#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2joe n GLY 2 N 0.00 3.48 0.24 3.03 0.00 -1.26 -5.02 105.19 105.66 2joe n GLY 2 Ca 0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 2joe n GLY 2 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2joe h ASP 3 N 0.00 0.90 -4.00 1.61 3.58 -2.10 -3.44 116.42 112.97 2joe h ASP 3 Ca 0.00 -0.48 -0.69 0.00 0.42 0.00 0.00 57.03 56.28 2joe h ASP 3 Cb 0.00 -0.25 -0.23 0.00 1.72 0.00 0.00 39.33 40.57 2joe h ASP 3 CO 0.00 1.20 -0.85 -0.54 -2.88 0.00 0.00 179.24 176.17 2joe s LYS 4 N -4.32 1.74 0.64 0.28 -0.14 -1.26 -5.14 119.74 111.53 2joe s LYS 4 Ca -0.12 -1.17 0.06 0.00 -1.36 0.00 0.00 55.97 53.39 2joe s LYS 4 Cb 0.10 -2.03 0.11 0.00 -1.68 0.00 0.00 37.83 34.33 2joe s LYS 4 CO 0.86 0.49 0.88 -1.21 -0.76 0.00 0.00 175.35 175.61 2joe s GLU 5 N -1.70 2.03 -0.18 1.68 2.02 -1.26 -5.09 118.70 116.20 2joe s GLU 5 Ca 0.14 -1.47 -0.08 0.00 0.02 0.00 0.00 54.97 53.58 2joe s GLU 5 Cb -0.10 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 2joe s GLU 5 CO 0.05 -1.11 0.08 -1.21 0.02 0.00 0.00 175.26 173.09 2joe s GLU 6 N -4.86 3.96 -0.20 1.61 8.01 0.63 -4.95 118.70 122.91 2joe s GLU 6 Ca 0.64 -0.31 0.01 0.00 0.01 0.00 0.00 54.97 55.32 2joe s GLU 6 Cb -0.05 -3.24 0.03 0.00 -4.31 0.00 0.00 34.13 26.56 2joe s GLU 6 CO 0.41 0.32 -0.15 -1.12 0.01 0.00 0.00 175.26 174.73 2joe s SER 7 N 0.25 3.39 -0.38 -0.19 0.01 -1.25 0.07 113.70 115.60 2joe s SER 7 Ca 0.05 -0.83 -0.02 0.00 1.31 0.00 0.00 55.95 56.47 2joe s SER 7 Cb -0.12 -1.40 0.10 0.00 0.21 0.00 0.00 66.02 64.81 2joe s SER 7 CO -0.00 -0.07 0.15 -0.54 0.41 0.00 0.00 173.24 173.18 2joe s LYS 8 N 1.30 1.98 -0.37 12.44 -0.14 0.84 -4.76 119.74 131.03 2joe s LYS 8 Ca 0.01 -1.75 -0.14 0.00 -1.36 0.00 0.00 55.97 52.73 2joe s LYS 8 Cb -0.15 -3.46 -0.00 0.00 -1.68 0.00 0.00 37.83 32.53 2joe s LYS 8 CO -0.10 -0.98 0.29 0.21 -0.76 0.00 0.00 175.35 174.01 2joe s LYS 9 N 1.12 3.30 0.28 1.68 2.20 -1.26 -0.07 119.74 126.99 2joe s LYS 9 Ca 0.07 -0.75 0.09 0.00 -0.36 0.00 0.00 55.97 55.02 2joe s LYS 9 Cb -0.22 -3.88 -0.04 0.00 -1.51 0.00 0.00 37.83 32.18 2joe s LYS 9 CO -0.04 -0.59 0.03 -0.59 -0.36 0.00 0.00 175.35 173.79 2joe s PHE 10 N 1.79 2.70 -0.23 4.03 -0.71 -0.76 0.30 117.98 125.09 2joe s PHE 10 Ca 0.07 -0.26 -0.10 0.00 -1.04 0.00 0.00 56.93 55.60 2joe s PHE 10 Cb -0.18 -1.29 0.09 0.00 -1.21 0.00 0.00 43.02 40.43 2joe s PHE 10 CO 0.11 