#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mst s SER 2 N 0.00 -0.29 0.00 0.00 0.15 -1.26 -5.01 113.70 107.29 1mst s SER 2 Ca 0.00 0.51 0.08 0.00 0.70 0.00 0.00 55.95 57.24 1mst s SER 2 Cb 0.00 0.82 0.09 0.00 -1.71 0.00 0.00 66.02 65.22 1mst s SER 2 CO 0.00 -0.08 0.82 -0.46 1.20 0.00 0.00 173.24 174.71 1mst n ASN 3 N 2.68 1.82 -3.86 5.45 0.23 -1.26 -4.74 115.26 115.59 1mst n ASN 3 Ca -0.15 -1.43 -0.42 0.00 -0.53 0.00 0.00 54.58 52.05 1mst n ASN 3 Cb 0.57 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.25 1mst n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1mst n PHE 4 N 0.44 3.01 -4.47 -2.53 7.35 -1.26 -4.92 117.46 115.09 1mst n PHE 4 Ca 0.05 -2.81 -0.24 0.00 -0.76 0.00 0.00 57.45 53.69 1mst n PHE 4 Cb 0.23 -2.00 -0.08 0.00 0.35 0.00 0.00 39.48 37.97 1mst n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1mst s THR 5 N 0.64 0.56 0.39 -2.13 -4.23 -1.26 -4.84 115.64 104.77 1mst s THR 5 Ca 0.40 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.65 1mst s THR 5 Cb 0.10 -2.42 -0.09 0.00 1.34 0.00 0.00 72.50 71.43 1mst s THR 5 CO -0.00 0.00 1.21 -1.58 -0.54 0.00 0.00 174.62 173.71 1mst s GLN 6 N -3.72 4.10 0.14 3.99 0.74 -1.26 -4.56 119.66 119.09 1mst s GLN 6 Ca 0.28 1.95 -0.17 0.00 0.05 0.00 0.00 55.36 57.47 1mst s GLN 6 Cb 0.03 -2.77 0.04 0.00 1.10 0.00 0.00 33.01 31.41 1mst s GLN 6 CO 0.16 -0.31 0.43 -0.59 -0.55 0.00 0.00 175.29 174.43 1mst s PHE 7 N -1.33 -0.21 -0.36 1.67 -0.71 -0.75 -5.00 117.98 111.30 1mst s PHE 7 Ca 0.55 -0.10 -0.25 0.00 -1.04 0.00 0.00 56.93 56.10 1mst s PHE 7 Cb -0.34 0.30 0.01 0.00 -1.21 0.00 0.00 43.02 41.78 1mst s PHE 7 CO 0.43 -0.74 0.86 0.08 -1.34 0.00 0.00 175.22 174.51 1mst s VAL 8 N -3.81 4.66 0.00 -2.49 1.01 -1.26 -1.06 120.40 117.45 1mst s VAL 8 Ca 0.04 1.09 -0.10 0.00 0.00 0.00 0.00 61.98 63.01 1mst s VAL 8 Cb 0.01 -4.27 -0.32 0.00 0.00 0.00 0.00 36.38 31.81 1mst s VAL 8 CO -0.11 -0.47 0.86 0.25 0.00 0.00 0.00 175.10 175.64 1mst h LEU 9 N 9.88 0.63 -7.63 3.92 5.85 -0.91 -3.44 115.31 123.61 1mst h LEU 9 Ca -0.24 -0.80 -0.58 0.00 0.84 0.00 0.00 57.88 57.11 1mst h LEU 9 Cb 1.09 -0.21 -0.38 0.00 0.37 0.00 0.00 40.66 41.53 1mst h LEU 9 CO 0.95 1.65 -0.79 -0.69 -0.34 0.00 0.00 178.44 179.22 1mst s VAL 10 N -2.60 1.28 -0.54 1.05 1.01 -0.95 -4.96 120.40 114.68 1mst s VAL 10 Ca -0.11 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 60.76 1mst s VAL 10 Cb 0.05 -1.48 0.04 0.00 0.00 0.00 0.00 36.38 34.99 1mst s VAL 10 CO 0.89 0.05 1.01 -0.62 0.00 0.00 0.00 175.10 176.42 1mst s ASP 11 N 1.54 6.40 -0.44 3.32 -1.08 -1.26 -1.63 116.67 123.53 1mst s ASP 11 Ca -0.02 -0.14 0.04 0.00 -0.52 0.00 0.00 52.55 51.91 1mst s ASP 11 Cb -0.17 -2.47 0.47 0.00 -1.46 0.00 0.00 42.92 39.29 1mst s ASP 11 CO -0.07 -1.26 1.56 0.59 0.52 0.00 0.00 175.17 176.51 1mst n ASN 12 N 7.67 5.62 -2.05 -0.34 3.02 -1.26 -4.91 115.26 123.00 1mst n ASN 12 Ca 0.04 -3.77 -0.15 0.00 -0.03 0.00 0.00 54.58 50.67 1mst n ASN 12 Cb 0.48 -0.63 0.02 0.00 -0.61 0.00 0.00 39.78 39.04 1mst n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mst n GLY 13 N -0.86 -0.16 0.59 7.41 0.00 -1.26 -3.42 105.19 107.49 1mst n GLY 13 Ca 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1mst n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mst n GLY 14 N -1.23 2.95 3.06 -0.02 0.00 -1.26 -5.01 105.19 103.68 1mst n GLY 14 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1mst n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mst s THR 15 N -2.57 1.89 0.00 2.61 -4.23 -1.22 -4.59 115.64 107.53 1mst s THR 15 Ca 0.00 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 1mst s THR 15 Cb 0.00 -1.82 0.00 0.00 1.34 0.00 0.00 72.50 72.02 1mst s THR 15 CO 0.00 0.34 0.00 0.61 -0.54 0.00 0.00 174.62 175.03 1mst n GLY 16 N 4.63 0.94 3.77 3.99 0.00 -1.26 -4.73 105.19 112.53 1mst n GLY 16 Ca -0.18 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 1mst n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mst s ASP 17 N -2.48 7.06 -0.37 1.61 1.01 -1.26 -4.59 116.67 117.65 1mst s ASP 17 Ca 0.00 2.20 -0.16 0.00 0.71 0.00 0.00 52.55 55.30 1mst s ASP 17 Cb 0.00 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1mst s ASP 17 CO 0.00 -0.28 0.41 -0.69 0.21 0.00 0.00 175.17 174.82 1mst s VAL 18 N -1.33 5.11 -0.09 -1.27 1.01 -0.64 -4.96 120.40 118.23 1mst s VAL 18 Ca 