#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2joe s GLY 2 N 0.00 0.39 0.00 3.03 0.00 -1.26 -4.64 107.32 104.83 2joe s GLY 2 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.93 2joe s GLY 2 CO 0.00 3.36 0.00 1.34 0.00 0.00 0.00 173.10 177.80 2joe n ASP 3 N 13.13 0.00 -4.36 1.64 2.03 -1.26 -5.04 116.55 122.69 2joe n ASP 3 Ca 0.40 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.40 2joe n ASP 3 Cb 0.47 -0.14 -0.15 0.00 -0.72 0.00 0.00 41.12 40.59 2joe n ASP 3 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2joe s LYS 4 N -0.58 2.39 1.29 -0.67 1.02 -1.26 -5.00 119.74 116.92 2joe s LYS 4 Ca 0.00 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.16 2joe s LYS 4 Cb 0.00 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 2joe s LYS 4 CO 0.00 0.53 0.00 0.39 -0.92 0.00 0.00 175.35 175.35 2joe n GLU 5 N 2.54 -0.85 -3.95 1.68 4.71 -1.26 -4.94 120.64 118.56 2joe n GLU 5 Ca -0.17 0.56 -0.12 0.00 -0.01 0.00 0.00 57.16 57.42 2joe n GLU 5 Cb 0.52 -1.04 -0.13 0.00 -1.01 0.00 0.00 31.44 29.77 2joe n GLU 5 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2joe s GLU 6 N -0.71 0.16 -0.20 3.49 2.56 0.96 -4.87 118.70 120.10 2joe s GLU 6 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.97 54.76 2joe s GLU 6 Cb 0.00 -0.06 0.01 0.00 2.00 0.00 0.00 34.13 36.09 2joe s GLU 6 CO 0.00 0.01 -0.13 -1.54 -0.56 0.00 0.00 175.26 173.04 2joe s SER 7 N -0.43 3.66 -0.29 -1.70 1.04 -1.25 -0.11 113.70 114.62 2joe s SER 7 Ca -0.04 -0.61 -0.03 0.00 0.48 0.00 0.00 55.95 55.75 2joe s SER 7 Cb -0.03 -1.58 0.03 0.00 0.10 0.00 0.00 66.02 64.54 2joe s SER 7 CO -0.00 -0.02 0.01 -0.54 0.98 0.00 0.00 173.24 173.66 2joe s LYS 8 N 1.35 2.69 -0.13 4.02 1.02 0.66 -4.85 119.74 124.51 2joe s LYS 8 Ca 0.04 -1.10 -0.06 0.00 0.02 0.00 0.00 55.97 54.87 2joe s LYS 8 Cb -0.14 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 2joe s LYS 8 CO -0.09 -0.53 0.10 0.21 -0.92 0.00 0.00 175.35 174.12 2joe s LYS 9 N 1.34 3.47 0.10 1.68 2.20 -1.26 -0.14 119.74 127.13 2joe s LYS 9 Ca -0.02 -0.22 -0.06 0.00 -0.36 0.00 0.00 55.97 55.31 2joe s LYS 9 Cb -0.18 -3.13 -0.02 0.00 -1.51 0.00 0.00 37.83 32.99 2joe s LYS 9 CO -0.01 0.66 0.14 -0.59 -0.36 0.00 0.00 175.35 175.20 2joe s PHE 10 N -0.71 0.40 -0.22 4.03 -0.71 -0.58 0.83 117.98 121.01 2joe s PHE 10 Ca 0.13 -0.83 -0.08 0.00 -1.04 0.00 0.00 56.93 55.10 2joe s PHE 10 Cb -0.12 -0.19 0.10 0.00 -1.21 0.00 0.00 43.02 41.59 2joe s PHE 10 CO 0.03 -0.55 0.49 -1.54 -1.34 0.00 0.00 175.22 172.31 2joe s SER 11 N -2.93 -0.54 -0.23 1.98 1.04 -1.10 -1.57 113.70 110.35 2joe s SER 11 Ca 0.11 1.15 0.01 0.00 0.48 0.00 0.00 55.95 57.70 2joe s SER 11 Cb 0.06 1.52 0.04 0.00 0.10 0.00 0.00 66.02 67.73 2joe s SER 11 CO -0.06 -0.23 -0.12 0.00 0.98 0.00 0.00 173.24 173.81 2joe s ALA 12 N 2.49 2.54 -0.54 5.32 0.00 0.62 -4.55 121.76 127.66 2joe s ALA 12 Ca -0.04 -1.52 -0.21 0.00 0.00 0.00 0.00 51.96 50.19 2joe s ALA 12 Cb -0.11 -1.51 0.05 0.00 0.00 0.00 0.00 23.12 21.55 2joe s ALA 12 CO -0.15 -0.84 0.77 -0.80 0.00 0.00 0.00 175.76 174.75 2joe s ASN 13 N 1.23 6.26 -0.18 0.00 -0.87 -1.26 -1.05 114.94 119.06 2joe s ASN 13 Ca -0.02 -0.73 0.05 0.00 -1.57 0.00 0.00 52.86 50.58 2joe s ASN 13 Cb -0.17 -2.35 0.39 0.00 -0.02 0.00 0.00 41.25 39.10 2joe s ASN 13 CO -0.07 -1.07 1.32 0.18 -2.57 0.00 0.00 177.10 174.89 2joe n LEU 14 N 6.77 4.22 -2.72 0.60 4.77 -0.15 -4.91 117.00 125.57 2joe n LEU 14 Ca -0.03 -2.18 -0.01 0.00 -0.03 0.00 0.00 56.01 53.76 2joe n LEU 14 Cb 0.46 -0.64 -0.01 0.00 -2.33 0.00 0.00 43.42 40.91 2joe n LEU 14 CO 0.58 0.62 -0.52 0.59 -1.33 0.00 0.00 177.39 177.33 2joe n ASN 15 N -0.01 -7.07 0.00 -1.43 3.02 -1.26 -4.54 115.26 103.96 2joe n ASN 15 Ca 0.23 1.40 0.00 0.00 -0.03 0.00 0.00 54.58 56.18 2joe n ASN 15 Cb 0.93 -5.22 0.00 0.00 -0.61 0.00 0.00 39.78 34.88 2joe n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2joe n GLY 16 N 0.86 1.98 3.05 7.41 0.00 -1.26 -5.05 105.19 112.18 2joe n GLY 16 Ca -0.05 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 2joe n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2joe s THR 17 N -0.65 1.21 -0.42 2.61 -4.23 -1.25 -0.94 115.64 111.98 2joe s THR 17 Ca 0.00 -0.54 -0.12 0.00 -1.18 0.00 0.00 61.69 59.84 2joe s THR 17 Cb 0.00 -1.08 0.05 0.00 1.34 0.00 0.00 72.50 72.80 2joe s THR 17 CO 0.00 0.37 0.28 -1.61 -0.54 0.00 0.00 174.62 173.12 2joe s GLU 18 N 0.49 2.84 -0.53 3.99 2.02 0.45 -0.98 118.70 126.98 2joe s GLU 18 Ca -0.12 -1.23 -0.16 0.00 0.02 0.00 0.00 54.97 53.48 2joe s GLU 18 Cb -0.14 -3.89 0.11 0.00 0.10 0.00 0.00 34.13 30.30 2joe s GLU 18 CO 0.03 -0.85 0.50 0.42 0.02 0.00 0.00 175.26 175.38 2joe s ILE 19 N 1.57 5.15 -0.25 -1.63 1.01 -0.22 -0.20 121.20 126.63 2joe s ILE 19 Ca 0.03 -1.27 -0.02 0.00 0.00 0.00 0.00 60.65 59.39 2joe