#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mvb n SER 2 N 0.00 0.00 0.14 0.00 2.88 -1.26 -5.07 113.62 110.31 1mvb n SER 2 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1mvb n SER 2 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 1mvb n SER 2 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1mvb h ASN 3 N 0.00 0.00 -0.15 -3.46 2.35 -2.09 -3.43 115.58 108.79 1mvb h ASN 3 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 1mvb h ASN 3 Cb 0.00 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.40 1mvb h ASN 3 CO 0.00 0.44 1.81 0.33 -1.65 0.00 0.00 177.43 178.36 1mvb n PHE 4 N -3.20 2.02 -4.38 1.19 7.35 -1.26 -4.85 117.46 114.34 1mvb n PHE 4 Ca 0.02 -1.59 -0.19 0.00 -0.76 0.00 0.00 57.45 54.93 1mvb n PHE 4 Cb 0.71 -1.96 -0.10 0.00 0.35 0.00 0.00 39.48 38.48 1mvb n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1mvb s THR 5 N 7.29 1.00 0.42 -2.13 -4.23 -1.26 -4.85 115.64 111.88 1mvb s THR 5 Ca 0.62 -2.02 -0.24 0.00 -1.18 0.00 0.00 61.69 58.87 1mvb s THR 5 Cb 0.09 -2.60 -0.08 0.00 1.34 0.00 0.00 72.50 71.25 1mvb s THR 5 CO 0.14 -0.12 1.18 -1.58 -0.54 0.00 0.00 174.62 173.70 1mvb s GLN 6 N -3.91 3.94 0.17 3.99 0.74 -1.26 -4.65 119.66 118.68 1mvb s GLN 6 Ca 0.34 1.84 -0.11 0.00 0.05 0.00 0.00 55.36 57.48 1mvb s GLN 6 Cb 0.07 -2.59 0.00 0.00 1.10 0.00 0.00 33.01 31.60 1mvb s GLN 6 CO 0.13 -0.41 0.35 -0.59 -0.55 0.00 0.00 175.29 174.21 1mvb s PHE 7 N -1.45 0.23 -0.34 1.67 -0.71 -0.61 -4.99 117.98 111.79 1mvb s PHE 7 Ca 0.59 -0.59 -0.23 0.00 -1.04 0.00 0.00 56.93 55.66 1mvb s PHE 7 Cb -0.30 0.08 0.00 0.00 -1.21 0.00 0.00 43.02 41.59 1mvb s PHE 7 CO 0.38 -0.77 0.76 0.08 -1.34 0.00 0.00 175.22 174.33 1mvb s VAL 8 N -3.93 4.78 -0.14 -2.49 1.01 -1.26 -0.88 120.40 117.48 1mvb s VAL 8 Ca 0.14 0.97 -0.23 0.00 0.00 0.00 0.00 61.98 62.86 1mvb s VAL 8 Cb 0.02 -4.16 -0.25 0.00 0.00 0.00 0.00 36.38 31.99 1mvb s VAL 8 CO -0.01 -0.34 0.59 0.25 0.00 0.00 0.00 175.10 175.58 1mvb h LEU 9 N 9.57 0.15 -8.07 3.92 5.85 -0.92 -3.44 115.31 122.38 1mvb h LEU 9 Ca -0.25 -0.83 -0.67 0.00 0.84 0.00 0.00 57.88 56.97 1mvb h LEU 9 Cb 1.10 -0.05 -0.33 0.00 0.37 0.00 0.00 40.66 41.74 1mvb h LEU 9 CO 0.89 1.33 -0.76 -0.69 -0.34 0.00 0.00 178.44 178.86 1mvb s VAL 10 N -2.35 2.65 -0.54 1.05 1.01 -1.03 -4.98 120.40 116.21 1mvb s VAL 10 Ca -0.21 -1.18 -0.17 0.00 0.00 0.00 0.00 61.98 60.41 1mvb s VAL 10 Cb 0.02 -2.38 0.10 0.00 0.00 0.00 0.00 36.38 34.11 1mvb s VAL 10 CO 0.70 0.16 0.57 -0.62 0.00 0.00 0.00 175.10 175.91 1mvb s ASP 11 N 1.27 6.19 -0.35 3.32 2.15 -1.26 -0.61 116.67 127.37 1mvb s ASP 11 Ca -0.02 -1.44 0.03 0.00 0.43 0.00 0.00 52.55 51.56 1mvb s ASP 11 Cb -0.17 -2.25 0.53 0.00 -0.30 0.00 0.00 42.92 40.73 1mvb s ASP 11 CO -0.05 -0.92 1.72 0.59 -0.17 0.00 0.00 175.17 176.34 1mvb n ASN 12 N 5.77 3.63 -2.21 -0.34 3.02 -1.26 -4.89 115.26 118.98 1mvb n ASN 12 Ca -0.11 -3.25 -0.08 0.00 -0.03 0.00 0.00 54.58 51.11 1mvb n ASN 12 Cb 0.42 -0.76 0.04 0.00 -0.61 0.00 0.00 39.78 38.87 1mvb n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mvb n GLY 13 N -0.75 0.03 3.24 7.41 0.00 -1.26 -3.84 105.19 110.02 1mvb n GLY 13 Ca 0.46 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1mvb n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mvb n GLY 14 N -1.11 1.58 3.20 -0.02 0.00 -1.26 -4.91 105.19 102.67 1mvb n GLY 14 Ca -0.13 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1mvb n GLY 14 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1mvb s THR 15 N -0.25 3.12 0.00 2.61 -1.32 -1.25 -4.36 115.64 114.19 1mvb s THR 15 Ca 0.00 -1.26 0.00 0.00 -1.21 0.00 0.00 61.69 59.22 1mvb s THR 15 Cb 0.00 -2.75 0.00 0.00 -1.51 0.00 0.00 72.50 68.24 1mvb s THR 15 CO 0.00 -0.06 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 1mvb n GLY 16 N 4.67 1.20 3.79 6.08 0.00 -1.26 -4.72 105.19 114.95 1mvb n GLY 16 Ca -0.14 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 1mvb n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mvb s ASP 17 N -2.28 6.37 -0.28 1.61 1.01 -1.26 -4.40 116.67 117.44 1mvb s ASP 17 Ca 0.00 1.96 -0.08 0.00 0.71 0.00 0.00 52.55 55.14 1mvb s ASP 17 Cb 0.00 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 1mvb s ASP 17 CO 0.00 -0.76 0.09 -0.69 0.21 0.00 0.00 175.17 174.03 1mvb s VAL 18 N -1.92 4.24 -0.09 -1.27 1.01 0.21 -4.96 120.40 117.61 1mvb s VAL 