0.56 0.53 0.45 -1.34 0.00 0.00 175.22 175.53 2joe s SER 11 N -3.71 -0.69 0.01 1.98 0.15 -0.93 -1.38 113.70 109.13 2joe s SER 11 Ca 0.33 1.23 0.07 0.00 0.70 0.00 0.00 55.95 58.27 2joe s SER 11 Cb -0.05 1.44 -0.02 0.00 -1.71 0.00 0.00 66.02 65.68 2joe s SER 11 CO 0.20 -0.22 -0.20 0.00 1.20 0.00 0.00 173.24 174.22 2joe s ALA 12 N 2.15 1.68 -0.60 5.45 0.00 -0.85 -4.48 121.76 125.12 2joe s ALA 12 Ca -0.07 -0.93 -0.16 0.00 0.00 0.00 0.00 51.96 50.80 2joe s ALA 12 Cb -0.09 -0.39 0.14 0.00 0.00 0.00 0.00 23.12 22.78 2joe s ALA 12 CO -0.16 0.40 0.60 1.21 0.00 0.00 0.00 175.76 177.80 2joe s ASN 13 N -0.73 6.28 0.01 0.00 3.84 -1.26 -1.80 114.94 121.29 2joe s ASN 13 Ca 0.07 -1.86 0.03 0.00 0.21 0.00 0.00 52.86 51.31 2joe s ASN 13 Cb -0.08 -2.23 -0.01 0.00 -0.55 0.00 0.00 41.25 38.38 2joe s ASN 13 CO 0.00 -0.87 -0.09 -1.48 -2.79 0.00 0.00 177.10 171.87 2joe s LEU 14 N 1.63 2.08 -1.26 3.21 0.05 -0.32 -4.73 118.68 119.33 2joe s LEU 14 Ca 0.08 -0.25 0.00 0.00 0.05 0.00 0.00 54.13 54.00 2joe s LEU 14 Cb -0.25 -0.39 0.00 0.00 -2.05 0.00 0.00 46.19 43.49 2joe s LEU 14 CO 0.02 0.04 0.00 -3.20 -0.55 0.00 0.00 176.35 172.65 2joe n ASN 15 N 2.51 -5.17 0.00 1.48 5.15 -1.26 -0.46 115.26 117.51 2joe n ASN 15 Ca -0.15 0.29 0.00 0.00 -0.60 0.00 0.00 54.58 54.12 2joe n ASN 15 Cb 0.56 -3.72 0.00 0.00 -0.53 0.00 0.00 39.78 36.10 2joe n ASN 15 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2joe n GLY 16 N -0.54 0.75 3.46 8.20 0.00 -1.26 -4.91 105.19 110.89 2joe n GLY 16 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.83 3.07 -0.67 2.61 -4.23 0.40 -4.20 115.64 109.78 2joe s THR 17 Ca 0.00 -0.71 -0.19 0.00 -1.18 0.00 0.00 61.69 59.61 2joe s THR 17 Cb 0.00 -2.22 0.11 0.00 1.34 0.00 0.00 72.50 71.74 2joe s THR 17 CO 0.00 0.58 0.81 -1.61 -0.54 0.00 0.00 174.62 173.86 2joe s GLU 18 N -0.55 3.19 -0.50 3.99 2.02 0.31 -1.18 118.70 125.98 2joe s GLU 18 Ca 0.08 -1.42 -0.20 0.00 0.02 0.00 0.00 54.97 53.45 2joe s GLU 18 Cb -0.11 -4.37 0.05 0.00 0.10 0.00 0.00 34.13 29.79 2joe s GLU 18 CO 0.01 -1.60 0.65 0.42 0.02 0.00 0.00 175.26 174.76 2joe s ILE 19 N 2.66 4.84 -0.29 -1.63 1.01 -0.74 -0.31 121.20 126.74 2joe s ILE 19 Ca 0.17 -0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 2joe s ILE 19 Cb -0.19 -4.29 0.05 0.00 0.01 0.00 0.00 42.46 38.03 2joe s ILE 19 CO 0.03 -0.78 -0.01 0.00 0.00 0.00 0.00 174.94 174.18 2joe s ALA 20 N 2.75 2.80 -0.20 