0.49 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.39 1mst s VAL 18 Cb -0.29 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1mst s VAL 18 CO 0.37 -0.23 0.10 -0.89 0.00 0.00 0.00 175.10 174.45 1mst s THR 19 N 2.12 5.12 -0.07 3.92 2.01 -1.26 -0.17 115.64 127.30 1mst s THR 19 Ca 0.13 0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.20 1mst s THR 19 Cb -0.17 -3.23 -0.01 0.00 0.01 0.00 0.00 72.50 69.11 1mst s THR 19 CO 0.13 0.58 -0.25 0.54 -0.69 0.00 0.00 174.62 174.93 1mst s VAL 20 N -1.02 2.05 0.11 3.82 0.11 -0.22 -4.27 120.40 120.99 1mst s VAL 20 Ca 0.16 -1.05 0.10 0.00 -2.93 0.00 0.00 61.98 58.27 1mst s VAL 20 Cb -0.12 -1.75 -0.04 0.00 -1.53 0.00 0.00 36.38 32.94 1mst s VAL 20 CO 0.05 0.57 -0.26 0.00 -3.33 0.00 0.00 175.10 172.12 1mst s ALA 21 N 0.04 2.31 0.23 1.54 0.00 -0.40 -1.81 121.76 123.67 1mst s ALA 21 Ca -0.10 -1.42 -0.31 0.00 0.00 0.00 0.00 51.96 50.13 1mst s ALA 21 Cb -0.15 -0.38 -0.14 0.00 0.00 0.00 0.00 23.12 22.44 1mst s ALA 21 CO 0.06 0.52 1.31 -2.30 0.00 0.00 0.00 175.76 175.36 1mst n PRO 22 N 1.08 1.76 0.00 0.00 -0.02 -1.26 -0.49 135.00 136.07 1mst n PRO 22 Ca -0.18 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1mst n PRO 22 Cb 0.53 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1mst n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1mst n SER 23 N 2.01 2.65 -3.57 2.55 3.41 0.12 -4.80 113.62 115.99 1mst n SER 23 Ca 0.12 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.59 1mst n SER 23 Cb 0.30 0.18 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 1mst n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1mst s ASN 24 N -2.71 -0.56 -0.32 4.04 3.84 -1.19 -5.03 114.94 113.01 1mst s ASN 24 Ca 0.00 0.78 0.17 0.00 0.21 0.00 0.00 52.86 54.02 1mst s ASN 24 Cb 0.00 0.68 0.46 0.00 -0.55 0.00 0.00 41.25 41.85 1mst s ASN 24 CO 0.00 -0.40 1.00 0.33 -2.79 0.00 0.00 177.10 175.24 1mst n PHE 25 N 1.36 1.45 -3.12 0.43 -0.00 -1.26 -0.86 117.46 115.47 1mst n PHE 25 Ca -0.15 -2.70 -0.38 0.00 -0.00 0.00 0.00 57.45 54.22 1mst n PHE 25 Cb 0.57 -0.32 -0.06 0.00 -0.00 0.00 0.00 39.48 39.66 1mst n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1mst s ALA 26 N -3.29 3.50 -1.46 3.13 0.00 -1.23 -4.25 121.76 118.16 1mst s ALA 26 Ca 0.30 0.19 -0.09 0.00 0.00 0.00 0.00 51.96 52.36 1mst s ALA 26 Cb 0.43 -2.80 0.04 0.00 0.00 0.00 0.00 23.12 20.79 1mst s ALA 26 CO 0.00 0.34 0.84 0.09 0.00 0.00 0.00 175.76 177.04 1mst n ASN 27 N 1.45 -5.36 0.00 0.00 4.13 -1.26 -2.22 115.26 111.99 1mst n ASN 27 Ca -0.07 -0.52 0.00 0.00 1.68 0.00 0.00 54.58 55.67 1mst n ASN 27 Cb 0.50 -4.30 0.00 0.00 -1.54 0.00 0.00 39.78 34.44 1mst n ASN 27 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1mst n GLY 28 N -1.63 0.37 3.19 7.41 0.00 -1.26 -5.00 105.19 108.27 1mst n GLY 28 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1mst n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mst s VAL 29 N -1.75 3.26 0.05 1.61 1.01 -0.94 -4.44 120.40 119.19 1mst s VAL 29 Ca 0.00 -1.43 -0.29 0.00 0.00 0.00 0.00 61.98 60.26 1mst s VAL 29 Cb 0.00 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1mst s VAL 29 CO 0.00 -0.22 0.93 0.00 0.00 0.00 0.00 175.10 175.81 1mst s ALA 30 N 1.28 3.23 -0.03 5.51 0.00 -0.23 -3.54 121.76 127.97 1mst s ALA 30 Ca -0.02 0.50 0.05 0.00 0.00 0.00 0.00 51.96 52.49 1mst s ALA 30 Cb -0.20 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 1mst s ALA 30 CO -0.01 -0.11 -0.16 -2.00 0.00 0.00 0.00 175.76 173.48 1mst s GLU 31 N 0.46 1.52 0.01 0.00 2.12 -0.03 -1.20 118.70 121.58 1mst s GLU 31 Ca 0.48 -0.58 0.07 0.00 0.36 0.00 0.00 54.97 55.30 1mst s GLU 31 Cb -0.22 -1.39 -0.02 0.00 0.26 0.00 0.00 34.13 32.76 1mst s GLU 31 CO 0.28 0.29 -0.22 -1.58 -0.54 0.00 0.00 175.26 173.49 1mst s TRP 32 N -0.16 1.98 0.00 5.30 0.51 0.06 -0.70 118.94 125.93 1mst s TRP 32 Ca 0.01 -0.38 0.01 0.00 -2.12 0.00 0.00 56.10 53.62 1mst s TRP 32 Cb -0.09 -1.23 -0.01 0.00 -0.81 0.00 0.00 33.47 31.34 1mst s TRP 32 CO 0.01 0.03 -0.03 0.42 -0.51 0.00 0.00 176.95 176.87 1mst s ILE 33 N -0.65 0.21 0.77 2.03 -1.09 0.36 -1.71 121.20 121.12 1mst s ILE 33 Ca 0.09 -0.25 -0.12 0.00 -2.23 0.00 0.00 60.65 58.14 1mst s ILE 33 Cb -0.09 -0.21 0.06 0.00 -1.58 0.00 0.00 42.46 40.64 1mst s ILE 33 CO 0.00 -0.03 1.12 -0.94 -1.23 0.00 0.00 174.94 173.86 1mst s SER 34 N -0.30 