18 Ca 0.66 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 62.15 1mvb s VAL 18 Cb -0.18 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1mvb s VAL 18 CO 0.21 0.16 0.07 -0.89 0.00 0.00 0.00 175.10 174.66 1mvb s THR 19 N 1.57 4.88 -0.09 3.92 2.01 -1.26 -0.19 115.64 126.47 1mvb s THR 19 Ca 0.04 -0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.03 1mvb s THR 19 Cb -0.16 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.25 1mvb s THR 19 CO 0.04 0.59 -0.22 0.54 -0.69 0.00 0.00 174.62 174.88 1mvb s VAL 20 N -0.97 1.87 0.12 3.82 0.11 -0.06 -4.47 120.40 120.82 1mvb s VAL 20 Ca 0.15 -0.91 0.11 0.00 -2.93 0.00 0.00 61.98 58.39 1mvb s VAL 20 Cb -0.12 -1.63 -0.04 0.00 -1.53 0.00 0.00 36.38 33.07 1mvb s VAL 20 CO 0.04 0.52 -0.26 0.00 -3.33 0.00 0.00 175.10 172.06 1mvb s ALA 21 N 0.40 2.31 0.18 1.54 0.00 -0.68 -1.57 121.76 123.94 1mvb s ALA 21 Ca -0.18 -1.44 -0.33 0.00 0.00 0.00 0.00 51.96 50.01 1mvb s ALA 21 Cb -0.17 -0.37 -0.15 0.00 0.00 0.00 0.00 23.12 22.43 1mvb s ALA 21 CO 0.08 0.52 1.34 -0.35 0.00 0.00 0.00 175.76 177.35 1mvb n PRO 22 N 0.98 1.59 0.00 0.00 -0.04 -1.26 -1.11 135.00 135.16 1mvb n PRO 22 Ca -0.18 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1mvb n PRO 22 Cb 0.53 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 1mvb n PRO 22 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1mvb n SER 23 N 2.38 0.37 -3.54 3.54 3.41 0.38 -4.81 113.62 115.35 1mvb n SER 23 Ca 0.15 -0.10 -0.14 0.00 -0.26 0.00 0.00 58.87 58.52 1mvb n SER 23 Cb 0.26 0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.43 1mvb n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1mvb s ASN 24 N -0.34 -0.53 0.00 4.04 3.84 -1.20 -4.98 114.94 115.78 1mvb s ASN 24 Ca 0.00 0.53 0.00 0.00 0.21 0.00 0.00 52.86 53.60 1mvb s ASN 24 Cb 0.00 0.44 0.00 0.00 -0.55 0.00 0.00 41.25 41.14 1mvb s ASN 24 CO 0.00 -0.52 0.92 0.33 -2.79 0.00 0.00 177.10 175.04 1mvb n PHE 25 N 0.72 0.00 -1.79 0.43 7.35 -1.26 -1.36 117.46 121.55 1mvb n PHE 25 Ca -0.15 -0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.12 1mvb n PHE 25 Cb 0.58 -0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.38 1mvb n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1mvb s ALA 26 N 0.00 3.83 -1.64 3.13 0.00 -1.26 -1.79 121.76 124.03 1mvb s ALA 26 Ca 0.00 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1mvb s ALA 26 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1mvb s ALA 26 CO -0.00 -0.91 0.00 0.09 0.00 0.00 0.00 175.76 174.94 1mvb n ASN 27 N 3.23 -4.88 0.00 0.00 3.02 -1.26 -2.58 115.26 112.79 1mvb n ASN 27 Ca 0.12 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 55.02 1mvb n ASN 27 Cb 0.37 -3.80 0.00 0.00 -0.61 0.00 0.00 39.78 35.74 1mvb n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mvb n GLY 28 N -1.03 0.47 3.51 7.41 0.00 -0.74 -4.97 105.19 109.84 1mvb n GLY 28 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1mvb n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mvb s VAL 29 N -2.19 4.82 0.13 1.61 1.01 -1.06 -4.80 120.40 119.92 1mvb s VAL 29 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1mvb s VAL 29 Cb 0.00 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.09 1mvb s VAL 29 CO 0.00 -0.62 1.14 0.00 0.00 0.00 0.00 175.10 175.62 1mvb s ALA 30 N 2.83 3.38 -0.02 5.51 0.00 -0.92 -3.98 121.76 128.56 1mvb s ALA 30 Ca 0.22 0.84 0.06 0.00 0.00 0.00 0.00 51.96 53.07 1mvb s ALA 30 Cb -0.14 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 1mvb s ALA 30 CO 0.19 -0.31 -0.19 -2.00 0.00 0.00 0.00 175.76 173.45 1mvb s GLU 31 N 0.19 1.60 0.02 0.00 2.12 -0.47 -1.71 118.70 120.45 1mvb s GLU 31 Ca 0.53 -0.67 0.06 0.00 0.36 0.00 0.00 54.97 55.26 1mvb s GLU 31 Cb -0.30 -1.51 -0.02 0.00 0.26 0.00 0.00 34.13 32.57 1mvb s GLU 31 CO 0.33 0.38 -0.19 -1.58 -0.54 0.00 0.00 175.26 173.66 1mvb s TRP 32 N -0.35 1.67 0.02 5.30 0.51 -0.28 -0.47 118.94 125.33 1mvb s TRP 32 Ca 0.05 -0.34 -0.04 0.00 -2.12 0.00 0.00 56.10 53.65 1mvb s TRP 32 Cb -0.08 -1.03 -0.01 0.00 -0.81 0.00 0.00 33.47 31.54 1mvb s TRP 32 CO -0.00 0.03 0.06 -1.50 -0.51 0.00 0.00 176.95 175.02 1mvb s ILE 33 N -0.64 0.11 0.74 2.03 2.07 -0.27 -1.44 121.20 123.81 1mvb s ILE 33 Ca 0.07 -0.90 -0.08 0.00 -1.41 0.00 0.00 60.65 58.33 1mvb s ILE 33 Cb -0.08 -0.50 0.08 0.00 0.13 0.00 0.00 42.46 42.10 1mvb s ILE 33 CO 0.01 -0.50 