s ILE 19 Cb -0.21 -4.30 0.03 0.00 0.01 0.00 0.00 42.46 37.99 2joe s ILE 19 CO 0.06 -0.82 -0.06 0.00 0.00 0.00 0.00 174.94 174.13 2joe s ALA 20 N 1.79 2.71 -0.14 9.38 0.00 0.01 -0.27 121.76 135.23 2joe s ALA 20 Ca 0.05 -1.48 -0.01 0.00 0.00 0.00 0.00 51.96 50.52 2joe s ALA 20 Cb -0.27 -1.70 -0.02 0.00 0.00 0.00 0.00 23.12 21.13 2joe s ALA 20 CO 0.05 -0.84 -0.11 0.42 0.00 0.00 0.00 175.76 175.28 2joe s ILE 21 N 1.32 3.21 -0.34 0.00 1.01 -0.61 -0.89 121.20 124.91 2joe s ILE 21 Ca -0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 2joe s ILE 21 Cb -0.17 -2.37 0.06 0.00 0.01 0.00 0.00 42.46 40.00 2joe s ILE 21 CO -0.04 0.51 0.08 -0.89 0.00 0.00 0.00 174.94 174.60 2joe s THR 22 N 0.42 3.30 -0.43 2.92 2.01 0.85 -1.53 115.64 123.17 2joe s THR 22 Ca -0.09 -1.48 -0.24 0.00 0.31 0.00 0.00 61.69 60.19 2joe s THR 22 Cb -0.15 -2.98 0.02 0.00 0.01 0.00 0.00 72.50 69.40 2joe s THR 22 CO 0.05 -0.28 0.81 -0.31 -0.69 0.00 0.00 174.62 174.20 2joe s TYR 23 N 1.27 3.01 -0.52 4.92 2.02 0.80 -1.57 117.35 127.29 2joe s TYR 23 Ca -0.01 0.32 -0.18 0.00 -0.37 0.00 0.00 57.07 56.83 2joe s TYR 23 Cb -0.20 -3.65 0.08 0.00 -0.40 0.00 0.00 41.96 37.78 2joe s TYR 23 CO -0.01 -0.94 0.57 0.08 -1.57 0.00 0.00 175.55 173.69 2joe s VAL 24 N 3.33 4.98 0.16 0.71 1.01 0.66 -0.24 120.40 131.01 2joe s VAL 24 Ca 0.32 -0.82 0.10 0.00 0.00 0.00 0.00 61.98 61.58 2joe s VAL 24 Cb -0.12 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2joe s VAL 24 CO 0.22 -0.82 -0.22 -0.72 0.00 0.00 0.00 175.10 173.57 2joe s TYR 25 N 2.31 2.02 -0.58 5.22 1.13 0.84 -1.17 117.35 127.11 2joe s TYR 25 Ca 0.11 -0.41 -0.01 0.00 -1.41 0.00 0.00 57.07 55.34 2joe s TYR 25 Cb -0.22 -1.03 0.15 0.00 -1.10 0.00 0.00 41.96 39.75 2joe s TYR 25 CO 0.09 0.36 0.38 0.21 -2.51 0.00 0.00 175.55 174.07 2joe s LYS 26 N -2.49 2.37 7.22 -3.49 2.20 0.16 -0.02 119.74 125.70 2joe s LYS 26 Ca 0.15 -2.50 0.00 0.00 -0.36 0.00 0.00 55.97 53.26 2joe s LYS 26 Cb -0.08 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.63 2joe s LYS 26 CO 0.07 -1.15 0.00 0.41 -0.36 0.00 0.00 175.35 174.32 2joe n GLY 27 N 3.47 2.39 0.13 5.54 0.00 -1.26 -2.43 105.19 113.03 2joe n GLY 27 Ca 0.07 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 45.94 2joe n GLY 27 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2joe h ASP 28 N 0.00 0.00 -3.42 1.61 3.32 -2.01 -3.44 116.42 112.48 2joe h ASP 28 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 2joe h ASP 28 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 2joe h ASP 28 CO 0.00 0.37 0.29 -0.75 -1.72 0.00 0.00 179.24 177.43 2joe s LYS 29 N -3.05 3.29 -0.21 3.56 2.36 -1.02 -2.79 119.74 121.88 2joe s LYS 29 Ca 0.02 -0.39 -0.29 0.00 -2.55 0.00 0.00 55.97 52.75 2joe s LYS 29 Cb 0.08 -4.01 -0.01 0.00 -1.05 0.00 0.00 37.83 32.84 2joe s LYS 29 CO 0.76 -1.22 1.22 0.08 1.55 0.00 0.00 175.35 177.74 2joe s VAL 30 N 3.21 4.35 -0.21 4.02 1.01 -1.26 0.38 120.40 131.90 2joe s VAL 30 Ca 0.25 1.61 0.08 0.00 0.00 0.00 0.00 61.98 63.92 2joe s VAL 30 Cb -0.14 -4.10 -0.18 0.00 0.00 0.00 0.00 36.38 31.95 2joe s VAL 30 CO 0.18 -0.21 -0.09 0.18 0.00 0.00 0.00 175.10 175.16 2joe n LEU 31 N 6.72 1.72 -3.90 3.92 4.77 -0.32 -4.65 117.00 125.27 2joe n LEU 31 Ca 0.14 -0.07 -0.28 0.00 -0.03 0.00 0.00 56.01 55.77 2joe n LEU 31 Cb 0.45 -0.28 -0.17 0.00 -2.33 0.00 0.00 43.42 41.10 2joe n LEU 31 CO 0.56 0.70 -0.43 -0.54 -1.33 0.00 0.00 177.39 176.35 2joe s LYS 32 N -2.45 1.49 -0.45 3.23 1.02 -0.36 0.48 119.74 122.71 2joe s LYS 32 Ca -0.22 -0.39 -0.08 0.00 0.02 0.00 0.00 55.97 55.30 2joe s LYS 32 Cb 0.07 -1.81 0.11 0.00 -0.52 0.00 0.00 37.83 35.68 2joe s LYS 32 CO 0.62 -0.35 0.31 -1.14 -0.92 0.00 0.00 175.35 173.86 2joe s GLN 33 N 1.67 2.46 -0.90 1.68 0.74 -0.19 -0.25 119.66 124.86 2joe s GLN 33 Ca 0.03 -1.69 -0.20 0.00 0.05 0.00 0.00 55.36 53.55 2joe s GLN 33 Cb -0.14 -3.85 0.11 0.00 1.10 0.00 0.00 33.01 30.24 2joe s GLN 33 CO -0.08 -1.12 1.15 -1.12 -0.55 0.00 0.00 175.29 173.57 2joe s SER 34 N 2.43 6.55 -0.44 6.67 0.01 -0.61 -0.90 113.70 127.41 2joe s SER 34 Ca 0.05 -1.83 -0.08 0.00 1.31 0.00 0.00 55.95 55.41 2joe s SER 34 Cb -0.25 -2.42 0.10 0.00 0.21 0.00 0.00 66.02 63.66 2joe s SER 34 CO -0.00 -1.17 0.28 -0.55 0.41 0.00 0.00 173.24 172.21 2joe s SER 35 N 3.81 5.58 -0.14 2.44 0.15 0.14 -0.11 113.70 125.57 2joe s SER 35 Ca 0.33 -1.78 -0.07 0.00 0.70 0.00 0.00 55.95 55.13 2joe s SER 35 Cb -0.06 -1.96 -0.04 0.00 -1.71 0.00 0.00 66.02 62.25 2joe s SER 35 CO -0.07 -0.60 0.11 -0.70 1.20 0.00 0.00 173.24 173.17 2joe s GLU 36 N 1.34 3.61 -0.34 5.44 2.12 -0.07 -0.00 118.70 130.80 2joe s GLU 36 Ca 0.05 -0.22 0.04 0.00 0.36 0.00 0.00 54.97 55.20 2joe s GLU 36 Cb -0.24 -3.18 0.10 0.00 0.26 0.00 0.00 34.13 31.06 2joe s GLU 36 CO -0.00 0.60 0.05 0.99 -0.54 0.00 