4.78 1.06 3.58 1.04 -1.00 -1.28 113.70 121.58 1mst s SER 34 Ca -0.01 1.11 -0.16 0.00 0.48 0.00 0.00 55.95 57.36 1mst s SER 34 Cb -0.02 -1.81 0.22 0.00 0.10 0.00 0.00 66.02 64.51 1mst s SER 34 CO -0.00 -1.76 1.17 -0.55 0.98 0.00 0.00 173.24 173.07 1mst s SER 35 N -4.22 2.18 0.38 7.02 0.15 -1.26 -4.74 113.70 113.22 1mst s SER 35 Ca 0.60 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.90 1mst s SER 35 Cb -0.12 -0.94 0.00 0.00 -1.71 0.00 0.00 66.02 63.25 1mst s SER 35 CO 0.52 -3.34 0.00 0.59 1.20 0.00 0.00 173.24 172.21 1mst n ASN 36 N -4.24 -2.05 -4.66 5.45 3.02 -1.26 -4.79 115.26 106.73 1mst n ASN 36 Ca 0.12 0.00 -0.62 0.00 -0.03 0.00 0.00 54.58 54.05 1mst n ASN 36 Cb 0.59 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.68 1mst n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1mst n SER 37 N -0.68 1.18 0.27 6.41 7.64 -1.26 -4.81 113.62 122.37 1mst n SER 37 Ca 0.00 1.15 0.11 0.00 1.01 0.00 0.00 58.87 61.14 1mst n SER 37 Cb 0.00 -0.98 0.74 0.00 -1.01 0.00 0.00 64.21 62.96 1mst n SER 37 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1mst h ARG 38 N 4.88 0.00 0.00 1.43 9.65 -1.90 -0.68 114.38 127.76 1mst h ARG 38 Ca -0.47 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.39 1mst h ARG 38 Cb 1.37 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.95 1mst h ARG 38 CO 0.87 0.00 -0.11 0.66 2.80 0.00 0.00 179.97 184.19 1mst h SER 39 N 0.00 0.00 -0.16 -3.80 4.64 -1.87 -2.67 113.55 109.69 1mst h SER 39 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1mst h SER 39 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1mst h SER 39 CO -0.00 0.11 0.00 0.00 -0.87 0.00 0.00 176.83 176.07 1mst n GLN 40 N -3.46 2.66 -2.90 4.77 6.02 -0.31 -3.54 117.38 120.63 1mst n GLN 40 Ca -0.01 -2.10 -0.32 0.00 -0.01 0.00 0.00 57.00 54.56 1mst n GLN 40 Cb 0.27 -1.32 -0.05 0.00 1.02 0.00 0.00 30.24 30.15 1mst n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mst s ALA 41 N -1.64 3.24 0.50 -1.58 0.00 -0.91 -4.83 121.76 116.53 1mst s ALA 41 Ca 0.21 0.06 -0.15 0.00 0.00 0.00 0.00 51.96 52.08 1mst s ALA 41 Cb 0.15 -2.87 -0.07 0.00 0.00 0.00 0.00 23.12 20.33 1mst s ALA 41 CO 0.07 0.12 0.94 0.71 0.00 0.00 0.00 175.76 177.60 1mst s TYR 42 N -2.22 3.47 -0.02 0.00 1.51 -1.26 -4.64 117.35 114.19 1mst s TYR 42 Ca 0.55 1.35 -0.02 0.00 -1.01 0.00 0.00 57.07 57.94 1mst s TYR 42 Cb -0.10 -2.70 0.01 0.00 -0.11 0.00 0.00 41.96 39.06 1mst s TYR 42 CO 0.22 -0.33 0.06 0.21 -1.11 0.00 0.00 175.55 174.60 1mst s LYS 43 N -4.12 0.06 -0.02 -0.62 2.20 -1.06 -2.38 119.74 113.81 1mst s LYS 43 Ca 0.57 0.09 0.01 0.00 -0.36 0.00 0.00 55.97 56.28 1mst s LYS 43 Cb -0.10 0.01 0.01 0.00 -1.51 0.00 0.00 37.83 36.24 1mst s LYS 43 CO 0.33 -0.02 -0.03 0.08 -0.36 0.00 0.00 175.35 175.35 1mst s VAL 44 N 0.11 0.34 0.09 4.02 1.01 -0.70 -0.74 120.40 124.54 1mst s VAL 44 Ca -0.01 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1mst s VAL 44 Cb -0.01 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 1mst s VAL 44 CO -0.00 0.14 -0.09 0.42 0.00 0.00 0.00 175.10 175.57 1mst s THR 45 N 0.47 0.85 -0.17 3.92 -4.23 -0.21 -0.76 115.64 115.51 1mst s THR 45 Ca -0.05 -1.62 -0.15 0.00 -1.18 0.00 0.00 61.69 58.69 1mst s THR 45 Cb -0.08 -1.32 0.05 0.00 1.34 0.00 0.00 72.50 72.48 1mst s THR 45 CO -0.01 -0.59 0.46 0.00 -0.54 0.00 0.00 174.62 173.94 1mst s SER 47 N 0.42 -0.29 0.05 0.00 1.04 -0.83 -1.07 113.70 113.02 1mst s SER 47 Ca -0.01 0.40 0.08 0.00 0.48 0.00 0.00 55.95 56.89 1mst s SER 47 Cb -0.04 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 1mst s SER 47 CO -0.02 -0.32 -0.23 -0.69 0.98 0.00 0.00 173.24 172.97 1mst s VAL 48 N -0.67 1.84 -0.06 5.02 1.01 -1.26 -0.88 120.40 125.40 1mst s VAL 48 Ca -0.08 -1.31 -0.30 0.00 0.00 0.00 0.00 61.98 60.29 1mst s VAL 48 Cb -0.04 -1.60 0.07 0.00 0.00 0.00 0.00 36.38 34.81 1mst s VAL 48 CO 0.03 0.23 0.67 -0.60 0.00 0.00 0.00 175.10 175.42 1mst s ARG 49 N -1.30 1.03 -0.61 2.72 3.00 -0.66 -4.98 118.95 118.16 1mst s ARG 49 Ca 0.09 0.28 -0.28 0.00 -1.00 0.00 0.00 55.73 54.82 1mst s ARG 49 Cb -0.09 0.49 0.02 0.00 0.00 0.00 0.00 34.95 35.36 1mst s ARG 49 CO 0.02 -0.31 1.41 -1.14 0.00 0.00 0.00 175.30 175.28 1mst s GLN 50 N -1.12 3.22 0.19 5.12 2.00 -1.26 -0.14 119.66 127.66 1mst s GLN 50 Ca -0.11 0.28 0.01 0.00 -2.00 0.00 0.00 55.36 53.54 1mst s GLN 50 Cb -0.00 -4.16 0.09 0.00 0.80 0.00 0.00 33.01 29.74 1mst s GLN 50 CO 0.09 -2.06 1.45 0.66 -0.50 0.00 0.00 175.29 174.94 1mst h SER 51 N 11.09 0.36 -3.87 6.67 4.64 -1.55 -3.47 113.55 127.42 1mst h SER 51 Ca -0.27 -0.24 -0.28 0.00 -0.47 0.00 0.00 61.79 60.53 1mst h SER 51 Cb 1.09 -0.11 -0.07 0.00 -0.31 0.00 0.00 62.40 63.00 1mst h SER 51 CO 1.21 0.97 -0.17 -1.54 -0.87 0.00 0.00 176.83 176.43 1mst n SER 52 N -3.80 -1.16 0.25 4.97 3.41 -1.12 -4.98 113.62 111.20 1mst n SER 52 Ca -0.04 -2.75 0.09 0.00 -0.26 0.00 0.00 58.87 55.91 1mst n SER 52 Cb 0.71 2.21 0.65 0.00 -0.26 0.00 0.00 64.21 67.52 1mst n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mst h ALA 53 N 1.97 1.70 -0.01 7.33 0.00 -2.03 -3.08 119.26 125.15 1mst h ALA 53 Ca -0.24 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1mst h ALA 53 Cb 1.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1mst h ALA 53 CO 0.33 0.11 -0.12 1.04 0.00 0.00 0.00 179.25 180.61 1mst n GLN 54 N -4.21 1.65 -4.51 0.00 6.02 -1.26 -4.93 117.38 110.15 1mst n GLN 54 Ca -0.03 -0.67 -0.23 0.00 -0.01 0.00 0.00 57.00 56.06 1mst n GLN 54 Cb 0.17 -1.06 -0.14 0.00 1.02 0.00 0.00 30.24 30.23 1mst n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1mst s ASN 55 N -1.07 2.19 0.06 1.08 0.01 -1.16 0.39 114.94 116.43 1mst s ASN 55 Ca 0.08 -0.51 0.06 0.00 -0.71 0.00 0.00 52.86 51.77 1mst s ASN 55 Cb 0.07 -0.16 -0.04 0.00 0.41 0.00 0.00 41.25 41.53 1mst s ASN 55 CO 0.18 0.10 -0.12 -0.13 -1.51 0.00 0.00 177.10 175.63 1mst s ARG 56 N -1.23 2.22 -0.06 -0.60 0.52 -0.33 -1.41 118.95 118.06 1mst s ARG 56 Ca 0.05 -0.93 0.01 0.00 -0.52 0.00 0.00 55.73 54.34 1mst s ARG 56 Cb -0.09 -2.32 0.02 0.00 0.52 0.00 0.00 34.95 33.09 1mst s ARG 56 CO 0.02 0.54 -0.06 0.21 0.02 0.00 0.00 175.30 176.03 1mst s LYS 57 N -1.74 1.06 -0.08 3.54 2.20 0.80 -0.89 119.74 124.62 1mst s LYS 57 Ca 0.18 -0.15 -0.10 0.00 -0.36 0.00 0.00 55.97 55.54 1mst s LYS 57 Cb -0.11 -1.07 -0.05 0.00 -1.51 0.00 0.00 37.83 35.10 1mst s LYS 57 CO 0.09 -0.12 0.24 0.71 -0.36 0.00 0.00 175.35 175.92 1mst s TYR 58 N 1.13 3.64 -0.25 4.03 1.51 0.03 -1.65 117.35 125.78 1mst s TYR 58 Ca -0.07 0.70 0.01 0.00 -1.01 0.00 0.00 57.07 56.69 1mst s TYR 58 Cb -0.14 -2.09 0.07 0.00 -0.11 0.00 0.00 41.96 39.69 1mst s TYR 58 CO -0.01 0.67 -0.03 0.99 -1.11 0.00 0.00 175.55 176.07 1mst s THR 59 N -0.95 1.56 -0.04 -0.71 2.01 -0.06 -1.31 115.64 116.15 1mst s THR 59 Ca 0.18 -1.38 0.01 0.00 0.31 0.00 0.00 61.69 60.82 1mst s THR 59 Cb -0.14 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 1mst s THR 59 CO 0.07 -0.22 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.11 1mst s ILE 60 N 1.35 3.83 -0.01 1.82 -1.09 -0.24 -1.95 121.20 124.92 1mst s ILE 60 Ca -0.02 -0.54 -0.00 0.00 -2.23 0.00 0.00 60.65 57.85 1mst s ILE 60 Cb -0.19 -2.62 0.01 0.00 -1.58 0.00 0.00 42.46 38.08 1mst s ILE 60 CO -0.08 0.51 0.01 -0.54 -1.23 0.00 0.00 174.94 173.61 1mst s LYS 61 N -1.09 0.00 0.01 2.79 1.02 -0.53 -0.93 119.74 121.02 1mst s LYS 61 Ca 0.15 0.04 0.03 0.00 0.02 0.00 0.00 55.97 56.21 1mst s LYS 61 Cb -0.11 -0.04 -0.01 0.00 -0.52 0.00 0.00 37.83 37.15 1mst s LYS 61 CO 0.04 -0.03 -0.10 0.08 -0.92 0.00 0.00 175.35 174.42 1mst s VAL 62 N 0.19 0.79 -0.11 3.17 1.01 -0.15 -1.04 120.40 124.25 1mst s VAL 62 Ca -0.02 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1mst s VAL 62 Cb -0.02 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.67 1mst s VAL 62 CO -0.01 0.06 -0.13 -1.61 0.00 0.00 0.00 175.10 173.42 1mst s GLU 63 N -0.67 1.98 -0.25 2.72 2.02 0.09 -0.92 118.70 123.67 1mst s GLU 63 Ca 0.01 -0.46 -0.03 0.00 0.02 0.00 0.00 54.97 54.51 1mst s GLU 63 Cb -0.06 -1.78 0.02 0.00 0.10 0.00 0.00 34.13 32.41 1mst s GLU 63 CO 0.00 -0.13 -0.03 0.08 0.02 0.00 0.00 175.26 175.21 1mst s VAL 64 N 1.20 3.20 0.40 2.63 1.01 -0.82 -2.55 120.40 125.47 1mst s VAL 64 Ca -0.03 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 1mst s VAL 64 Cb -0.14 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1mst s VAL 64 CO -0.04 0.21 0.68 -2.16 0.00 0.00 0.00 175.10 173.79 1mst s PRO 65 N 1.39 3.59 -0.42 2.72 0.04 -1.26 -1.08 135.00 139.98 1mst s PRO 65 Ca 0.02 0.08 -0.06 0.00 0.04 0.00 0.00 61.00 61.08 1mst s PRO 65 Cb -0.16 -2.50 0.10 0.00 0.04 0.00 0.00 34.50 31.97 1mst s PRO 65 CO -0.03 -0.01 0.24 0.21 0.04 0.00 0.00 177.00 177.45 1mst s LYS 66 N -4.24 2.31 0.33 4.56 2.47 -0.42 -4.97 119.74 119.78 1mst s LYS 66 Ca 0.46 -1.66 -0.29 0.00 -1.56 0.00 0.00 55.97 52.91 1mst s LYS 66 Cb -0.10 -3.68 -0.11 0.00 -1.46 0.00 0.00 37.83 32.47 1mst s LYS 66 CO 0.37 -1.03 1.55 0.08 0.16 0.00 0.00 175.35 176.48 1mst s VAL 67 N 1.28 2.05 0.19 4.02 1.01 -1.26 -0.13 120.40 127.56 1mst s VAL 67 Ca 0.05 0.