9.38 0.00 0.05 -2.00 121.76 134.54 2joe s ALA 20 Ca 0.17 -1.71 -0.05 0.00 0.00 0.00 0.00 51.96 50.37 2joe s ALA 20 Cb -0.18 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.01 2joe s ALA 20 CO 0.14 -1.20 -0.00 0.42 0.00 0.00 0.00 175.76 175.11 2joe s ILE 21 N 1.27 3.95 -0.51 0.00 1.01 -0.48 -0.96 121.20 125.49 2joe s ILE 21 Ca -0.04 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.14 2joe s ILE 21 Cb -0.19 -2.78 0.11 0.00 0.01 0.00 0.00 42.46 39.61 2joe s ILE 21 CO -0.01 0.43 0.44 -0.89 0.00 0.00 0.00 174.94 174.91 2joe s THR 22 N 0.96 5.04 -0.48 2.92 2.01 0.11 -1.82 115.64 124.38 2joe s THR 22 Ca 0.01 -1.41 -0.27 0.00 0.31 0.00 0.00 61.69 60.33 2joe s THR 22 Cb -0.14 -4.17 0.03 0.00 0.01 0.00 0.00 72.50 68.22 2joe s THR 22 CO 0.02 -0.76 1.06 -0.31 -0.69 0.00 0.00 174.62 173.94 2joe s TYR 23 N 1.57 2.84 -0.53 4.92 2.02 0.89 -1.62 117.35 127.44 2joe s TYR 23 Ca 0.04 0.55 -0.19 0.00 -0.37 0.00 0.00 57.07 57.09 2joe s TYR 23 Cb -0.28 -4.27 0.06 0.00 -0.40 0.00 0.00 41.96 37.08 2joe s TYR 23 CO 0.04 -1.24 0.66 0.08 -1.57 0.00 0.00 175.55 173.52 2joe s VAL 24 N 4.22 4.82 0.29 0.71 1.01 0.10 -0.11 120.40 131.44 2joe s VAL 24 Ca 0.43 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.96 2joe s VAL 24 Cb -0.08 -4.35 -0.06 0.00 0.00 0.00 0.00 36.38 31.89 2joe s VAL 24 CO 0.29 -0.89 -0.08 -0.72 0.00 0.00 0.00 175.10 173.70 2joe s TYR 25 N 2.75 2.04 -0.12 5.22 1.13 0.11 -0.81 117.35 127.67 2joe s TYR 25 Ca 0.16 -0.63 -0.02 0.00 -1.41 0.00 0.00 57.07 55.16 2joe s TYR 25 Cb -0.20 -1.14 0.04 0.00 -1.10 0.00 0.00 41.96 39.57 2joe s TYR 25 CO 0.11 0.37 0.03 0.21 -2.51 0.00 0.00 175.55 173.76 2joe s LYS 26 N -3.69 0.45 7.18 -3.49 2.36 0.74 -0.27 119.74 123.02 2joe s LYS 26 Ca 0.30 -0.03 0.00 0.00 -2.55 0.00 0.00 55.97 53.68 2joe s LYS 26 Cb 0.03 -1.36 0.00 0.00 -1.05 0.00 0.00 37.83 35.45 2joe s LYS 26 CO 0.13 -0.46 0.00 0.41 1.55 0.00 0.00 175.35 176.98 2joe n GLY 27 N 5.16 2.37 0.40 5.54 0.00 -1.26 -1.71 105.19 115.70 2joe n GLY 27 Ca -0.07 -0.18 0.04 0.00 0.00 0.00 0.00 46.02 45.81 2joe n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2joe n ASP 28 N 9.67 2.39 -4.44 1.61 2.03 -1.26 -4.92 116.55 121.63 2joe n ASP 28 Ca 0.00 -1.83 -0.44 0.00 0.52 0.00 0.00 54.79 53.04 2joe n ASP 28 Cb 0.00 -0.12 -0.08 0.00 -0.72 0.00 0.00 41.12 40.20 2joe n ASP 28 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2joe s