1.06 -0.94 -1.91 0.00 0.00 174.94 172.66 1mvb s SER 34 N -1.62 4.55 -1.37 4.50 1.04 -0.68 -1.69 113.70 118.43 1mvb s SER 34 Ca -0.13 0.39 -0.15 0.00 0.48 0.00 0.00 55.95 56.55 1mvb s SER 34 Cb -0.07 -0.94 0.07 0.00 0.10 0.00 0.00 66.02 65.19 1mvb s SER 34 CO -0.01 -1.78 1.99 -0.24 0.98 0.00 0.00 173.24 174.18 1mvb n SER 35 N -3.05 4.43 -3.20 7.02 2.88 -1.26 -4.80 113.62 115.64 1mvb n SER 35 Ca 0.09 -2.91 -0.15 0.00 -1.33 0.00 0.00 58.87 54.58 1mvb n SER 35 Cb 0.60 -1.66 -0.04 0.00 -0.75 0.00 0.00 64.21 62.36 1mvb n SER 35 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1mvb s ASN 36 N 3.21 0.99 0.71 -3.46 0.01 -1.26 -5.07 114.94 110.07 1mvb s ASN 36 Ca 0.48 -1.52 -0.13 0.00 -0.71 0.00 0.00 52.86 50.98 1mvb s ASN 36 Cb 0.09 0.67 0.02 0.00 0.41 0.00 0.00 41.25 42.45 1mvb s ASN 36 CO -0.02 -1.30 1.10 -0.94 -1.51 0.00 0.00 177.10 174.42 1mvb s SER 37 N -3.25 4.85 0.39 -1.22 1.04 -1.26 -4.75 113.70 109.50 1mvb s SER 37 Ca 0.31 1.92 0.28 0.00 0.48 0.00 0.00 55.95 58.94 1mvb s SER 37 Cb -0.00 -2.54 1.27 0.00 0.10 0.00 0.00 66.02 64.85 1mvb s SER 37 CO 0.21 -1.80 1.85 0.03 0.98 0.00 0.00 173.24 174.51 1mvb h ARG 38 N -0.48 0.00 0.00 4.02 3.08 -1.96 -1.36 114.38 117.68 1mvb h ARG 38 Ca -0.45 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.51 1mvb h ARG 38 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 1mvb h ARG 38 CO 0.53 0.00 -0.40 0.66 -1.07 0.00 0.00 179.97 179.69 1mvb h SER 39 N 0.00 0.00 -0.07 7.04 4.64 -1.98 -3.33 113.55 119.86 1mvb h SER 39 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mvb h SER 39 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1mvb h SER 39 CO 0.00 0.39 0.00 0.00 -0.87 0.00 0.00 176.83 176.35 1mvb n GLN 40 N -3.19 0.90 -2.16 4.77 6.02 -0.81 -4.98 117.38 117.92 1mvb n GLN 40 Ca 0.02 -1.19 -0.32 0.00 -0.01 0.00 0.00 57.00 55.50 1mvb n GLN 40 Cb 0.69 -1.13 -0.01 0.00 1.02 0.00 0.00 30.24 30.81 1mvb n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mvb s ALA 41 N -0.69 3.01 -0.08 -1.58 0.00 -0.58 -4.65 121.76 117.20 1mvb s ALA 41 Ca 0.09 0.13 -0.21 0.00 0.00 0.00 0.00 51.96 51.98 1mvb s ALA 41 Cb 0.06 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1mvb s ALA 41 CO 0.08 -0.49 0.58 0.71 0.00 0.00 0.00 175.76 176.65 1mvb s TYR 42 N -2.78 3.57 -0.02 0.00 1.51 -1.26 -4.35 117.35 114.01 1mvb s TYR 42 Ca 0.58 1.08 0.02 0.00 -1.01 0.00 0.00 57.07 57.75 1mvb s TYR 42 Cb -0.11 -2.66 0.00 0.00 -0.11 0.00 0.00 41.96 39.08 1mvb s TYR 42 CO 0.39 0.17 -0.08 0.21 -1.11 0.00 0.00 175.55 175.13 1mvb s LYS 43 N 0.55 0.89 -0.04 -0.62 2.20 -0.81 -1.69 119.74 120.21 1mvb s LYS 43 Ca 0.31 -0.28 0.03 0.00 -0.36 0.00 0.00 55.97 55.67 1mvb s LYS 43 Cb -0.17 -0.84 0.00 0.00 -1.51 0.00 0.00 37.83 35.31 1mvb s LYS 43 CO 0.15 0.10 -0.13 0.08 -0.36 0.00 0.00 175.35 175.19 1mvb s VAL 44 N 0.21 1.12 0.10 4.02 1.01 -0.52 -0.79 120.40 125.55 1mvb s VAL 44 Ca -0.03 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.48 1mvb s VAL 44 Cb -0.08 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1mvb s VAL 44 CO 0.00 0.34 -0.14 0.42 0.00 0.00 0.00 175.10 175.73 1mvb s THR 45 N 0.30 1.21 -0.17 3.92 -4.23 -0.02 -1.12 115.64 115.52 1mvb s THR 45 Ca -0.07 -1.55 -0.14 0.00 -1.18 0.00 0.00 61.69 58.75 1mvb s THR 45 Cb -0.12 -1.34 0.05 0.00 1.34 0.00 0.00 72.50 72.43 1mvb s THR 45 CO 0.02 -0.36 0.44 0.00 -0.54 0.00 0.00 174.62 174.18 1mvb s SER 47 N 0.63 -0.19 0.00 0.00 1.04 -0.64 -2.16 113.70 112.37 1mvb s SER 47 Ca -0.03 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 55.98 1mvb s SER 47 Cb -0.05 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 1mvb s SER 47 CO -0.04 -0.90 -0.04 -0.69 0.98 0.00 0.00 173.24 172.55 1mvb s VAL 48 N -3.84 0.32 0.15 5.02 1.01 -1.26 -0.38 120.40 121.42 1mvb s VAL 48 Ca 0.06 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 1mvb s VAL 48 Cb 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 1mvb s VAL 48 CO -0.09 0.04 0.23 0.00 0.00 0.00 0.00 175.10 175.28 1mvb s ARG 49 N -0.24 1.07 -0.53 2.72 1.70 -0.66 -4.97 118.95 118.03 1mvb s ARG 49 Ca 0.00 -1.18 -0.24 0.00 -0.47 0.00 0.00 55.73 53.84 1mvb s ARG 49 Cb -0.02 0.35 0.04 0.00 -0.57 0.00 0.00 34.95 34.74 1mvb s ARG 49 CO -0.00 -0.37 0.94 -1.14 -1.08 0.00 0.00 175.30 173.65 1mvb s GLN 50 N -3.96 3.38 0.19 3.89 0.74 -1.26 0.36 119.66 122.99 1mvb s GLN 50 