0.00 175.26 176.35 2joe s THR 37 N -0.53 2.32 -0.51 -1.70 2.01 -0.17 -0.81 115.64 116.25 2joe s THR 37 Ca 0.12 -2.29 -0.27 0.00 0.31 0.00 0.00 61.69 59.56 2joe s THR 37 Cb -0.12 -2.69 0.03 0.00 0.01 0.00 0.00 72.50 69.73 2joe s THR 37 CO 0.02 -0.57 1.07 -0.75 -0.69 0.00 0.00 174.62 173.70 2joe s LYS 38 N 0.93 3.56 -0.23 4.92 2.20 0.72 -0.96 119.74 130.87 2joe s LYS 38 Ca 0.10 0.25 -0.11 0.00 -0.36 0.00 0.00 55.97 55.85 2joe s LYS 38 Cb -0.19 -3.96 -0.05 0.00 -1.51 0.00 0.00 37.83 32.11 2joe s LYS 38 CO -0.08 -1.44 0.16 0.42 -0.36 0.00 0.00 175.35 174.05 2joe s ILE 39 N 4.34 5.37 0.55 5.43 1.01 0.57 -0.41 121.20 138.05 2joe s ILE 39 Ca 0.41 0.20 -0.16 0.00 0.00 0.00 0.00 60.65 61.10 2joe s ILE 39 Cb -0.09 -3.50 -0.06 0.00 0.01 0.00 0.00 42.46 38.82 2joe s ILE 39 CO 0.27 0.37 1.01 -1.10 0.00 0.00 0.00 174.94 175.48 2joe s GLN 40 N 0.89 3.75 -1.21 2.79 -1.52 -0.11 -0.21 119.66 124.05 2joe s GLN 40 Ca 0.08 1.00 -0.08 0.00 -1.95 0.00 0.00 55.36 54.41 2joe s GLN 40 Cb -0.13 -2.10 -0.07 0.00 -0.22 0.00 0.00 33.01 30.49 2joe s GLN 40 CO 0.03 -0.44 2.46 1.19 -0.25 0.00 0.00 175.29 178.28 2joe n PHE 41 N -1.82 1.81 0.00 0.91 3.72 0.33 -3.18 117.46 119.23 2joe n PHE 41 Ca 0.07 -2.43 0.00 0.00 -0.05 0.00 0.00 57.45 55.04 2joe n PHE 41 Cb 0.54 -2.01 0.00 0.00 -0.94 0.00 0.00 39.48 37.07 2joe n PHE 41 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2joe n ALA 42 N 3.99 2.20 1.19 4.37 0.00 -1.26 -4.63 120.51 126.37 2joe n ALA 42 Ca 0.58 0.00 0.14 0.00 0.00 0.00 0.00 53.44 54.16 2joe n ALA 42 Cb 0.17 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.29 2joe n ALA 42 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2joe n SER 43 N -1.94 0.00 -0.04 0.00 7.64 -1.19 -3.14 113.62 114.95 2joe n SER 43 Ca 0.00 0.13 -0.01 0.00 1.01 0.00 0.00 58.87 59.99 2joe n SER 43 Cb 0.00 -0.37 -0.11 0.00 -1.01 0.00 0.00 64.21 62.72 2joe n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2joe n ILE 44 N -1.37 0.56 -0.99 0.44 3.06 -1.26 -5.00 119.36 114.80 2joe n ILE 44 Ca 0.11 -0.47 0.00 0.00 -2.50 0.00 0.00 62.75 59.89 2joe n ILE 44 Cb 0.27 -0.34 0.00 0.00 0.54 0.00 0.00 39.64 40.11 2joe n ILE 44 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2joe n GLY 45 N 2.00 0.52 3.67 4.50 0.00 -1.19 -4.99 105.19 109.71 2joe n GLY 45 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 2joe n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2joe s ALA 46 N -2.18 3.61 -0.01 4.61 0.00 -1.26 -4.92 121.76 121.61 2joe s ALA 46 Ca 0.00 0.70 -0.23 0.00 0.00 0.00 0.00 51.96 52.43 2joe s ALA 46 Cb 0.00 -3.63 -0.19 0.00 0.00 0.00 0.00 23.12 19.30 2joe s ALA 46 CO 0.00 -1.12 1.25 1.15 0.00 0.00 0.00 175.76 177.04 2joe h THR 47 N 5.31 1.41 -1.73 0.00 2.02 -1.92 -3.45 112.91 114.54 2joe h THR 47 Ca -0.33 -1.37 -0.62 0.00 0.77 0.00 0.00 66.41 64.85 2joe h THR 47 Cb 1.15 2.18 -0.13 0.00 -1.74 0.00 0.00 68.15 69.61 2joe h THR 47 CO 0.94 0.38 -0.61 -0.89 0.37 0.00 0.00 175.52 175.71 2joe s THR 48 N -4.03 2.12 0.43 3.16 2.01 -1.26 -5.00 115.64 113.06 2joe s THR 48 Ca -0.15 -2.01 0.25 0.00 0.31 0.00 0.00 61.69 60.09 2joe s THR 48 Cb 0.03 -2.91 0.28 0.00 0.01 0.00 0.00 72.50 69.91 2joe s THR 48 CO 0.72 -0.06 2.07 0.07 -0.69 0.00 0.00 174.62 176.73 2joe h LYS 49 N 1.79 0.00 -0.14 4.92 2.10 -1.90 -1.46 116.57 121.89 2joe h LYS 49 Ca -0.43 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.21 2joe h LYS 49 Cb 1.24 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 2joe h LYS 49 CO 0.77 0.13 0.07 1.49 -2.00 0.00 0.00 179.45 179.90 2joe h GLU 50 N 0.00 0.20 -0.38 0.07 4.22 -1.99 -0.86 114.58 115.84 2joe h GLU 50 Ca -0.00 -0.03 -0.04 0.00 0.08 0.00 0.00 59.36 59.37 2joe h GLU 50 Cb 0.32 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2joe h GLU 50 CO 0.02 0.26 0.08 -0.44 -2.18 0.00 0.00 179.01 176.75 2joe h ASP 51 N 0.10 0.51 0.37 1.04 3.32 -1.73 0.15 116.42 120.18 2joe h ASP 51 Ca 0.05 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2joe h ASP 51 Cb 0.12 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.54 2joe h ASP 51 CO -0.01 0.52 -0.18 0.00 -1.72 0.00 0.00 179.24 177.86 2joe h ALA 52 N 1.55 -0.49 -0.90 3.45 0.00 -1.02 -2.13 119.26 119.72 2joe h ALA 52 Ca 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2joe h ALA 52 Cb 0.22 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2joe h ALA 52 CO -0.00 -0.69 0.51 0.00 0.00 0.00 0.00 179.25 179.07 2joe h ALA 53 N -0.11 1.15 -0.27 0.00 0.00 -0.90 0.38 119.26 119.51 2joe h ALA 53 Ca -0.05 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.82 2joe h ALA 53 Cb 0.48 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2joe h ALA 53 CO 0.08 0.64 0.22 -0.22 0.00 0.00 0.00 179.25 179.97 2joe h LYS 54 N 1.25 0.00 0.01 0.00 3.64 -0.60 -0.11 116.57 120.76 2joe