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.85 1mst s VAL 67 Cb -0.23 -3.03 0.05 0.00 0.00 0.00 0.00 36.38 33.17 1mst s VAL 67 CO -0.01 0.01 0.79 0.00 0.00 0.00 0.00 175.10 175.89 1mst s ALA 68 N -0.52 -1.48 -0.16 5.51 0.00 -0.76 -4.73 121.76 119.63 1mst s ALA 68 Ca 0.58 0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.63 1mst s ALA 68 Cb -0.47 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 1mst s ALA 68 CO 0.55 -0.96 -0.12 0.99 0.00 0.00 0.00 175.76 176.22 1mst s THR 69 N -3.61 2.99 -0.12 0.00 2.01 -1.26 -1.05 115.64 114.60 1mst s THR 69 Ca 0.09 -0.66 -0.13 0.00 0.31 0.00 0.00 61.69 61.30 1mst s THR 69 Cb -0.03 -2.28 -0.05 0.00 0.01 0.00 0.00 72.50 70.15 1mst s THR 69 CO 0.01 0.50 0.29 -1.58 -0.69 0.00 0.00 174.62 173.14 1mst s GLN 70 N 0.73 4.02 -0.23 4.92 0.74 0.40 -4.92 119.66 125.32 1mst s GLN 70 Ca -0.05 0.12 0.00 0.00 0.05 0.00 0.00 55.36 55.48 1mst s GLN 70 Cb -0.15 -3.33 0.06 0.00 1.10 0.00 0.00 33.01 30.69 1mst s GLN 70 CO 0.02 0.45 -0.04 0.99 -0.55 0.00 0.00 175.29 176.15 1mst s THR 71 N -0.17 1.42 -0.12 -0.34 2.01 -1.26 -0.48 115.64 116.70 1mst s THR 71 Ca 0.18 -1.18 -0.00 0.00 0.31 0.00 0.00 61.69 61.00 1mst s THR 71 Cb -0.14 -1.73 0.02 0.00 0.01 0.00 0.00 72.50 70.67 1mst s THR 71 CO 0.06 -0.13 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.07 1mst s VAL 72 N 1.44 1.14 -1.57 3.82 1.01 -0.71 -4.76 120.40 120.77 1mst s VAL 72 Ca -0.05 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1mst s VAL 72 Cb -0.19 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.06 1mst s VAL 72 CO -0.07 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1mst n GLY 73 N 4.85 -0.02 1.87 4.51 0.00 -1.26 -1.81 105.19 113.32 1mst n GLY 73 Ca -0.14 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1mst n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mst n GLY 74 N -0.98 1.52 3.64 -0.02 0.00 -1.26 -5.02 105.19 103.07 1mst n GLY 74 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1mst n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mst s VAL 75 N -2.83 5.24 0.01 1.61 1.01 -0.75 -5.07 120.40 119.62 1mst s VAL 75 Ca 0.00 0.49 -0.17 0.00 0.00 0.00 0.00 61.98 62.30 1mst s VAL 75 Cb 0.00 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.68 1mst s VAL 75 CO 0.00 0.25 0.47 -1.81 0.00 0.00 0.00 175.10 174.01 1mst s ASP 76 N 1.26 6.88 -0.01 3.32 1.01 -1.26 -1.74 116.67 126.14 1mst s ASP 76 Ca 0.14 1.05 0.00 0.00 0.71 0.00 0.00 52.55 54.45 1mst s ASP 76 Cb -0.15 -2.29 0.01 0.00 1.01 0.00 0.00 42.92 41.50 1mst s ASP 76 CO 0.08 0.28 0.01 -0.76 0.21 0.00 0.00 175.17 174.99 1mst s LEU 77 N -0.93 1.66 -0.20 1.23 1.43 0.37 -4.97 118.68 117.28 1mst s LEU 77 Ca 0.26 0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 53.07 1mst s LEU 77 Cb -0.17 -0.04 0.00 0.00 0.03 0.00 0.00 46.19 46.01 1mst s LEU 77 CO 0.15 -0.04 1.11 -2.84 0.23 0.00 0.00 176.35 174.96 1mst s PRO 78 N 0.39 4.26 0.26 1.29 0.02 -1.26 -0.45 135.00 139.50 1mst s PRO 78 Ca -0.03 1.47 0.05 0.00 0.02 0.00 0.00 61.00 62.50 1mst s PRO 78 Cb -0.05 -3.67 -0.02 0.00 0.02 0.00 0.00 34.50 30.78 1mst s PRO 78 CO -0.01 -0.64 0.17 1.33 -0.33 0.00 0.00 177.00 177.52 1mst n VAL 79 N 5.29 0.00 -3.92 3.83 0.24 -0.21 -4.70 118.33 118.85 1mst n VAL 79 Ca 0.12 -1.71 -0.35 0.00 -2.04 0.00 0.00 64.34 60.36 1mst n VAL 79 Cb 0.46 0.77 -0.14 0.00 -1.47 0.00 0.00 33.84 33.46 1mst n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mst s ALA 80 N -2.90 2.78 0.37 2.33 0.00 -1.23 -1.82 121.76 121.29 1mst s ALA 80 Ca 0.23 -1.29 0.09 0.00 0.00 0.00 0.00 51.96 50.99 1mst s ALA 80 Cb 0.01 -1.72 0.85 0.00 0.00 0.00 0.00 23.12 22.26 1mst s ALA 80 CO 0.17 -0.60 1.91 0.00 0.00 0.00 0.00 175.76 177.24 1mst h ALA 81 N 8.09 1.86 -2.00 0.00 0.00 -0.82 -3.46 119.26 122.93 1mst h ALA 81 Ca -0.38 -0.00 0.24 0.00 0.00 0.00 0.00 54.91 54.78 1mst h ALA 81 Cb 1.14 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 1mst h ALA 81 CO 0.60 -0.04 0.66 1.67 0.00 0.00 