Ca 0.16 -0.16 -0.01 0.00 0.05 0.00 0.00 55.36 55.40 1mvb s GLN 50 Cb 0.04 -4.02 0.12 0.00 1.10 0.00 0.00 33.01 30.25 1mvb s GLN 50 CO -0.02 -1.43 1.48 0.66 -0.55 0.00 0.00 175.29 175.44 1mvb h SER 51 N 9.26 0.47 -3.22 6.67 4.64 -1.32 -3.47 113.55 126.57 1mvb h SER 51 Ca -0.26 -0.28 -0.20 0.00 -0.47 0.00 0.00 61.79 60.58 1mvb h SER 51 Cb 1.07 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 62.97 1mvb h SER 51 CO 1.07 0.99 -0.16 -1.54 -0.87 0.00 0.00 176.83 176.32 1mvb n SER 52 N -3.88 -0.60 0.24 4.97 3.41 -1.07 -4.98 113.62 111.72 1mvb n SER 52 Ca -0.04 -2.13 0.10 0.00 -0.26 0.00 0.00 58.87 56.54 1mvb n SER 52 Cb 0.66 1.20 0.60 0.00 -0.26 0.00 0.00 64.21 66.40 1mvb n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mvb h ALA 53 N 1.69 1.32 -0.01 7.33 0.00 -2.04 -3.05 119.26 124.50 1mvb h ALA 53 Ca -0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1mvb h ALA 53 Cb 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1mvb h ALA 53 CO 0.20 0.24 -0.14 0.94 0.00 0.00 0.00 179.25 180.48 1mvb n GLN 54 N -3.78 1.44 -4.08 0.00 -0.06 -1.26 -4.92 117.38 104.73 1mvb n GLN 54 Ca -0.02 -0.90 -0.11 0.00 -2.00 0.00 0.00 57.00 53.98 1mvb n GLN 54 Cb 0.29 -1.18 -0.11 0.00 -4.06 0.00 0.00 30.24 25.19 1mvb n GLN 54 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 1mvb s ASN 55 N -1.30 0.78 0.13 1.69 0.01 -1.15 -0.64 114.94 114.45 1mvb s ASN 55 Ca 0.12 -0.74 0.11 0.00 -0.71 0.00 0.00 52.86 51.63 1mvb s ASN 55 Cb 0.10 0.09 -0.04 0.00 0.41 0.00 0.00 41.25 41.81 1mvb s ASN 55 CO 0.23 -0.36 -0.27 -0.13 -1.51 0.00 0.00 177.10 175.07 1mvb s ARG 56 N -2.57 1.41 -0.06 -0.60 0.52 -0.40 -0.93 118.95 116.32 1mvb s ARG 56 Ca -0.02 -1.35 0.02 0.00 -0.52 0.00 0.00 55.73 53.86 1mvb s ARG 56 Cb -0.03 -1.90 0.01 0.00 0.52 0.00 0.00 34.95 33.55 1mvb s ARG 56 CO -0.03 0.45 -0.11 0.15 0.02 0.00 0.00 175.30 175.78 1mvb s LYS 57 N -2.08 1.49 -0.21 3.54 1.02 0.16 -1.25 119.74 122.41 1mvb s LYS 57 Ca 0.14 -0.37 -0.11 0.00 0.02 0.00 0.00 55.97 55.66 1mvb s LYS 57 Cb -0.10 -1.27 -0.05 0.00 -0.52 0.00 0.00 37.83 35.89 1mvb s LYS 57 CO 0.06 0.04 0.15 0.71 -0.92 0.00 0.00 175.35 175.39 1mvb s TYR 58 N 0.60 3.38 -0.25 3.18 1.51 -0.17 -1.66 117.35 123.95 1mvb s TYR 58 Ca -0.12 0.32 -0.05 0.00 -1.01 0.00 0.00 57.07 56.21 1mvb s TYR 58 Cb -0.15 -2.21 -0.00 0.00 -0.11 0.00 0.00 41.96 39.49 1mvb s TYR 58 CO 0.03 0.21 0.00 -1.12 -1.11 0.00 0.00 175.55 173.56 1mvb s SER 59 N 0.60 4.63 -0.09 2.29 0.01 0.49 -1.68 113.70 119.95 1mvb s SER 59 Ca 0.09 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 56.87 1mvb s SER 59 Cb -0.12 -1.79 0.01 0.00 0.21 0.00 0.00 66.02 64.33 1mvb s SER 59 CO 0.01 -0.08 -0.16 -0.63 0.41 0.00 0.00 173.24 172.79 1mvb s ILE 60 N 1.49 1.52 -0.01 1.44 1.01 -0.49 -1.63 121.20 124.54 1mvb s ILE 60 Ca 0.04 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.07 1mvb s ILE 60 Cb -0.15 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 1mvb s ILE 60 CO -0.01 0.44 -0.17 -0.54 0.00 0.00 0.00 174.94 174.66 1mvb s LYS 61 N 0.74 1.39 -0.02 2.79 1.02 -0.81 -0.66 119.74 124.20 1mvb s LYS 61 Ca -0.12 -0.63 0.03 0.00 0.02 0.00 0.00 55.97 55.28 1mvb s LYS 61 Cb -0.16 -1.35 -0.00 0.00 -0.52 0.00 0.00 37.83 35.79 1mvb s LYS 61 CO 0.02 0.37 -0.12 0.08 -0.92 0.00 0.00 175.35 174.79 1mvb s VAL 62 N -0.42 0.95 -0.10 3.17 1.01 -0.45 -0.84 120.40 123.72 1mvb s VAL 62 Ca 0.07 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1mvb s VAL 62 Cb -0.07 -0.81 -0.00 0.00 0.00 0.00 0.00 36.38 35.50 1mvb s VAL 62 CO -0.01 0.28 -0.22 -1.61 0.00 0.00 0.00 175.10 173.54 1mvb s GLU 63 N -0.11 3.08 -0.10 2.72 2.02 0.03 -0.36 118.70 125.98 1mvb s GLU 63 Ca 0.01 -0.85 0.03 0.00 0.02 0.00 0.00 54.97 54.18 1mvb s GLU 63 Cb -0.07 -2.34 0.01 0.00 0.10 0.00 0.00 34.13 31.83 1mvb s GLU 63 CO 0.00 0.20 -0.18 0.08 0.02 0.00 0.00 175.26 175.38 1mvb s VAL 64 N 0.31 1.62 0.40 2.63 1.01 -0.75 -1.93 120.40 123.69 1mvb s VAL 64 Ca -0.17 -0.74 -0.24 0.00 0.00 0.00 0.00 61.98 60.83 1mvb s VAL 64 Cb -0.17 -1.45 -0.09 0.00 0.00 0.00 0.00 36.38 34.67 1mvb s VAL 64 CO 0.08 0.46 1.05 -2.16 0.00 0.00 0.00 175.10 174.54 1mvb s PRO 65 N 0.71 4.16 -0.19 2.72 0.04 -1.26 -1.16 135.00 140.02 1mvb s PRO 65 Ca -0.12 1.51 -0.29 0.00 0.04 0.00 0.00 61.00 62.14 1mvb s PRO 65 Cb -0.16 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.84 