 -1.06 -0.04 0.00 -0.02 0.00 0.00 33.50 32.88 1mut n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mut n GLY 102 N -0.62 -1.38 3.82 -1.23 0.00 -1.26 -5.01 105.19 99.51 1mut n GLY 102 Ca 0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.53 2.10 0.04 1.61 -1.05 -0.28 -4.91 118.70 113.68 1mut s GLU 103 Ca 0.00 -1.31 -0.08 0.00 -0.15 0.00 0.00 54.97 53.43 1mut s GLU 103 Cb 0.00 0.61 -0.05 0.00 -0.44 0.00 0.00 34.13 34.25 1mut s GLU 103 CO 0.00 -0.98 0.34 -1.58 0.95 0.00 0.00 175.26 173.99 1mut s TRP 104 N -2.71 3.58 0.34 4.83 0.52 -1.25 -0.89 118.94 123.37 1mut s TRP 104 Ca 0.14 0.68 0.03 0.00 0.02 0.00 0.00 56.10 56.98 1mut s TRP 104 Cb -0.05 -2.08 0.03 0.00 -1.15 0.00 0.00 33.47 30.22 1mut s TRP 104 CO 0.10 0.57 0.24 -0.12 0.02 0.00 0.00 176.95 177.76 1mut n MET 105 N 1.01 1.00 -1.50 4.98 1.56 0.36 -4.84 117.12 119.69 1mut n MET 105 Ca -0.10 -2.13 0.01 0.00 -0.27 0.00 0.00 57.70 55.21 1mut n MET 105 Cb 0.52 0.25 0.08 0.00 2.15 0.00 0.00 33.22 36.23 1mut n MET 105 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1mut n SER 106 N -1.86 1.77 -3.95 6.12 2.88 -1.26 -3.70 113.62 113.61 1mut n SER 106 Ca -0.02 -2.79 -0.31 0.00 -1.33 0.00 0.00 58.87 54.43 1mut n SER 106 Cb 0.39 -0.40 0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1mut n SER 106 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1mut n LEU 107 N -0.31 -0.09 -0.07 2.46 7.94 -0.41 -4.81 117.00 121.70 1mut n LEU 107 Ca 0.15 -0.86 -0.10 0.00 -1.11 0.00 0.00 56.01 54.08 1mut n LEU 107 Cb 0.93 -1.03 -0.07 0.00 0.53 0.00 0.00 43.42 43.79 1mut n LEU 107 CO 0.03 0.53 -0.98 0.52 -1.11 0.00 0.00 177.39 176.39 1mut n VAL 108 N -3.64 0.83 -2.54 1.96 0.31 -1.26 -4.83 118.33 109.16 1mut n VAL 108 Ca -0.08 -0.31 -0.01 0.00 -0.01 0.00 0.00 64.34 63.93 1mut n VAL 108 Cb 0.37 -1.04 0.04 0.00 -0.91 0.00 0.00 33.84 32.30 1mut n VAL 108 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mut n GLY 109 N 2.78 1.42 3.51 2.92 0.00 -1.26 -5.11 105.19 109.45 1mut n GLY 109 Ca -0.26 -0.54 -0.47 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.50 0.53 -3.49 0.99 4.77 -1.26 -4.96 117.00 113.09 1mut n LEU 110 Ca -0.08 1.15 -0.15 0.00 -0.03 0.00 0.00 56.01 56.91 1mut n LEU 110 Cb 0.88 -1.13 -0.04 0.00 -2.33 0.00 0.00 43.42 40.79 1mut n LEU 110 CO -0.06 -1.99 0.46 0.21 -1.33 0.00 0.00 177.39 174.67 1mut s ASN 111 N -0.59 -0.59 0.31 -1.43 3.84 -1.26 -4.82 114.94 110.40 1mut s ASN 111 Ca 0.65 0.40 0.21 0.00 0.21 0.00 0.00 52.86 54.33 1mut s ASN 111 Cb -0.84 0.54 1.13 0.00 -0.55 0.00 0.00 41.25 41.53 1mut s ASN 111 CO 0.57 -0.72 1.64 0.00 -2.79 0.00 0.00 177.10 175.80 1mut n ALA 112 N 0.37 1.07 -0.28 1.71 0.00 -1.26 -1.89 120.51 120.23 1mut n ALA 112 Ca -0.17 0.19 -0.05 0.00 0.00 0.00 0.00 53.44 53.41 1mut n ALA 112 Cb 0.60 -1.31 0.07 0.00 0.00 0.00 0.00 19.45 18.81 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 0.93 0.94 0.00 1.82 -1.96 0.42 116.42 118.57 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 0.02 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 39.79 1mut h ASP 113 CO 0.00 0.73 0.00 -0.67 -1.61 0.00 0.00 179.24 177.69 1mut n ASP 114 N -4.48 0.09 -4.34 2.28 -0.08 -0.79 -4.48 116.55 104.76 1mut n ASP 114 Ca 0.07 0.51 -0.42 0.00 -1.51 0.00 0.00 54.79 53.45 1mut n ASP 114 Cb 0.06 -0.54 -0.10 0.00 2.34 0.00 0.00 41.12 42.89 1mut n ASP 114 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1mut s PHE 115 N -3.02 3.28 0.90 -0.67 0.08 0.14 -3.38 117.98 115.32 1mut s PHE 115 Ca 0.12 -1.16 -0.15 0.00 0.12 0.00 0.00 56.93 55.86 1mut s PHE 115 Cb 0.16 -2.87 -0.03 0.00 -0.57 0.00 0.00 43.02 39.71 1mut s PHE 115 CO 0.48 -0.77 0.08 -2.30 -0.10 0.00 0.00 175.22 172.61 