h LYS 54 Ca 0.32 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 59.31 2joe h LYS 54 Cb 0.00 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.76 2joe h LYS 54 CO -0.05 0.00 -2.42 2.41 -2.27 0.00 0.00 179.45 177.11 2joe n THR 55 N -4.17 1.50 0.00 1.00 -1.04 -0.60 -4.67 114.28 106.30 2joe n THR 55 Ca 0.03 -0.62 -0.09 0.00 -2.04 0.00 0.00 64.05 61.33 2joe n THR 55 Cb 0.37 -1.29 -0.14 0.00 -1.82 0.00 0.00 70.33 67.46 2joe n THR 55 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2joe h LEU 56 N 0.00 0.04 -0.06 -4.42 3.38 -0.02 -3.36 115.31 110.88 2joe h LEU 56 Ca -0.56 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.34 2joe h LEU 56 Cb 1.96 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 2joe h LEU 56 CO -0.06 1.07 -0.02 -0.33 0.09 0.00 0.00 178.44 179.20 2joe h GLU 57 N 0.01 0.00 0.00 1.13 5.08 -1.22 0.17 114.58 119.75 2joe h GLU 57 Ca -0.23 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2joe h GLU 57 Cb 1.96 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.21 2joe h GLU 57 CO 0.10 0.00 0.00 -0.35 -1.00 0.00 0.00 179.01 177.76 2joe n PRO 58 N -5.12 0.12 -0.03 2.33 -0.04 -1.26 -2.49 135.00 128.51 2joe n PRO 58 Ca -0.06 0.47 -0.21 0.00 -0.04 0.00 0.00 63.50 63.66 2joe n PRO 58 Cb 0.06 -1.79 -0.13 0.00 -0.04 0.00 0.00 33.50 31.60 2joe n PRO 58 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2joe n LEU 59 N -2.03 2.58 0.26 1.53 0.00 -0.45 -4.10 117.00 114.79 2joe n LEU 59 Ca 0.01 0.19 0.14 0.00 0.00 0.00 0.00 56.01 56.35 2joe n LEU 59 Cb 0.13 -1.06 0.69 0.00 0.00 0.00 0.00 43.42 43.18 2joe n LEU 59 CO 0.13 0.79 0.95 0.77 0.00 0.00 0.00 177.39 180.04 2joe h SER 60 N -0.10 0.00 0.12 1.96 4.64 -0.50 -1.81 113.55 117.87 2joe h SER 60 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2joe h SER 60 Cb 1.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.01 2joe h SER 60 CO 0.01 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.08 2joe n ALA 61 N -2.19 1.46 -0.25 5.18 0.00 -1.04 -2.07 120.51 121.60 2joe n ALA 61 Ca -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 53.44 53.40 2joe n ALA 61 Cb 0.29 -1.10 0.21 0.00 0.00 0.00 0.00 19.45 18.86 2joe n ALA 61 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2joe h LYS 62 N 0.00 1.07 0.00 0.00 3.64 -1.55 -2.65 116.57 117.08 2joe h LYS 62 Ca 0.00 -0.07 -0.24 0.00 -1.27 0.00 0.00 60.65 59.07 2joe h LYS 62 Cb 0.06 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.60 2joe h LYS 62 CO 0.00 0.71 -1.31 1.88 -2.27 0.00 0.00 179.45 178.46 2joe h TYR 63 N 1.10 0.00 0.00 1.91 0.05 -1.67 -3.48 116.97 114.89 2joe h TYR 63 Ca 0.30 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.08 2joe h TYR 63 Cb -0.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.62 2joe h TYR 63 CO 0.00 0.99 0.00 1.17 -1.05 0.00 0.00 178.16 179.27 2joe n LYS 64 N -3.21 0.00 -1.70 4.88 4.81 -1.00 -2.49 118.16 119.45 2joe n LYS 64 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.35 2joe n LYS 64 Cb 0.99 0.00 0.03 0.00 0.02 0.00 0.00 35.03 36.07 2joe n LYS 64 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2joe n ASN 65 N 5.92 -0.54 -0.27 3.14 0.23 -1.26 -4.83 115.26 117.66 2joe n ASN 65 Ca 0.00 -1.33 0.08 0.00 -0.53 0.00 0.00 54.58 52.79 2joe n ASN 65 Cb 0.00 0.24 0.21 0.00 -2.08 0.00 0.00 39.78 38.15 2joe n ASN 65 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2joe h ILE 66 N 1.64 0.41 0.00 1.53 2.04 -1.77 -3.45 117.51 117.90 2joe h ILE 66 Ca -0.18 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2joe h ILE 66 Cb 1.06 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2joe h ILE 66 CO -0.08 0.04 0.00 0.00 0.00 0.00 0.00 178.15 178.11 2joe n ALA 67 N -2.75 0.00 -0.03 1.87 0.00 -1.26 -4.87 120.51 113.47 2joe n ALA 67 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2joe n ALA 67 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2joe n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2joe n GLY 68 N 0.00 2.16 3.38 0.00 0.00 -1.26 -4.75 105.19 104.72 2joe n GLY 68 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2joe n GLY 68 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2joe s VAL 69 N 0.16 4.76 -0.27 1.61 -7.23 -1.24 -0.78 120.40 117.42 2joe s VAL 69 Ca 0.00 -0.92 -0.12 0.00 -1.81 0.00 0.00 61.98 59.13 2joe s VAL 69 Cb 0.00 -4.51 -0.05 0.00 0.56 0.00 0.00 36.38 32.38 2joe s VAL 69 CO 0.00 -1.17 0.24 -1.61 -0.31 0.00 0.00 175.10 172.26 2joe s GLU 70 N 2.85 4.00 -0.63 4.82 2.02 0.61 -4.53 118.70 127.84 2joe s GLU 70 Ca 0.13 -0.19 -0.15 0.00 0.02 0.00 0.00 54.97 54.78 2joe s GLU 70 Cb -0.23 -3.63 0.16 0.00 0.10 0.00 0.00 34.13 30.52 2joe s GLU 70 CO 0.07 -0.16 0.58 -1.83 0.02 0.00 0.00 175.26 173.94 2joe s GLU 71 N 1.70 3.16 -0.52 1.61 4.04 -1.26 -1.04 118.70 126.38 2joe s GLU 