1mvb s PRO 65 CO 0.03 -0.14 1.07 0.21 0.04 0.00 0.00 177.00 178.20 1mvb s LYS 66 N -2.50 4.29 -0.17 4.56 2.20 0.23 -4.89 119.74 123.47 1mvb s LYS 66 Ca 0.58 1.41 0.06 0.00 -0.36 0.00 0.00 55.97 57.66 1mvb s LYS 66 Cb -0.22 -3.63 -0.22 0.00 -1.51 0.00 0.00 37.83 32.24 1mvb s LYS 66 CO 0.28 -0.58 0.15 0.28 -0.36 0.00 0.00 175.35 175.12 1mvb n VAL 67 N 5.16 1.56 -1.68 4.02 0.31 -1.26 -4.66 118.33 121.78 1mvb n VAL 67 Ca 0.12 -0.71 -0.43 0.00 -0.01 0.00 0.00 64.34 63.31 1mvb n VAL 67 Cb 0.46 -1.18 -0.03 0.00 -0.91 0.00 0.00 33.84 32.19 1mvb n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1mvb n ALA 68 N -2.94 1.93 -1.14 3.52 0.00 -1.26 -1.37 120.51 119.26 1mvb n ALA 68 Ca -0.34 0.29 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 1mvb n ALA 68 Cb 1.06 -2.61 -0.02 0.00 0.00 0.00 0.00 19.45 17.88 1mvb n ALA 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1mvb n THR 69 N 4.94 0.00 -2.15 0.00 -2.24 -1.26 -5.01 114.28 108.56 1mvb n THR 69 Ca 0.19 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.58 1mvb n THR 69 Cb 0.38 -0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 67.81 1mvb n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1mvb s GLN 70 N -1.89 3.93 -0.33 -0.78 0.74 -0.47 -5.01 119.66 115.85 1mvb s GLN 70 Ca 0.00 2.00 -0.06 0.00 0.05 0.00 0.00 55.36 57.35 1mvb s GLN 70 Cb 0.00 -2.66 0.04 0.00 1.10 0.00 0.00 33.01 31.48 1mvb s GLN 70 CO 0.00 -0.47 0.09 0.99 -0.55 0.00 0.00 175.29 175.35 1mvb s THR 71 N -1.35 3.75 0.05 -0.34 2.01 -1.26 -5.05 115.64 113.45 1mvb s THR 71 Ca 0.58 -1.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 1mvb s THR 71 Cb -0.34 -3.09 -0.08 0.00 0.01 0.00 0.00 72.50 68.99 1mvb s THR 71 CO 0.43 -0.13 1.74 -0.69 -0.69 0.00 0.00 174.62 175.29 1mvb s VAL 72 N 1.41 3.05 0.00 3.82 1.01 -1.26 -1.20 120.40 127.23 1mvb s VAL 72 Ca -0.01 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1mvb s VAL 72 Cb -0.19 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1mvb s VAL 72 CO 0.02 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1mvb n GLY 73 N 4.16 0.78 3.92 4.51 0.00 -1.26 -5.03 105.19 112.28 1mvb n GLY 73 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1mvb n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mvb s GLY 74 N -2.00 1.67 -0.44 -0.02 0.00 -0.34 -5.02 107.32 101.16 1mvb s GLY 74 Ca 0.00 -0.87 -0.19 0.00 0.00 0.00 0.00 44.72 43.67 1mvb s GLY 74 CO 0.00 -0.46 0.53 0.14 0.00 0.00 0.00 173.10 173.31 1mvb s VAL 75 N -3.27 4.97 -0.33 1.40 1.01 -1.26 -4.99 120.40 117.93 1mvb s VAL 75 Ca 0.60 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.25 1mvb s VAL 75 Cb -0.11 -4.14 0.04 0.00 0.00 0.00 0.00 36.38 32.17 1mvb s VAL 75 CO 0.45 -0.56 0.08 -1.61 0.00 0.00 0.00 175.10 173.47 1mvb s GLU 76 N 2.41 2.60 0.08 2.72 2.02 -1.26 -5.09 118.70 122.18 1mvb s GLU 76 Ca 0.15 -1.19 0.10 0.00 0.02 0.00 0.00 54.97 54.05 1mvb s GLU 76 Cb -0.17 -3.40 -0.03 0.00 0.10 0.00 0.00 34.13 30.63 1mvb s GLU 76 CO 0.15 -0.65 -0.26 -0.51 0.02 0.00 0.00 175.26 174.01 1mvb s LEU 77 N 1.38 2.23 0.36 1.80 2.01 -1.26 -4.03 118.68 121.17 1mvb s LEU 77 Ca -0.02 -0.65 -0.25 0.00 0.01 0.00 0.00 54.13 53.23 1mvb s LEU 77 Cb -0.19 -1.20 -0.10 0.00 0.01 0.00 0.00 46.19 44.70 1mvb s LEU 77 CO 0.02 0.21 0.95 -2.16 1.01 0.00 0.00 176.35 176.37 1mvb s PRO 78 N -1.57 4.47 0.35 1.29 0.04 -1.26 -5.00 135.00 133.32 1mvb s PRO 78 Ca 0.12 1.27 0.12 0.00 0.04 0.00 0.00 61.00 62.55 1mvb s PRO 78 Cb -0.10 -2.61 0.93 0.00 0.04 0.00 0.00 34.50 32.76 1mvb s PRO 78 CO 0.04 0.18 1.78 0.28 0.04 0.00 0.00 177.00 179.31 1mvb h VAL 79 N 2.39 0.61 0.00 -0.36 2.07 -2.00 -0.21 116.25 118.76 1mvb h VAL 79 Ca -0.47 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1mvb h VAL 79 Cb 1.19 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1mvb h VAL 79 CO 0.64 0.10 0.00 0.00 0.02 0.00 0.00 177.57 178.33 1mvb h ALA 80 N 1.65 1.00 0.00 1.67 0.00 -1.92 -2.30 119.26 119.36 1mvb h ALA 80 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1mvb h ALA 80 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1mvb h ALA 80 CO -0.34 0.00 -0.50 0.00 0.00 0.00 0.00 179.25 178.41 1mvb n ALA 81 N -1.80 3.18 -0.14 0.00 0.00 -0.09 -4.16 120.51 117.50 1mvb n ALA 81 Ca 0.02 -0.28 0.03 0.00 0.00 0.00 0.00 53.44 53.21 1mvb n ALA 81 Cb 0.24 -1.18 0.09 0.00 0.00 0.00 0.00 19.45 