LYS 29 N -0.91 3.03 -0.35 -0.67 2.20 -0.70 0.14 119.74 122.48 2joe s LYS 29 Ca 0.14 -1.03 -0.29 0.00 -0.36 0.00 0.00 55.97 54.43 2joe s LYS 29 Cb 0.08 -4.04 0.01 0.00 -1.51 0.00 0.00 37.83 32.37 2joe s LYS 29 CO 0.10 -0.93 1.26 0.08 -0.36 0.00 0.00 175.35 175.51 2joe s VAL 30 N 1.93 4.16 -0.15 4.02 1.01 -1.26 -0.19 120.40 129.91 2joe s VAL 30 Ca 0.08 1.28 -0.03 0.00 0.00 0.00 0.00 61.98 63.31 2joe s VAL 30 Cb -0.20 -4.27 -0.24 0.00 0.00 0.00 0.00 36.38 31.67 2joe s VAL 30 CO 0.10 -0.61 0.22 0.18 0.00 0.00 0.00 175.10 175.00 2joe n LEU 31 N 7.76 2.60 -3.88 3.92 4.77 0.01 -4.55 117.00 127.64 2joe n LEU 31 Ca 0.14 0.12 -0.24 0.00 -0.03 0.00 0.00 56.01 56.01 2joe n LEU 31 Cb 0.47 -0.97 -0.17 0.00 -2.33 0.00 0.00 43.42 40.42 2joe n LEU 31 CO 0.65 0.85 -0.42 -0.54 -1.33 0.00 0.00 177.39 176.60 2joe s LYS 32 N -2.55 1.13 -0.56 3.23 1.02 -0.18 0.27 119.74 122.10 2joe s LYS 32 Ca -0.25 -0.13 -0.08 0.00 0.02 0.00 0.00 55.97 55.53 2joe s LYS 32 Cb 0.07 -1.24 0.15 0.00 -0.52 0.00 0.00 37.83 36.29 2joe s LYS 32 CO 0.73 -0.21 0.43 -1.14 -0.92 0.00 0.00 175.35 174.24 2joe s GLN 33 N 1.52 2.65 -0.75 1.68 0.74 0.65 0.02 119.66 126.17 2joe s GLN 33 Ca -0.00 -2.07 -0.23 0.00 0.05 0.00 0.00 55.36 53.10 2joe s GLN 33 Cb -0.13 -3.94 0.07 0.00 1.10 0.00 0.00 33.01 30.11 2joe s GLN 33 CO -0.04 -1.20 1.11 -1.12 -0.55 0.00 0.00 175.29 173.49 2joe s SER 34 N 2.05 6.26 -0.56 6.67 0.01 -0.64 -0.53 113.70 126.95 2joe s SER 34 Ca 0.11 -1.04 -0.17 0.00 1.31 0.00 0.00 55.95 56.15 2joe s SER 34 Cb -0.22 -2.47 0.11 0.00 0.21 0.00 0.00 66.02 63.66 2joe s SER 34 CO -0.03 -1.50 0.60 -0.44 0.41 0.00 0.00 173.24 172.28 2joe s SER 35 N 3.81 6.19 -0.43 2.44 0.01 0.11 0.07 113.70 125.89 2joe s SER 35 Ca 0.29 -1.59 -0.16 0.00 1.31 0.00 0.00 55.95 55.80 2joe s SER 35 Cb -0.12 -2.25 0.03 0.00 0.21 0.00 0.00 66.02 63.89 2joe s SER 35 CO 0.07 -0.97 0.38 -1.61 0.41 0.00 0.00 173.24 171.51 2joe s GLU 36 N 2.14 3.02 -0.48 12.44 2.02 -0.13 -2.02 118.70 135.68 2joe s GLU 36 Ca 0.07 -1.01 -0.16 0.00 0.02 0.00 0.00 54.97 53.89 2joe s GLU 36 Cb -0.27 -4.02 0.08 0.00 0.10 0.00 0.00 34.13 30.02 2joe s GLU 36 CO 0.05 -0.87 0.43 0.99 0.02 0.00 0.00 175.26 175.88 2joe s THR 37 N 1.86 5.19 -0.54 3.63 2.01 -0.01 -0.77 115.64 127.01 2joe s THR 37 Ca 0.07 -1.05 -0.24 0.00 0.31 0.00 0.00 61.69 60.79 2joe s THR 37 Cb -0.20 -4.17 0.04 0.00 0.01 0.00 0.00 72.50 68.19 2joe s THR 37 