0.00 179.25 182.13 1mst s TRP 82 N -5.61 -0.06 0.01 0.00 1.48 -1.26 -5.02 118.94 108.49 1mst s TRP 82 Ca -0.09 -0.17 0.01 0.00 -1.06 0.00 0.00 56.10 54.79 1mst s TRP 82 Cb 0.21 0.61 -0.01 0.00 -1.16 0.00 0.00 33.47 33.11 1mst s TRP 82 CO 0.78 -0.59 -0.04 1.03 -4.06 0.00 0.00 176.95 174.07 1mst s ARG 83 N -2.72 0.30 -0.05 3.25 0.52 -1.26 -1.30 118.95 117.69 1mst s ARG 83 Ca 0.15 -0.39 -0.10 0.00 -0.52 0.00 0.00 55.73 54.87 1mst s ARG 83 Cb 0.01 -0.11 -0.05 0.00 0.52 0.00 0.00 34.95 35.32 1mst s ARG 83 CO 0.00 0.02 0.27 -1.12 0.02 0.00 0.00 175.30 174.49 1mst s SER 84 N -0.82 6.58 -0.20 0.23 0.01 -0.24 -4.94 113.70 114.31 1mst s SER 84 Ca -0.07 0.68 0.00 0.00 1.31 0.00 0.00 55.95 57.88 1mst s SER 84 Cb -0.06 -2.15 0.02 0.00 0.21 0.00 0.00 66.02 64.05 1mst s SER 84 CO -0.00 0.35 -0.15 -0.31 0.41 0.00 0.00 173.24 173.53 1mst s TYR 85 N -1.10 2.90 -0.19 2.43 1.51 -1.26 -1.95 117.35 119.68 1mst s TYR 85 Ca 0.21 -1.63 -0.08 0.00 -1.01 0.00 0.00 57.07 54.56 1mst s TYR 85 Cb -0.14 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.70 1mst s TYR 85 CO 0.10 -0.78 0.09 -1.17 -1.11 0.00 0.00 175.55 172.68 1mst s LEU 86 N 1.30 3.94 -0.12 -1.29 2.96 -0.10 -4.99 118.68 120.37 1mst s LEU 86 Ca 0.03 0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 54.04 1mst s LEU 86 Cb -0.14 -2.01 0.04 0.00 0.50 0.00 0.00 46.19 44.58 1mst s LEU 86 CO -0.10 0.17 0.03 0.21 -1.32 0.00 0.00 176.35 175.35 1mst s ASN 87 N 0.41 2.05 0.02 3.68 2.47 -1.26 -0.98 114.94 121.32 1mst s ASN 87 Ca 0.05 -0.37 0.06 0.00 0.42 0.00 0.00 52.86 53.01 1mst s ASN 87 Cb -0.12 -0.42 -0.02 0.00 -1.45 0.00 0.00 41.25 39.24 1mst s ASN 87 CO -0.00 -0.26 -0.17 0.00 -3.72 0.00 0.00 177.10 172.95 1mst s MET 88 N 1.99 1.23 -0.11 0.43 0.23 -0.10 -5.02 119.30 117.95 1mst s MET 88 Ca 0.03 -0.75 0.02 0.00 -1.03 0.00 0.00 55.69 53.96 1mst s MET 88 Cb -0.14 -1.25 0.01 0.00 -1.53 0.00 0.00 34.83 31.92 1mst s MET 88 CO -0.06 0.33 -0.17 -1.21 -2.03 0.00 0.00 175.02 171.87 1mst s GLU 89 N -0.87 2.39 -0.20 3.16 2.02 -1.26 -1.07 118.70 122.86 1mst s GLU 89 Ca 0.05 -0.63 0.01 0.00 0.02 0.00 0.00 54.97 54.42 1mst s GLU 89 Cb -0.08 -1.96 0.04 0.00 0.10 0.00 0.00 34.13 32.23 1mst s GLU 89 CO 0.01 -0.00 -0.14 -1.17 0.02 0.00 0.00 175.26 173.97 1mst s LEU 90 N 0.81 2.44 -0.21 1.80 2.96 -0.42 -4.97 118.68 121.09 1mst s LEU 90 Ca -0.10 -0.89 -0.10 0.00 -0.22 0.00 0.00 54.13 52.83 1mst s LEU 90 Cb -0.16 -1.38 -0.05 0.00 0.50 0.00 0.00 46.19 45.11 1mst s LEU 90 CO 0.01 -0.10 0.13 -0.89 -1.32 0.00 0.00 176.35 174.17 1mst s THR 91 N 1.30 5.23 -0.09 3.68 2.01 -1.26 -0.79 115.64 125.73 1mst s THR 91 Ca -0.00 0.13 -0.01 0.00 0.31 0.00 0.00 61.69 62.12 1mst s THR 91 Cb -0.16 -3.40 0.03 0.00 0.01 0.00 0.00 72.50 68.97 1mst s THR 91 CO -0.09 0.41 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.57 1mst s ILE 92 N 0.65 0.76 0.59 1.82 1.01 -0.07 -4.97 121.20 120.98 1mst s ILE 92 Ca 0.07 -0.13 -0.20 0.00 0.00 0.00 0.00 60.65 60.39 1mst s ILE 92 Cb -0.12 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 1mst s ILE 92 CO 0.01 0.32 1.26 -2.84 0.00 0.00 0.00 174.94 173.69 1mst s PRO 93 N 1.71 2.96 0.00 2.79 0.02 -1.26 -1.18 135.00 140.04 1mst s PRO 93 Ca 0.03 1.99 0.10 0.00 0.02 0.00 0.00 61.00 63.14 1mst s PRO 93 Cb -0.13 -2.02 0.52 0.00 0.02 0.00 0.00 34.50 32.89 1mst s PRO 93 CO -0.06 -1.26 1.17 0.44 -0.33 0.00 0.00 177.00 176.96 1mst n ILE 94 N -1.45 0.61 1.08 2.83 -5.35 0.16 -1.47 119.36 115.77 1mst n ILE 94 Ca 0.13 0.15 0.13 0.00 -0.27 0.00 0.00 62.75 62.89 1mst n ILE 94 Cb 0.48 -0.99 0.38 0.00 -1.74 0.00 0.00 39.64 37.77 1mst n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1mst n PHE 95 N -1.22 0.00 -2.13 4.28 3.72 -1.26 -4.87 117.46 115.97 1mst n PHE 95 Ca 0.05 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.03 1mst n PHE 95 Cb 0.07 -0.27 -0.03 0.00 -0.94 0.00 0.00 39.48 38.31 1mst n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mst s ALA 96 N -2.87 3.61 0.88 4.37 0.00 -0.54 -5.01 121.76 122.20 1mst s ALA 96 Ca 0.16 1.00 -0.10 0.00 0.00 0.00 0.00 51.96 53.01 1mst s ALA 96 Cb 0.18 -3.62 0.18 0.00 0.00 0.00 0.00 23.12 19.87 1mst s ALA 96 CO 0.62 -0.93 1.21 0.95 0.00 0.00 0.00 175.76 177.60 1mst s THR 97 N 2.32 2.04 0.29 0.00 -4.23 -1.26 -4.88 115.64 109.91 1mst s THR 97 Ca 0.67 -0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 