18.60 1mvb n ALA 81 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1mvb n TRP 82 N -1.74 0.27 -3.82 0.00 7.02 -0.87 -4.91 117.44 113.38 1mvb n TRP 82 Ca 0.05 -0.52 -0.12 0.00 -1.02 0.00 0.00 57.50 55.89 1mvb n TRP 82 Cb 0.38 -0.05 -0.11 0.00 -2.42 0.00 0.00 31.31 29.11 1mvb n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1mvb s ARG 83 N -1.08 0.34 0.03 -0.99 0.52 -1.20 -0.60 118.95 115.98 1mvb s ARG 83 Ca 0.14 0.01 0.03 0.00 -0.52 0.00 0.00 55.73 55.39 1mvb s ARG 83 Cb 0.08 0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.67 1mvb s ARG 83 CO 0.09 -0.07 -0.03 -1.12 0.02 0.00 0.00 175.30 174.19 1mvb s SER 84 N -0.50 4.89 -0.13 0.23 0.01 -0.31 -4.92 113.70 112.97 1mvb s SER 84 Ca -0.06 -0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.10 1mvb s SER 84 Cb -0.04 -1.19 0.02 0.00 0.21 0.00 0.00 66.02 65.02 1mvb s SER 84 CO 0.01 0.25 -0.14 -0.31 0.41 0.00 0.00 173.24 173.46 1mvb s TYR 85 N -1.11 2.03 -0.11 2.43 2.02 -1.26 -1.82 117.35 119.53 1mvb s TYR 85 Ca 0.20 -1.05 -0.03 0.00 -0.37 0.00 0.00 57.07 55.81 1mvb s TYR 85 Cb -0.11 -1.49 -0.03 0.00 -0.40 0.00 0.00 41.96 39.92 1mvb s TYR 85 CO 0.11 -0.57 0.02 -1.17 -1.57 0.00 0.00 175.55 172.37 1mvb s LEU 86 N 1.29 3.67 -0.20 -1.29 2.96 0.52 -4.98 118.68 120.64 1mvb s LEU 86 Ca -0.00 0.14 -0.03 0.00 -0.22 0.00 0.00 54.13 54.02 1mvb s LEU 86 Cb -0.14 -1.86 0.06 0.00 0.50 0.00 0.00 46.19 44.75 1mvb s LEU 86 CO -0.07 0.33 0.06 0.21 -1.32 0.00 0.00 176.35 175.56 1mvb s ASN 87 N -0.58 2.86 -0.07 3.68 3.84 -1.26 -1.33 114.94 122.07 1mvb s ASN 87 Ca 0.10 -0.84 0.04 0.00 0.21 0.00 0.00 52.86 52.37 1mvb s ASN 87 Cb -0.12 -0.50 -0.02 0.00 -0.55 0.00 0.00 41.25 40.07 1mvb s ASN 87 CO 0.02 -0.33 -0.19 -0.04 -2.79 0.00 0.00 177.10 173.77 1mvb s MET 88 N 1.94 2.72 -0.12 0.43 -1.94 0.16 -5.01 119.30 117.48 1mvb s MET 88 Ca 0.01 -0.79 0.01 0.00 -1.71 0.00 0.00 55.69 53.21 1mvb s MET 88 Cb -0.17 -2.33 0.02 0.00 2.01 0.00 0.00 34.83 34.36 1mvb s MET 88 CO -0.11 0.42 -0.14 -1.21 -0.01 0.00 0.00 175.02 173.97 1mvb s GLU 89 N -0.23 2.16 -0.25 2.03 2.02 -1.26 -1.39 118.70 121.78 1mvb s GLU 89 Ca -0.00 -0.53 -0.01 0.00 0.02 0.00 0.00 54.97 54.45 1mvb s GLU 89 Cb -0.13 -1.92 0.03 0.00 0.10 0.00 0.00 34.13 32.21 1mvb s GLU 89 CO 0.03 -0.14 -0.06 -1.17 0.02 0.00 0.00 175.26 173.94 1mvb s LEU 90 N 1.21 3.24 -0.24 1.80 2.96 -0.68 -4.97 118.68 122.01 1mvb s LEU 90 Ca -0.02 -0.95 -0.09 0.00 -0.22 0.00 0.00 54.13 52.85 1mvb s LEU 90 Cb -0.14 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 1mvb s LEU 90 CO -0.05 -0.14 0.12 -0.89 -1.32 0.00 0.00 176.35 174.07 1mvb s THR 91 N 1.30 4.87 -0.11 3.68 2.01 -1.26 -1.00 115.64 125.12 1mvb s THR 91 Ca -0.01 0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.01 1mvb s THR 91 Cb -0.17 -3.27 0.02 0.00 0.01 0.00 0.00 72.50 69.08 1mvb s THR 91 CO -0.04 0.34 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.46 1mvb s ILE 92 N 1.34 1.38 0.50 1.82 1.01 -0.38 -4.97 121.20 121.89 1mvb s ILE 92 Ca 0.06 -0.55 -0.23 0.00 0.00 0.00 0.00 60.65 59.92 1mvb s ILE 92 Cb -0.15 -1.29 -0.07 0.00 0.01 0.00 0.00 42.46 40.97 1mvb s ILE 92 CO 0.05 0.42 1.38 -2.84 0.00 0.00 0.00 174.94 173.96 1mvb s PRO 93 N 1.18 3.43 0.00 2.79 0.02 -1.26 -1.28 135.00 139.88 1mvb s PRO 93 Ca -0.03 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.29 1mvb s PRO 93 Cb -0.14 -2.46 0.00 0.00 0.02 0.00 0.00 34.50 31.92 1mvb s PRO 93 CO -0.04 -0.98 0.98 0.44 -0.33 0.00 0.00 177.00 177.07 1mvb n ILE 94 N -0.60 1.94 0.90 2.83 -5.35 0.19 -1.54 119.36 117.72 1mvb n ILE 94 Ca 0.08 0.50 0.13 0.00 -0.27 0.00 0.00 62.75 63.18 1mvb n ILE 94 Cb 0.44 -1.50 0.35 0.00 -1.74 0.00 0.00 39.64 37.19 1mvb n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1mvb n PHE 95 N -1.48 0.17 -2.02 4.28 3.72 -1.26 -4.88 117.46 115.98 1mvb n PHE 95 Ca 0.00 0.05 -0.42 0.00 -0.05 0.00 0.00 57.45 57.03 1mvb n PHE 95 Cb 0.01 -0.45 -0.03 0.00 -0.94 0.00 0.00 39.48 38.08 1mvb n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mvb s ALA 96 N -3.04 3.64 0.98 4.37 0.00 -0.59 -5.00 121.76 122.13 1mvb s ALA 96 Ca 0.11 1.04 -0.15 0.00 0.00 0.00 0.00 51.96 52.97 1mvb s ALA 96 Cb 0.17 -3.69 0.21 0.00 0.00 0.00 0.00 23.12 19.81 1mvb s ALA 96 CO 0.65 -1.15 1.22 0.25 0.00 0.00 0.00 175.76 176.73 1mvb n THR 97 N 4.94 0.00 -0.07 0.00 -2.24 -1.26 -4.83 114.28 110.82 