CO 0.10 -0.63 0.90 -0.75 -0.69 0.00 0.00 174.62 173.55 2joe s LYS 38 N 1.75 3.32 -0.37 4.92 2.20 0.58 -0.17 119.74 131.96 2joe s LYS 38 Ca 0.05 -0.32 -0.11 0.00 -0.36 0.00 0.00 55.97 55.24 2joe s LYS 38 Cb -0.24 -4.05 0.03 0.00 -1.51 0.00 0.00 37.83 32.05 2joe s LYS 38 CO 0.07 -1.43 0.20 0.42 -0.36 0.00 0.00 175.35 174.25 2joe s ILE 39 N 3.76 4.56 0.62 5.43 1.01 0.11 -0.53 121.20 136.16 2joe s ILE 39 Ca 0.29 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 59.93 2joe s ILE 39 Cb -0.13 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 2joe s ILE 39 CO 0.19 -0.21 1.16 -1.10 0.00 0.00 0.00 174.94 174.98 2joe s GLN 40 N 1.55 2.90 0.39 2.79 1.11 -1.26 -0.42 119.66 126.73 2joe s GLN 40 Ca 0.02 1.65 0.14 0.00 0.01 0.00 0.00 55.36 57.17 2joe s GLN 40 Cb -0.19 -1.94 0.81 0.00 -1.01 0.00 0.00 33.01 30.68 2joe s GLN 40 CO 0.07 -1.22 1.88 0.74 0.01 0.00 0.00 175.29 176.76 2joe h PHE 41 N 0.57 0.00 0.00 0.91 -1.00 -1.87 -0.80 116.94 114.74 2joe h PHE 41 Ca -0.49 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.29 2joe h PHE 41 Cb 1.27 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.83 2joe h PHE 41 CO 0.50 0.32 -0.00 0.00 -1.61 0.00 0.00 178.31 177.51 2joe h ALA 42 N 1.68 1.00 0.06 2.45 0.00 -1.87 0.17 119.26 122.75 2joe h ALA 42 Ca -0.00 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 2joe h ALA 42 Cb 0.56 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2joe h ALA 42 CO 0.04 0.00 -1.74 0.77 0.00 0.00 0.00 179.25 178.33 2joe h SER 43 N 0.00 0.19 0.66 0.00 0.02 -1.47 -3.35 113.55 109.60 2joe h SER 43 Ca -0.00 -0.38 -0.27 0.00 -0.84 0.00 0.00 61.79 60.30 2joe h SER 43 Cb 0.60 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 2joe h SER 43 CO 0.00 1.33 -1.40 -0.29 -1.14 0.00 0.00 176.83 175.34 2joe h ILE 44 N 0.03 1.26 -0.48 3.27 2.10 -1.33 -3.49 117.51 118.87 2joe h ILE 44 Ca -0.31 -2.99 0.00 0.00 1.08 0.00 0.00 64.86 62.64 2joe h ILE 44 Cb 2.01 2.68 0.00 0.00 -1.09 0.00 0.00 36.82 40.42 2joe h ILE 44 CO 0.10 0.77 0.00 0.61 -1.08 0.00 0.00 178.15 178.55 2joe n GLY 45 N 1.52 0.98 3.95 8.18 0.00 -0.03 -5.09 105.19 114.70 2joe n GLY 45 Ca -0.11 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.48 3.80 -0.05 4.61 0.00 -0.75 -5.05 121.76 121.83 2joe s ALA 46 Ca 0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 50.86 2joe s ALA 46 Cb 0.00 -1.98 -0.02 0.00 0.00 0.00 0.00 23.12 21.13 2joe s