71 Ca 0.10 -1.97 -0.16 0.00 0.04 0.00 0.00 54.97 52.98 2joe s GLU 71 Cb -0.15 -4.31 0.11 0.00 0.02 0.00 0.00 34.13 29.79 2joe s GLU 71 CO 0.09 -1.31 0.47 0.15 -1.84 0.00 0.00 175.26 172.83 2joe s LYS 72 N 1.09 2.99 -0.53 -4.83 1.02 -0.53 -4.96 119.74 114.00 2joe s LYS 72 Ca 0.08 -1.60 -0.26 0.00 0.02 0.00 0.00 55.97 54.22 2joe s LYS 72 Cb -0.23 -4.25 0.03 0.00 -0.52 0.00 0.00 37.83 32.86 2joe s LYS 72 CO -0.01 -1.24 1.00 -0.51 -0.92 0.00 0.00 175.35 173.66 2joe s LEU 73 N 1.63 3.92 -0.27 3.17 1.43 -1.26 -0.96 118.68 126.33 2joe s LEU 73 Ca 0.03 -0.08 -0.05 0.00 -1.03 0.00 0.00 54.13 53.00 2joe s LEU 73 Cb -0.28 -3.04 0.01 0.00 0.03 0.00 0.00 46.19 42.91 2joe s LEU 73 CO 0.04 -1.23 0.03 0.42 0.23 0.00 0.00 176.35 175.84 2joe s THR 74 N 4.13 3.62 -0.29 5.49 -4.23 -0.48 -4.94 115.64 118.95 2joe s THR 74 Ca 0.36 -0.76 -0.09 0.00 -1.18 0.00 0.00 61.69 60.02 2joe s THR 74 Cb -0.10 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 70.88 2joe s THR 74 CO 0.23 0.15 0.13 -0.31 -0.54 0.00 0.00 174.62 174.27 2joe s TYR 75 N 1.45 3.15 -0.12 3.99 1.51 -1.26 -0.74 117.35 125.33 2joe s TYR 75 Ca 0.02 -0.47 0.01 0.00 -1.01 0.00 0.00 57.07 55.62 2joe s TYR 75 Cb -0.17 -2.31 -0.08 0.00 -0.11 0.00 0.00 41.96 39.29 2joe s TYR 75 CO 0.00 -0.40 -0.11 2.41 -1.11 0.00 0.00 175.55 176.34 2joe n THR 76 N 4.97 0.71 0.00 -0.71 -1.04 -1.16 -5.06 114.28 111.98 2joe n THR 76 Ca -0.15 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 2joe n THR 76 Cb 0.50 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 68.04 2joe n THR 76 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2joe n ASP 77 N -2.89 0.00 -0.67 8.00 2.03 -1.26 -4.97 116.55 116.78 2joe n ASP 77 Ca -0.22 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.15 2joe n ASP 77 Cb 0.73 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 41.31 2joe n ASP 77 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2joe n THR 78 N -0.26 1.50 -3.88 5.18 -1.04 -1.26 -4.83 114.28 109.69 2joe n THR 78 Ca 0.00 -1.36 -0.11 0.00 -2.04 0.00 0.00 64.05 60.54 2joe n THR 78 Cb 0.00 0.20 -0.11 0.00 -1.82 0.00 0.00 70.33 68.60 2joe n THR 78 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 2joe s TYR 79 N -1.73 0.04 -0.13 -1.42 1.13 -1.26 -0.51 117.35 113.47 2joe s TYR 79 Ca 0.29 -0.11 0.02 0.00 -1.41 0.00 0.00 57.07 55.86 2joe s TYR 79 Cb 0.20 -0.05 0.01 0.00 -1.10 0.00 0.00 41.96 41.02 2joe s TYR 79 CO 0.12 -0.23 -0.19 0.00 -2.51 0.00 0.00 175.55 172.74 2joe s ALA 80 N -1.11 2.03 -0.35 9.51 0.00 0.71 -2.98 121.76 129.58 2joe s ALA 80 Ca -0.12 -0.96 -0.15 0.00 0.00 0.00 0.00 51.96 50.74 2joe s ALA 80 Cb -0.07 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 2joe s ALA 80 CO 0.01 -0.06 0.32 -0.65 0.00 0.00 0.00 175.76 175.38 2joe s GLN 81 N 0.90 3.48 -1.14 0.00 -0.21 0.08 -0.32 119.66 122.46 2joe s GLN 81 Ca -0.06 -0.55 -0.18 0.00 0.02 0.00 0.00 55.36 54.59 2joe s GLN 81 Cb -0.15 -3.83 0.11 0.00 1.00 0.00 0.00 33.01 30.15 2joe s GLN 81 CO -0.02 -0.53 1.45 -2.00 -2.12 0.00 0.00 175.29 172.07 2joe s GLU 82 N 1.91 3.87 -0.66 2.91 2.12 -0.14 -1.38 118.70 127.34 2joe s GLU 82 Ca 0.10 -1.98 -0.26 0.00 0.36 0.00 0.00 54.97 53.18 2joe s GLU 82 Cb -0.17 -5.21 0.04 0.00 0.26 0.00 0.00 34.13 29.05 2joe s GLU 82 CO 0.11 -1.98 1.15 1.21 -0.54 0.00 0.00 175.26 175.21 2joe s ASN 83 N 3.77 6.26 -0.32 -1.70 3.04 -0.14 -1.00 114.94 124.85 2joe s ASN 83 Ca 0.44 -0.40 -0.14 0.00 0.04 0.00 0.00 52.86 52.80 2joe s ASN 83 Cb -0.01 -2.51 -0.02 0.00 -1.54 0.00 0.00 41.25 37.17 2joe s ASN 83 CO -0.02 -1.58 0.32 -0.69 -3.04 0.00 0.00 177.10 172.09 2joe s VAL 84 N 4.95 5.21 -0.24 -5.21 1.01 0.10 -1.45 120.40 124.78 2joe s VAL 84 Ca 0.34 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 2joe s VAL 84 Cb -0.10 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 2joe s VAL 84 CO 0.17 0.00 0.03 -0.89 0.00 0.00 0.00 175.10 174.41 2joe s THR 85 N 1.93 3.98 -0.33 3.92 2.01 -0.21 0.24 115.64 127.19 2joe s THR 85 Ca 0.10 -0.28 -0.03 0.00 0.31 0.00 0.00 61.69 61.79 2joe s THR 85 Cb -0.17 -2.85 0.06 0.00 0.01 0.00 0.00 72.50 69.56 2joe s THR 85 CO 0.11 0.37 0.06 -0.63 -0.69 0.00 0.00 174.62 173.84 2joe s ILE 86 N 1.56 3.23 -0.49 1.82 1.01 -0.08 -0.28 121.20 127.97 2joe s ILE 86 Ca 0.06 -1.43 -0.26 0.00 0.00 0.00 0.00 60.65 59.02 2joe s ILE 86 Cb -0.15 -2.91 0.03 0.00 0.01 0.00 0.00 42.46 39.45 2joe s ILE 86 CO 0.01 -0.22 0.96 -0.62 0.00 0.00 0.00 174.94 175.08 2joe s ASP 87 N 1.38 6.48 -0.03 3.58 -1.08 0.04 -1.02 116.67 126.02 2joe s ASP 87 Ca -0.02 0.06 0.04 0.00 -0.52 0.00 0.00 52.55 52.11 2joe s ASP 87 Cb -0.20 -2.46 0.17 0.00 -1.46 0.00 0.00 42.92 38.97 2joe s ASP 87 CO -0.01 -1.13 0.92 0.23 0.52 0.00 0.00 175.17 175.70 2joe n MET 88 N 7.37 1.70 -0.03 4.34 2.81 0.18 -3.10 117.12 