60.95 1mst s THR 97 Cb -0.34 -2.81 0.18 0.00 1.34 0.00 0.00 72.50 70.86 1mst s THR 97 CO 0.28 0.00 1.86 0.78 -0.54 0.00 0.00 174.62 177.01 1mst h ASN 98 N -1.26 0.78 -0.77 3.99 4.21 -1.99 -1.83 115.58 118.71 1mst h ASN 98 Ca -0.41 -0.11 -0.05 0.00 1.21 0.00 0.00 56.30 56.93 1mst h ASN 98 Cb 1.24 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 38.21 1mst h ASN 98 CO 0.38 0.72 0.27 0.28 -1.29 0.00 0.00 177.43 177.79 1mst h SER 99 N 0.83 1.09 -0.69 5.81 0.02 -1.99 -0.19 113.55 118.43 1mst h SER 99 Ca 0.19 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1mst h SER 99 Cb 0.21 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 1mst h SER 99 CO -0.01 0.99 0.20 0.44 -1.14 0.00 0.00 176.83 177.30 1mst h ASP 100 N 1.13 1.02 -0.11 3.07 3.32 -1.79 -2.34 116.42 120.72 1mst h ASP 100 Ca 0.25 -0.22 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 1mst h ASP 100 Cb 0.27 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1mst h ASP 100 CO -0.01 0.97 -0.24 0.00 -1.72 0.00 0.00 179.24 178.24 1mst h GLU 102 N 0.48 0.55 -0.43 0.00 5.08 -0.73 -1.31 114.58 118.23 1mst h GLU 102 Ca 0.07 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1mst h GLU 102 Cb 0.68 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1mst h GLU 102 CO 0.05 0.65 -0.15 1.25 -1.00 0.00 0.00 179.01 179.81 1mst h LEU 103 N 0.51 0.87 -0.51 1.33 5.85 -1.04 -1.46 115.31 120.86 1mst h LEU 103 Ca 0.10 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.45 1mst h LEU 103 Cb 0.47 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1mst h LEU 103 CO 0.03 1.05 0.32 0.40 -0.34 0.00 0.00 178.44 179.90 1mst h ILE 104 N 0.68 1.09 -0.47 4.05 2.04 -0.80 -0.84 117.51 123.26 1mst h ILE 104 Ca 0.10 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1mst h ILE 104 Cb 0.70 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1mst h ILE 104 CO 0.05 0.12 0.27 0.58 0.00 0.00 0.00 178.15 179.17 1mst h VAL 105 N 0.65 1.15 -0.59 1.67 2.07 -1.06 -2.18 116.25 117.96 1mst h VAL 105 Ca 0.20 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1mst h VAL 105 Cb -0.03 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1mst h VAL 105 CO -0.07 0.16 0.37 0.11 0.02 0.00 0.00 177.57 178.17 1mst h LYS 106 N 0.62 0.78 -0.64 1.57 1.57 -0.72 -1.04 116.57 118.71 1mst h LYS 106 Ca 0.17 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 1mst h LYS 106 Cb 0.02 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1mst h LYS 106 CO -0.03 0.53 0.13 0.00 -0.57 0.00 0.00 179.45 179.51 1mst h ALA 107 N 1.61 1.02 -0.50 3.86 0.00 -0.57 0.56 119.26 125.24 1mst h ALA 107 Ca 0.21 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1mst h ALA 107 Cb -0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1mst h ALA 107 CO -0.04 0.63 -0.20 0.52 0.00 0.00 0.00 179.25 180.16 1mst h MET 108 N 0.97 1.01 -0.44 0.00 2.86 -0.74 -0.67 114.93 117.92 1mst h MET 108 Ca 0.20 -0.42 -0.13 0.00 -2.06 0.00 0.00 59.70 57.29 1mst h MET 108 Cb 0.38 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1mst h MET 108 CO 0.01 1.11 -0.22 1.96 1.06 0.00 0.00 176.91 180.82 1mst h GLN 109 N 0.87 0.93 -0.61 1.72 4.20 -0.94 -2.85 115.11 118.43 1mst h GLN 109 Ca 0.12 -0.41 -0.10 0.00 0.06 0.00 0.00 58.65 58.32 1mst h GLN 109 Cb 0.78 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 1mst h GLN 109 CO 0.06 1.07 0.00 0.78 -0.67 0.00 0.00 178.83 180.08 1mst h GLY 110 N 0.77 1.17 0.49 3.46 0.00 -0.80 -0.56 103.07 107.59 1mst h GLY 110 Ca 0.10 -0.86 0.10 0.00 0.00 0.00 0.00 47.33 46.68 1mst h GLY 110 CO 0.07 0.79 0.52 -2.00 0.00 0.00 0.00 176.54 175.91 1mst h LEU 111 N 0.99 0.74 -1.86 3.11 5.85 -0.97 -2.49 115.31 120.67 1mst h LEU 111 Ca 0.17 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1mst h LEU 111 Cb 0.56 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1mst h LEU 111 CO 0.03 0.41 0.00 0.18 -0.34 0.00 0.00 178.44 178.72 1mst n LEU 112 N -4.71 2.83 -4.74 2.25 4.77 -1.07 -4.34 117.00 111.99 1mst n LEU 112 Ca 0.15 -1.10 -0.41 0.00 -0.03 0.00 0.00 56.01 54.62 1mst n LEU 112 Cb 0.31 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1mst n LEU 112 CO 0.27 0.55 1.01 1.17 -1.33 0.00 0.00 177.39 179.06 1mst n LYS 113 N 1.13 2.27 -1.65 3.23 4.81 -0.24 -4.77 118.16 122.95 1mst n LYS 113 Ca 0.17 0.80 -0.47 0.00 -0.87 0.00 0.00 58.31 