1mut n PRO 116 N 5.04 -0.09 -0.10 0.24 -0.02 -1.26 -4.85 135.00 133.96 1mut n PRO 116 Ca -0.11 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.29 1mut n PRO 116 Cb 0.44 -1.59 0.08 0.00 -0.02 0.00 0.00 33.50 32.42 1mut n PRO 116 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1mut n PRO 117 N -0.27 -2.16 0.00 0.52 -0.02 -1.26 -4.02 135.00 127.79 1mut n PRO 117 Ca 0.05 -0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.12 1mut n PRO 117 Cb 0.53 -0.58 0.00 0.00 -0.02 0.00 0.00 33.50 33.43 1mut n PRO 117 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mut n ALA 118 N -3.46 0.00 -2.19 3.55 0.00 -1.26 -4.77 120.51 112.38 1mut n ALA 118 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.20 1mut n ALA 118 Cb 0.17 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.65 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 0.08 4.18 0.06 0.00 3.02 -1.26 -4.82 115.26 116.53 1mut n ASN 119 Ca 0.00 -3.38 -0.07 0.00 -0.03 0.00 0.00 54.58 51.10 1mut n ASN 119 Cb 0.00 -0.37 0.10 0.00 -0.61 0.00 0.00 39.78 38.90 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 2.26 0.35 -0.57 3.52 4.39 -1.86 -1.17 114.58 121.49 1mut h GLU 120 Ca 0.26 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1mut h GLU 120 Cb 1.48 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 30.13 1mut h GLU 120 CO 0.63 0.84 0.27 -1.35 -1.16 0.00 0.00 179.01 178.24 1mut h PRO 121 N 0.26 0.79 0.00 2.33 0.11 -1.96 -0.78 132.00 132.75 1mut h PRO 121 Ca -0.00 -0.10 -0.40 0.00 0.11 0.00 0.00 66.00 65.61 1mut h PRO 121 Cb 1.11 -0.15 -0.07 0.00 0.11 0.00 0.00 31.00 32.00 1mut h PRO 121 CO 0.10 0.62 -2.44 0.28 -0.21 0.00 0.00 178.00 176.35 1mut n VAL 122 N -4.36 1.43 -0.11 3.15 0.31 -1.23 -4.30 118.33 113.22 1mut n VAL 122 Ca 0.05 -0.48 0.17 0.00 -0.01 0.00 0.00 64.34 64.06 1mut n VAL 122 Cb 0.13 -1.55 0.56 0.00 -0.91 0.00 0.00 33.84 32.07 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 -0.34 0.79 -1.01 2.52 1.08 -1.28 -0.31 117.51 118.96 1mut h ILE 123 Ca -0.60 -0.10 0.24 0.00 -0.39 0.00 0.00 64.86 64.01 1mut h ILE 123 Cb 1.76 0.47 -0.12 0.00 -3.07 0.00 0.00 36.82 35.86 1mut h ILE 123 CO -0.20 0.05 0.61 0.00 -0.69 0.00 0.00 178.15 177.92 1mut h ALA 124 N 1.67 1.83 0.08 1.87 0.00 -1.32 0.41 119.26 123.81 1mut h ALA 124 Ca 0.33 0.11 -0.25 0.00 0.00 0.00 0.00 54.91 55.09 1mut h ALA 124 Cb 0.87 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1mut h ALA 124 CO -0.08 -0.28 -1.18 -0.22 0.00 0.00 0.00 179.25 177.48 1mut h LYS 125 N 0.58 0.17 -1.18 0.00 3.11 -1.29 -3.27 116.57 114.68 1mut h LYS 125 Ca 0.63 -0.29 0.34 0.00 -2.81 0.00 0.00 60.65 58.52 1mut h LYS 125 Cb 1.22 0.11 -0.06 0.00 -1.00 0.00 0.00 32.23 32.50 1mut h LYS 125 CO -0.44 1.12 0.83 -0.07 -2.81 0.00 0.00 179.45 178.09 1mut h LEU 126 N 0.05 0.09 0.22 5.20 -0.00 -0.78 0.40 115.31 120.49 1mut h LEU 126 Ca -0.10 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.79 1mut h LEU 126 Cb 1.91 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 42.57 1mut h LEU 126 CO 0.17 0.01 -0.11 0.11 -0.00 0.00 0.00 178.44 178.62 1mut h LYS 127 N 0.08 -0.29 -0.09 1.13 1.57 -1.60 -0.59 116.57 116.78 1mut h LYS 127 Ca 0.59 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 1mut h LYS 127 Cb 2.18 0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.55 1mut h LYS 127 CO -0.08 -0.16 0.00 0.54 -0.57 0.00 0.00 179.45 179.18 1mut n ARG 128 N -5.20 1.19 0.00 3.15 1.74 0.11 -5.01 116.66 112.64 1mut n ARG 128 Ca -0.09 -0.30 0.00 0.00 -0.77 0.00 0.00 57.85 56.69 1mut n ARG 128 Cb 0.15 -1.07 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 1mut n ARG 128 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39