130.38 2joe n MET 88 Ca 0.06 -0.68 0.07 0.00 -1.81 0.00 0.00 57.70 55.34 2joe n MET 88 Cb 0.48 -1.46 0.08 0.00 -0.71 0.00 0.00 33.22 31.61 2joe n MET 88 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2joe n GLU 89 N 0.09 1.16 0.00 0.03 -0.00 -1.26 -4.43 120.64 116.22 2joe n GLU 89 Ca 0.06 -1.43 0.00 0.00 -0.00 0.00 0.00 57.16 55.79 2joe n GLU 89 Cb 0.34 -1.27 0.00 0.00 -0.00 0.00 0.00 31.44 30.51 2joe n GLU 89 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2joe n LYS 90 N 0.76 0.26 -1.61 3.44 4.81 -1.18 -5.08 118.16 119.57 2joe n LYS 90 Ca 0.09 -0.08 -0.35 0.00 -0.87 0.00 0.00 58.31 57.10 2joe n LYS 90 Cb 0.36 -0.46 0.07 0.00 0.02 0.00 0.00 35.03 35.02 2joe n LYS 90 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2joe s VAL 91 N -0.06 2.42 -0.39 3.15 -7.23 -1.22 -4.63 120.40 112.44 2joe s VAL 91 Ca 0.00 0.22 0.02 0.00 -1.81 0.00 0.00 61.98 60.41 2joe s VAL 91 Cb 0.00 -2.87 0.11 0.00 0.56 0.00 0.00 36.38 34.18 2joe s VAL 91 CO 0.00 -0.09 0.14 -0.62 -0.31 0.00 0.00 175.10 174.21 2joe s ASP 92 N -1.92 4.87 0.61 4.85 2.15 -1.26 -4.97 116.67 121.00 2joe s ASP 92 Ca 0.75 -2.26 0.38 0.00 0.43 0.00 0.00 52.55 51.86 2joe s ASP 92 Cb -0.30 -1.70 1.93 0.00 -0.30 0.00 0.00 42.92 42.56 2joe s ASP 92 CO 0.42 -0.41 2.20 -0.26 -0.17 0.00 0.00 175.17 176.95 2joe h PHE 93 N 7.57 0.00 0.18 -5.34 0.04 -1.94 -1.72 116.94 115.72 2joe h PHE 93 Ca -0.07 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 2joe h PHE 93 Cb 1.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.16 2joe h PHE 93 CO 0.50 0.02 -0.09 -0.22 -0.60 0.00 0.00 178.31 177.92 2joe h LYS 94 N 0.00 -0.23 -0.25 1.51 1.63 -1.95 -2.35 116.57 114.93 2joe h LYS 94 Ca -0.00 0.02 -0.18 0.00 -0.85 0.00 0.00 60.65 59.64 2joe h LYS 94 Cb 0.22 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.90 2joe h LYS 94 CO 0.00 0.07 -0.56 0.00 -3.45 0.00 0.00 179.45 175.51 2joe h ALA 95 N 0.20 0.53 0.00 5.00 0.00 -1.93 -3.08 119.26 119.99 2joe h ALA 95 Ca -0.02 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 2joe h ALA 95 Cb 0.41 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2joe h ALA 95 CO 0.04 0.69 -0.04 -0.07 0.00 0.00 0.00 179.25 179.87 2joe h LEU 96 N 0.59 0.00 -0.53 0.00 3.38 -1.34 -2.14 115.31 115.27 2joe h LEU 96 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2joe h LEU 96 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2joe h LEU 96 CO 0.12 0.04 0.00 1.67 0.09 0.00 0.00 178.44 180.35 2joe n GLN 97 N -3.36 0.12 -0.12 1.13 -0.06 -0.89 -0.70 117.38 113.50 2joe n GLN 97 Ca -0.02 0.40 0.09 0.00 -2.00 0.00 0.00 57.00 55.47 2joe n GLN 97 Cb 0.16 -1.75 0.14 0.00 -4.06 0.00 0.00 30.24 24.73 2joe n GLN 97 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2joe n GLY 98 N -0.22 4.71 0.41 1.69 0.00 -0.81 -4.76 105.19 106.21 2joe n GLY 98 Ca 0.02 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.94 2joe n GLY 98 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2joe n ILE 99 N -1.36 0.00 0.16 -0.61 5.41 -0.33 -4.88 119.36 117.75 2joe n ILE 99 Ca 0.15 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.76 2joe n ILE 99 Cb 0.65 -0.46 -0.08 0.00 -0.71 0.00 0.00 39.64 39.04 2joe n ILE 99 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 2joe h SER 100 N 0.00 -0.34 -0.19 4.38 4.64 -1.21 -3.47 113.55 117.35 2joe h SER 100 Ca 0.00 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 2joe h SER 100 Cb 0.51 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 2joe h SER 100 CO 0.00 -0.07 -0.04 0.61 -0.87 0.00 0.00 176.83 176.46 2joe n GLY 101 N -0.69 0.38 3.56 -0.77 0.00 -1.26 -4.95 105.19 101.45 2joe n GLY 101 Ca -0.10 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 2joe n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2joe s ILE 102 N -2.08 3.47 -0.36 -0.61 1.01 -1.26 -4.79 121.20 116.58 2joe s ILE 102 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.52 2joe s ILE 102 Cb 0.00 -4.13 0.55 0.00 0.01 0.00 0.00 42.46 38.89 2joe s ILE 102 CO 0.00 -1.07 1.69 -3.20 0.00 0.00 0.00 174.94 172.36 2joe n ASN 103 N 12.87 3.79 -0.04 3.58 2.85 -1.26 -3.70 115.26 133.34 2joe n ASN 103 Ca 0.31 -3.19 -0.01 0.00 -0.11 0.00 0.00 54.58 51.57 2joe n ASN 103 Cb 0.49 -0.75 -0.00 0.00 1.24 0.00 0.00 39.78 40.76 2joe n ASN 103 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 2joe h VAL 104 N 1.18 0.00 -2.80 3.44 2.07 -2.00 -3.44 116.25 114.70 2joe h VAL 104 Ca 0.43 -0.66 -0.56 0.00 0.82 0.00 0.00 66.70 66.73 2joe h VAL 104 Cb 2.36 0.00 -0.40 0.00 -1.52 0.00 0.00 31.29 31.73 2joe h VAL 104 CO 0.80 0.00 -0.79 -0.94 0.02 0.00 0.00 177.57 176.66 2joe s SER 105 N -4.83 3.45 0.35 0.57 1.04 -1.26 -5.01 113.70 108.01 2joe s SER 105 Ca -0.05 -1.69 0.04 0.00 0.48 0.00 0.00 55.95 54.73 2joe s SER 105 Cb 0.01 -0.49 