1mvb n THR 97 Ca 0.16 -0.95 -0.03 0.00 -2.27 0.00 0.00 64.05 60.95 1mvb n THR 97 Cb 0.42 -1.50 0.20 0.00 -2.10 0.00 0.00 70.33 67.34 1mvb n THR 97 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1mvb h ASN 98 N -1.56 0.67 -0.65 3.42 4.21 -1.98 -1.34 115.58 118.34 1mvb h ASN 98 Ca -0.40 -0.16 -0.08 0.00 1.21 0.00 0.00 56.30 56.88 1mvb h ASN 98 Cb 1.11 -0.18 -0.03 0.00 -1.12 0.00 0.00 38.32 38.11 1mvb h ASN 98 CO 0.29 0.75 0.09 0.28 -1.29 0.00 0.00 177.43 177.56 1mvb h SER 99 N 0.65 1.05 -0.44 5.81 0.02 -1.99 0.11 113.55 118.77 1mvb h SER 99 Ca 0.13 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1mvb h SER 99 Cb 0.44 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1mvb h SER 99 CO 0.02 1.05 0.25 0.44 -1.14 0.00 0.00 176.83 177.45 1mvb h ASP 100 N 1.01 0.54 -0.01 3.07 3.32 -1.80 -2.50 116.42 120.04 1mvb h ASP 100 Ca 0.20 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1mvb h ASP 100 Cb 0.45 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1mvb h ASP 100 CO 0.01 0.46 -0.05 0.00 -1.72 0.00 0.00 179.24 177.94 1mvb h GLU 102 N 0.17 0.66 -0.42 0.00 5.08 -0.44 -2.06 114.58 117.57 1mvb h GLU 102 Ca 0.04 -0.24 -0.12 0.00 -1.00 0.00 0.00 59.36 58.04 1mvb h GLU 102 Cb 0.20 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1mvb h GLU 102 CO 0.01 0.81 -0.21 1.25 -1.00 0.00 0.00 179.01 179.87 1mvb h LEU 103 N 0.59 0.92 -1.18 1.33 5.85 -0.94 -1.80 115.31 120.08 1mvb h LEU 103 Ca 0.09 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 1mvb h LEU 103 Cb 0.65 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1mvb h LEU 103 CO 0.05 1.13 0.34 0.40 -0.34 0.00 0.00 178.44 180.01 1mvb h ILE 104 N 0.72 1.20 -0.52 4.05 2.04 -1.19 -0.24 117.51 123.56 1mvb h ILE 104 Ca 0.09 -0.53 -0.10 0.00 1.00 0.00 0.00 64.86 65.33 1mvb h ILE 104 Cb 0.78 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1mvb h ILE 104 CO 0.06 0.23 -0.05 0.58 0.00 0.00 0.00 178.15 178.97 1mvb h VAL 105 N 0.91 1.27 -0.65 1.67 2.07 -1.14 -2.18 116.25 118.20 1mvb h VAL 105 Ca 0.23 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 1mvb h VAL 105 Cb 0.05 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1mvb h VAL 105 CO -0.04 0.41 0.18 0.11 0.02 0.00 0.00 177.57 178.26 1mvb h LYS 106 N 0.82 1.03 -0.83 1.57 1.57 -0.59 -1.20 116.57 118.94 1mvb h LYS 106 Ca 0.14 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1mvb h LYS 106 Cb 0.60 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 1mvb h LYS 106 CO 0.04 0.91 0.55 0.00 -0.57 0.00 0.00 179.45 180.38 1mvb h ALA 107 N 1.07 1.41 -0.39 3.86 0.00 -0.89 0.82 119.26 125.13 1mvb h ALA 107 Ca 0.21 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1mvb h ALA 107 Cb 0.33 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1mvb h ALA 107 CO -0.00 0.55 -0.20 0.52 0.00 0.00 0.00 179.25 180.12 1mvb h MET 108 N 1.12 0.82 0.00 0.00 2.86 -0.84 -2.10 114.93 116.80 1mvb h MET 108 Ca 0.30 -0.36 -0.10 0.00 -2.06 0.00 0.00 59.70 57.48 1mvb h MET 108 Cb -0.13 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 1mvb h MET 108 CO -0.07 0.99 -0.48 -0.56 1.06 0.00 0.00 176.91 177.86 1mvb h GLN 109 N 0.63 0.00 -0.26 1.72 3.07 -0.82 -3.14 115.11 116.31 1mvb h GLN 109 Ca 0.09 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.63 1mvb h GLN 109 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.32 1mvb h GLN 109 CO 0.06 0.48 -0.60 0.78 0.09 0.00 0.00 178.83 179.65 1mvb h GLY 110 N 2.34 0.93 0.49 0.06 0.00 -0.77 -1.89 103.07 104.24 1mvb h GLY 110 Ca -0.00 -1.13 0.13 0.00 0.00 0.00 0.00 47.33 46.32 1mvb h GLY 110 CO 0.06 1.02 0.61 -2.00 0.00 0.00 0.00 176.54 176.23 1mvb h LEU 111 N 0.64 0.85 -2.10 3.11 5.85 -1.33 -2.74 115.31 119.58 1mvb h LEU 111 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1mvb h LEU 111 Cb 1.21 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1mvb h LEU 111 CO 0.13 0.44 0.00 0.18 -0.34 0.00 0.00 178.44 178.85 1mvb n LEU 112 N -4.60 3.15 -4.74 2.25 4.77 -1.17 -4.37 117.00 112.29 1mvb n LEU 112 Ca 0.18 -1.24 -0.40 0.00 -0.03 0.00 0.00 56.01 54.52 1mvb n LEU 112 Cb 0.39 -0.12 0.02 0.00 -2.33 0.00 0.00 43.42 41.39 1mvb n LEU 112 CO 0.28 0.61 0.98 1.17 -1.33 0.00 0.00 177.39 179.10 1mvb n LYS 113 N 1.36 1.99 -1.67 3.23 4.81 -0.72 -4.79 118.16 122.38 1mvb n LYS 113 Ca 0.16 0.71 -0.44 0.00 -0.87 0.00 0.00 58.31 57.87 1mvb