57.94 1mst n LYS 113 Cb 0.54 -2.53 -0.05 0.00 0.02 0.00 0.00 35.03 33.02 1mst n LYS 113 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1mst n ASP 114 N 0.27 2.77 0.00 3.14 9.92 -1.26 -2.11 116.55 129.27 1mst n ASP 114 Ca 0.04 1.09 0.00 0.00 -0.53 0.00 0.00 54.79 55.39 1mst n ASP 114 Cb 0.39 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.50 1mst n ASP 114 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mst n GLY 115 N 3.25 2.68 3.77 0.44 0.00 -1.26 -5.06 105.19 109.00 1mst n GLY 115 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1mst n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mst s ASN 116 N 0.40 4.81 0.14 1.61 0.01 -0.90 -4.84 114.94 116.18 1mst s ASN 116 Ca 0.00 1.89 -0.32 0.00 -0.71 0.00 0.00 52.86 53.72 1mst s ASN 116 Cb 0.00 -2.53 -0.09 0.00 0.41 0.00 0.00 41.25 39.04 1mst s ASN 116 CO 0.00 -1.83 1.55 -0.65 -1.51 0.00 0.00 177.10 174.66 1mst h PRO 117 N -0.61 -0.25 0.31 -0.60 0.11 -1.89 -2.64 132.00 126.43 1mst h PRO 117 Ca -0.45 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1mst h PRO 117 Cb 1.24 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 1mst h PRO 117 CO 0.53 -0.16 -0.18 0.82 -0.21 0.00 0.00 178.00 178.79 1mst h ILE 118 N -0.26 0.62 -0.38 4.15 2.04 -1.93 -1.40 117.51 120.36 1mst h ILE 118 Ca 0.11 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.94 1mst h ILE 118 Cb 0.53 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1mst h ILE 118 CO -0.72 0.00 0.11 1.55 0.00 0.00 0.00 178.15 179.09 1mst h PRO 119 N -0.47 0.54 0.00 2.37 0.13 -1.75 -2.11 132.00 130.72 1mst h PRO 119 Ca -0.03 -0.08 -0.09 0.00 -0.87 0.00 0.00 66.00 64.92 1mst h PRO 119 Cb 0.38 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 1mst h PRO 119 CO 0.04 0.49 -0.44 0.66 -0.23 0.00 0.00 178.00 178.52 1mst h SER 120 N 0.54 0.00 0.04 1.44 4.64 -1.31 -1.45 113.55 117.44 1mst h SER 120 Ca 0.13 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1mst h SER 120 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1mst h SER 120 CO -0.01 0.44 -0.02 0.00 -0.87 0.00 0.00 176.83 176.38 1mst h ALA 121 N 1.56 -0.05 -0.26 5.18 0.00 -0.66 -2.91 119.26 122.12 1mst h ALA 121 Ca -0.00 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1mst h ALA 121 Cb 0.97 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1mst h ALA 121 CO 0.06 -0.28 0.06 0.82 0.00 0.00 0.00 179.25 179.91 1mst h ILE 122 N -0.54 0.89 0.00 0.00 2.04 -1.33 0.63 117.51 119.21 1mst h ILE 122 Ca -0.00 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1mst h ILE 122 Cb 0.50 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1mst h ILE 122 CO 0.01 0.03 0.00 0.00 0.00 0.00 0.00 178.15 178.19 1mst h ALA 123 N 1.18 1.00 -0.10 1.87 0.00 -1.30 -2.24 119.26 119.68 1mst h ALA 123 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1mst h ALA 123 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1mst h ALA 123 CO -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 179.25 178.98 1mst n ALA 124 N -1.84 2.97 -3.95 0.00 0.00 -0.61 -4.96 120.51 112.12 1mst n ALA 124 Ca -0.01 -2.78 -0.30 0.00 0.00 0.00 0.00 53.44 50.35 1mst n ALA 124 Cb 0.08 -0.48 0.01 0.00 0.00 0.00 0.00 19.45 19.06 1mst n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mst n ASN 125 N -1.15 -3.67 -4.36 0.00 3.02 -0.84 -4.94 115.26 103.32 1mst n ASN 125 Ca 0.20 -0.85 -0.18 0.00 -0.03 0.00 0.00 54.58 53.72 1mst n ASN 125 Cb 0.75 -3.61 -0.10 0.00 -0.61 0.00 0.00 39.78 36.21 1mst n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1mst s SER 126 N -3.53 1.85 0.00 6.41 0.01 0.12 -5.03 113.70 113.52 1mst s SER 126 Ca 0.54 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 56.50 1mst s SER 126 Cb -0.28 0.02 0.00 0.00 0.21 0.00 0.00 66.02 65.97 1mst s SER 126 CO 0.85 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 174.53 1mst n GLY 127 N -0.50 3.70 3.85 3.44 0.00 -1.26 -4.09 105.19 110.33 1mst n GLY 127 Ca -0.03 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.63 1mst n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mst s ILE 128 N 1.93 5.08 0.00 -0.61 -1.09 -1.26 -4.81 121.20 120.44 1mst s ILE 128 Ca 0.00 0.67 0.00 0.00 -2.23 0.00 0.00 60.65 59.09 1mst s ILE 128 Cb 0.00 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 1mst s ILE 128 CO 0.00 0.48 0.00 0.00 -1.23 0.00 0.00 174.94 174.19