0.66 0.00 0.10 0.00 0.00 66.02 66.30 2joe s SER 105 CO 0.07 -0.39 1.97 0.00 0.98 0.00 0.00 173.24 175.87 2joe h ALA 106 N 7.84 1.50 0.00 5.32 0.00 -1.87 -0.31 119.26 131.75 2joe h ALA 106 Ca -0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2joe h ALA 106 Cb 0.99 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2joe h ALA 106 CO 0.39 0.40 -0.15 1.05 0.00 0.00 0.00 179.25 180.95 2joe h GLU 107 N 0.68 0.00 -0.12 0.00 4.11 -1.95 -2.97 114.58 114.34 2joe h GLU 107 Ca 0.17 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.42 2joe h GLU 107 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2joe h GLU 107 CO -0.02 0.15 -0.67 -0.44 0.07 0.00 0.00 179.01 178.09 2joe h ASP 108 N 0.00 0.56 1.12 3.06 3.32 -1.43 0.43 116.42 123.48 2joe h ASP 108 Ca -0.00 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.71 2joe h ASP 108 Cb 0.56 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2joe h ASP 108 CO 0.02 1.07 0.00 0.00 -1.72 0.00 0.00 179.24 178.61 2joe h ALA 109 N 0.93 1.00 0.20 3.45 0.00 -1.45 0.25 119.26 123.64 2joe h ALA 109 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.55 2joe h ALA 109 Cb 1.23 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.04 2joe h ALA 109 CO 0.12 0.00 -1.67 0.87 0.00 0.00 0.00 179.25 178.57 2joe h LYS 110 N 0.00 0.42 -0.31 0.00 1.57 -1.30 -3.35 116.57 113.60 2joe h LYS 110 Ca 0.00 -0.72 -0.17 0.00 -1.87 0.00 0.00 60.65 57.89 2joe h LYS 110 Cb 0.56 0.27 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 2joe h LYS 110 CO 0.00 1.34 -0.48 0.87 -0.57 0.00 0.00 179.45 180.61 2joe h LYS 111 N 0.08 0.85 0.00 3.15 1.57 -0.75 -3.49 116.57 117.99 2joe h LYS 111 Ca -0.32 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 57.96 2joe h LYS 111 Cb 2.09 0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.44 2joe h LYS 111 CO 0.19 1.14 0.00 0.41 -0.57 0.00 0.00 179.45 180.62 2joe n GLY 112 N 0.25 4.31 3.58 3.86 0.00 0.06 -5.07 105.19 112.18 2joe n GLY 112 Ca -0.03 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 2joe n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2joe s ILE 113 N -0.55 4.63 0.20 -0.61 -1.09 -1.26 -4.76 121.20 117.77 2joe s ILE 113 Ca 0.00 0.85 0.00 0.00 -2.23 0.00 0.00 60.65 59.27 2joe s ILE 113 Cb 0.00 -4.30 -0.00 0.00 -1.58 0.00 0.00 42.46 36.58 2joe s ILE 113 CO 0.00 -0.58 0.01 0.35 -1.23 0.00 0.00 174.94 173.49 2joe n THR 114 N 6.01 0.00 -0.05 2.92 -2.24 -1.26 -4.24 114.28 115.42 2joe n THR 114 Ca 0.04 -0.97 -0.12 0.00 -2.27 0.00 0.00 64.05 60.73 2joe n THR 114 Cb 0.48 0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 68.88 2joe n THR 114 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 2joe h MET 115 N 0.00 0.27 -0.56 -0.78 4.05 -1.81 -2.49 114.93 113.61 2joe h MET 115 Ca -0.16 -0.09 0.05 0.00 -0.28 0.00 0.00 59.70 59.22 2joe h MET 115 Cb 0.51 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 31.24 2joe h MET 115 CO 0.27 0.49 0.30 0.00 0.23 0.00 0.00 176.91 178.20 2joe h ALA 116 N 0.77 0.72 0.05 0.39 0.00 -1.94 -0.38 119.26 118.87 2joe h ALA 116 Ca 0.04 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2joe h ALA 116 Cb 0.37 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2joe h ALA 116 CO 0.01 -0.04 -0.28 1.96 0.00 0.00 0.00 179.25 180.90 2joe h GLN 117 N 0.57 -0.37 -0.99 0.00 7.50 -1.90 -1.29 115.11 118.62 2joe h GLN 117 Ca 0.24 0.03 0.12 0.00 0.50 0.00 0.00 58.65 59.54 2joe h GLN 117 Cb 0.14 0.09 -0.08 0.00 0.05 0.00 0.00 27.48 27.67 2joe h GLN 117 CO -0.16 -0.25 0.63 0.52 -1.50 0.00 0.00 178.83 178.07 2joe h MET 118 N -0.39 0.96 0.89 1.46 2.86 -1.06 0.41 114.93 120.06 2joe h MET 118 Ca -0.00 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 2joe h MET 118 Cb 0.40 -0.22 0.01 0.00 0.06 0.00 0.00 31.60 31.85 2joe h MET 118 CO -0.16 0.63 -0.43 0.93 1.06 0.00 0.00 176.91 178.95 2joe h GLU 119 N 0.99 -1.16 -0.77 1.72 4.39 -0.87 0.34 114.58 119.21 2joe h GLU 119 Ca 0.49 0.08 -0.05 0.00 0.34 0.00 0.00 59.36 60.22 2joe h GLU 119 Cb 0.48 0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 2joe h GLU 119 CO -0.25 -0.77 0.29 -0.07 -1.16 0.00 0.00 179.01 177.05 2joe h LEU 120 N -1.20 1.09 -0.09 1.33 3.38 -0.76 -1.86 115.31 117.20 2joe h LEU 120 Ca -0.12 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.51 2joe h LEU 120 Cb 0.92 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.40 2joe h LEU 120 CO 0.20 0.98 -0.54 0.58 0.09 0.00 0.00 178.44 179.75 2joe h VAL 121 N 1.13 1.37 0.00 1.22 2.07 -0.17 -2.00 116.25 119.87 2joe h VAL 121 Ca 0.26 -1.88 -0.13 0.00 0.82 0.00 0.00 66.70 65.77 2joe h VAL 121 Cb 0.24 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 2joe h VAL 121 CO -0.02 0.56 -0.63 0.24 0.02 0.00 0.00 177.57 177.75 2joe h MET 122 N 0.10 0.00 -0.06 1.57 2.86 -0.31 -2.38 114.93 116.72 2joe h MET 122 Ca -0.04 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.48 2joe h MET 122 Cb 1.