n LYS 113 Cb 0.58 -2.54 -0.02 0.00 0.02 0.00 0.00 35.03 33.07 1mvb n LYS 113 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1mvb n ASP 114 N -0.29 2.57 0.00 3.14 9.92 -1.26 -1.91 116.55 128.72 1mvb n ASP 114 Ca 0.07 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.49 1mvb n ASP 114 Cb 0.42 -1.42 0.00 0.00 -0.64 0.00 0.00 41.12 39.48 1mvb n ASP 114 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1mvb n GLY 115 N 1.76 3.22 3.79 0.44 0.00 -1.26 -5.05 105.19 108.09 1mvb n GLY 115 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1mvb n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mvb s ASN 116 N -0.58 6.34 0.24 1.61 0.01 -0.80 -4.88 114.94 116.88 1mvb s ASN 116 Ca 0.00 2.03 -0.11 0.00 -0.71 0.00 0.00 52.86 54.06 1mvb s ASN 116 Cb 0.00 -2.57 0.33 0.00 0.41 0.00 0.00 41.25 39.41 1mvb s ASN 116 CO 0.00 -0.79 1.60 1.55 -1.51 0.00 0.00 177.10 177.95 1mvb h PRO 117 N 1.78 -0.01 0.66 -0.60 0.13 -1.88 -2.81 132.00 129.27 1mvb h PRO 117 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1mvb h PRO 117 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1mvb h PRO 117 CO 0.60 -0.00 -0.38 0.82 -0.23 0.00 0.00 178.00 178.80 1mvb h ILE 118 N -0.01 0.23 -0.11 -3.56 1.08 -1.93 -0.58 117.51 112.62 1mvb h ILE 118 Ca 0.38 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.83 1mvb h ILE 118 Cb 0.58 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 1mvb h ILE 118 CO -0.82 0.00 -0.00 1.55 -0.69 0.00 0.00 178.15 178.19 1mvb h PRO 119 N -0.97 0.16 0.00 2.37 0.13 -1.75 -2.18 132.00 129.76 1mvb h PRO 119 Ca -0.08 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.92 1mvb h PRO 119 Cb 0.78 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 1mvb h PRO 119 CO 0.10 0.18 -0.52 0.66 -0.23 0.00 0.00 178.00 178.19 1mvb h SER 120 N 0.16 0.00 -0.01 1.44 4.64 -1.32 -1.90 113.55 116.56 1mvb h SER 120 Ca 0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1mvb h SER 120 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1mvb h SER 120 CO 0.00 0.52 -0.01 0.00 -0.87 0.00 0.00 176.83 176.48 1mvb h ALA 121 N 1.48 0.02 0.01 5.18 0.00 -0.51 -2.84 119.26 122.60 1mvb h ALA 121 Ca -0.01 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1mvb h ALA 121 Cb 1.19 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1mvb h ALA 121 CO 0.07 -0.26 -0.05 0.82 0.00 0.00 0.00 179.25 179.83 1mvb h ILE 122 N -0.38 0.88 0.00 0.00 2.04 -1.37 0.10 117.51 118.77 1mvb h ILE 122 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1mvb h ILE 122 Cb 0.43 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1mvb h ILE 122 CO 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 178.15 178.10 1mvb h ALA 123 N 0.89 1.58 -0.66 1.87 0.00 -1.42 -1.62 119.26 119.91 1mvb h ALA 123 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1mvb h ALA 123 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1mvb h ALA 123 CO -0.04 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1mvb n ALA 124 N -2.38 2.82 -3.65 0.00 0.00 -0.96 -4.93 120.51 111.41 1mvb n ALA 124 Ca -0.03 -1.40 -0.25 0.00 0.00 0.00 0.00 53.44 51.76 1mvb n ALA 124 Cb 0.14 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 18.66 1mvb n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mvb n ASN 125 N 1.27 -5.86 -4.43 0.00 3.02 -0.61 -4.98 115.26 103.67 1mvb n ASN 125 Ca 0.24 -0.59 -0.21 0.00 -0.03 0.00 0.00 54.58 53.99 1mvb n ASN 125 Cb 0.76 -4.82 -0.10 0.00 -0.61 0.00 0.00 39.78 35.01 1mvb n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1mvb s SER 126 N -3.38 2.27 0.00 6.41 0.01 0.31 -5.03 113.70 114.30 1mvb s SER 126 Ca 0.57 -1.39 0.00 0.00 1.31 0.00 0.00 55.95 56.44 1mvb s SER 126 Cb -0.26 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 65.93 1mvb s SER 126 CO 0.75 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1mvb n GLY 127 N -0.67 2.53 3.87 3.44 0.00 -1.26 -4.27 105.19 108.83 1mvb n GLY 127 Ca -0.02 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.61 1mvb n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mvb s ILE 128 N 1.89 5.22 0.00 -0.61 -1.09 -1.26 -4.83 121.20 120.53 1mvb s ILE 128 Ca 0.00 0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.75 1mvb s ILE 128 Cb 0.00 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 1mvb s ILE 128 CO 0.00 0.38 0.00 0.00 -1.23 0.00 0.00 174.94 174.09