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 2joe h MET 122 CO 0.11 0.63 -0.50 -0.22 1.06 0.00 0.00 176.91 177.99 2joe h LYS 123 N 0.00 0.15 -0.36 1.72 3.64 -1.34 -1.68 116.57 118.70 2joe h LYS 123 Ca -0.01 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.19 2joe h LYS 123 Cb 1.25 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 2joe h LYS 123 CO 0.08 0.62 -0.19 0.00 -2.27 0.00 0.00 179.45 177.70 2joe h ALA 124 N 1.37 1.01 0.00 5.00 0.00 -0.87 -2.57 119.26 123.19 2joe h ALA 124 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 2joe h ALA 124 Cb 0.93 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2joe h ALA 124 CO 0.07 0.59 -0.43 0.00 0.00 0.00 0.00 179.25 179.49 2joe h ALA 125 N 1.20 0.81 -1.18 0.00 0.00 -1.28 -3.48 119.26 115.33 2joe h ALA 125 Ca 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2joe h ALA 125 Cb 0.65 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2joe h ALA 125 CO 0.05 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.24 2joe n GLY 126 N 0.79 0.69 4.01 0.00 0.00 -0.67 -5.09 105.19 104.93 2joe n GLY 126 Ca 0.01 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 2joe n GLY 126 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2joe s PHE 127 N -2.65 1.84 -0.04 1.61 0.08 -0.95 -5.05 117.98 112.82 2joe s PHE 127 Ca 0.00 -0.46 0.05 0.00 0.12 0.00 0.00 56.93 56.64 2joe s PHE 127 Cb 0.00 -2.54 -0.01 0.00 -0.57 0.00 0.00 43.02 39.90 2joe s PHE 127 CO 0.00 -1.18 -0.19 -1.59 -0.10 0.00 0.00 175.22 172.15 2joe s LYS 128 N -4.78 1.83 0.47 0.44 -2.85 -1.26 -4.85 119.74 108.74 2joe s LYS 128 Ca 0.62 -0.68 -0.22 0.00 -1.00 0.00 0.00 55.97 54.68 2joe s LYS 128 Cb -0.07 -1.63 -0.07 0.00 -2.06 0.00 0.00 37.83 34.00 2joe s LYS 128 CO 0.40 0.32 1.15 -1.21 0.10 0.00 0.00 175.35 176.10 2joe s GLU 129 N -0.15 3.74 0.00 1.78 2.02 -1.26 -2.72 118.70 122.10 2joe s GLU 129 Ca -0.00 1.72 0.00 0.00 0.02 0.00 0.00 54.97 56.70 2joe s GLU 129 Cb -0.11 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.77 2joe s GLU 129 CO 0.01 -0.56 0.00 0.28 0.02 0.00 0.00 175.26 175.02 2joe n VAL 130 N -0.58 0.00 -4.09 2.63 0.31 -0.02 -4.81 118.33 111.77 2joe n VAL 130 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2joe n VAL 130 Cb 0.49 -0.62 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 2joe n VAL 130 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2joe n LYS 131 N -2.11 0.00 -0.69 5.55 5.02 0.24 -4.01 118.16 122.17 2joe n LYS 131 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 2joe n LYS 131 Cb 0.43 0.00 0.22 0.00 -0.02 0.00 0.00 35.03 35.66 2joe n LYS 131 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2joe n LEU 132 N 0.00 4.09 -4.36 -0.35 4.32 -1.26 -4.63 117.00 114.81 2joe n LEU 132 Ca 0.00 -3.51 -0.30 0.00 -0.02 0.00 0.00 56.01 52.18 2joe n LEU 132 Cb 0.00 -0.61 -0.14 0.00 -1.62 0.00 0.00 43.42 41.05 2joe n LEU 132 CO 0.00 1.05 -0.57 -0.70 -1.22 0.00 0.00 177.39 175.95 2joe s GLU 133 N -3.11 1.68 0.00 3.23 2.56 -1.26 -5.01 118.70 116.79 2joe s GLU 133 Ca 0.44 -1.18 0.00 0.00 0.00 0.00 0.00 54.97 54.22 2joe s GLU 133 Cb 0.39 -1.95 0.00 0.00 2.00 0.00 0.00 34.13 34.56 2joe s GLU 133 CO 0.03 0.49 0.07 1.58 -0.56 0.00 0.00 175.26 176.88 2joe n HIS 134 N 1.51 0.00 -1.83 5.30 -0.00 -1.26 -5.03 115.22 113.92 2joe n HIS 134 Ca -0.17 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.70 2joe n HIS 134 Cb 0.52 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 30.41 2joe n HIS 134 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2joe s HIS 135 N -0.01 3.52 0.31 1.57 3.76 -1.26 -5.09 115.29 118.09 2joe s HIS 135 Ca 0.00 1.28 0.08 0.00 -0.15 0.00 0.00 55.06 56.27 2joe s HIS 135 Cb 0.00 -2.79 -0.03 0.00 1.11 0.00 0.00 32.58 30.87 2joe s HIS 135 CO 0.00 -0.83 0.21 -1.01 -0.85 0.00 0.00 174.74 172.26 2joe s HIS 136 N -3.18 2.89 -0.39 1.40 3.76 -1.26 -5.08 115.29 113.43 2joe s HIS 136 Ca 0.56 -0.27 -0.23 0.00 -0.15 0.00 0.00 55.06 54.97 2joe s HIS 136 Cb -0.11 -1.61 0.02 0.00 1.11 0.00 0.00 32.58 31.98 2joe s HIS 136 CO 0.54 0.34 0.80 -1.01 -0.85 0.00 0.00 174.74 174.55 2joe s HIS 137 N -2.29 3.07 -0.41 1.40 0.09 -1.26 -4.93 115.29 110.95 2joe s HIS 137 Ca 0.37 0.44 0.07 0.00 -0.00 0.00 0.00 55.06 55.94 2joe s HIS 137 Cb -0.06 -3.52 0.22 0.00 -0.00 0.00 0.00 32.58 29.23 2joe s HIS 137 CO 0.25 -0.83 0.47 1.58 -0.00 0.00 0.00 174.74 176.21 2joe n HIS 138 N 6.56 -0.34 -1.07 1.40 -0.00 -1.26 -5.35 115.22 115.15 2joe n HIS 138 Ca 0.03 -3.51 0.00 0.00 -0.00 0.00 0.00 57.72 54.24 2joe n HIS 138 Cb 0.48 -0.17 0.00 0.00 -0.00 0.00 0.00 29.99 30.30 2joe n HIS 138 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06