ALA 46 CO 0.00 0.02 -0.09 2.41 0.00 0.00 0.00 175.76 178.10 2joe n THR 47 N -1.70 0.44 -4.63 0.00 -1.04 -1.26 -4.80 114.28 101.30 2joe n THR 47 Ca -0.05 0.40 -0.27 0.00 -2.04 0.00 0.00 64.05 62.08 2joe n THR 47 Cb 0.57 -1.76 -0.06 0.00 -1.82 0.00 0.00 70.33 67.26 2joe n THR 47 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2joe n THR 48 N -3.05 0.00 0.10 12.58 -2.24 -1.26 -5.00 114.28 115.41 2joe n THR 48 Ca -0.04 -2.09 -0.02 0.00 -2.27 0.00 0.00 64.05 59.63 2joe n THR 48 Cb 0.13 0.47 0.22 0.00 -2.10 0.00 0.00 70.33 69.05 2joe n THR 48 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2joe h LYS 49 N 0.00 0.20 -0.30 -0.78 2.10 -1.98 -0.18 116.57 115.63 2joe h LYS 49 Ca -0.35 -0.10 -0.08 0.00 -2.00 0.00 0.00 60.65 58.12 2joe h LYS 49 Cb 1.11 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.43 2joe h LYS 49 CO 0.58 0.62 -0.11 0.93 -2.00 0.00 0.00 179.45 179.47 2joe h GLU 50 N 0.16 0.61 -0.85 0.07 3.07 -1.98 -1.74 114.58 113.92 2joe h GLU 50 Ca 0.01 -0.25 0.03 0.00 -0.50 0.00 0.00 59.36 58.65 2joe h GLU 50 Cb 0.87 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.70 2joe h GLU 50 CO 0.07 0.82 0.55 0.22 -1.40 0.00 0.00 179.01 179.27 2joe h ASP 51 N 0.37 0.92 -0.38 1.42 3.58 -1.85 -1.87 116.42 118.61 2joe h ASP 51 Ca 0.07 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.46 2joe h ASP 51 Cb 0.62 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 2joe h ASP 51 CO 0.04 0.64 0.04 0.00 -2.88 0.00 0.00 179.24 177.08 2joe h ALA 52 N 1.34 0.50 -0.40 -0.78 0.00 -0.93 -3.13 119.26 115.86 2joe h ALA 52 Ca 0.33 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2joe h ALA 52 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2joe h ALA 52 CO -0.11 0.24 0.22 0.00 0.00 0.00 0.00 179.25 179.60 2joe h ALA 53 N 0.90 0.52 0.00 0.00 0.00 -0.91 0.16 119.26 119.92 2joe h ALA 53 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2joe h ALA 53 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2joe h ALA 53 CO 0.01 0.05 0.00 1.63 0.00 0.00 0.00 179.25 180.94 2joe n LYS 54 N -4.73 0.08 -0.13 0.00 5.02 -0.74 -0.05 118.16 117.61 2joe n LYS 54 Ca 0.00 0.50 -0.25 0.00 -2.02 0.00 0.00 58.31 56.55 2joe n LYS 54 Cb 0.08 -1.71 -0.11 0.00 -0.02 0.00 0.00 35.03 33.27 2joe n LYS 54 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2joe n THR 55 N -1.87 1.53 0.13 -0.18 -1.04 -0.58 -4.66 114.28 107.61 2joe n THR 55 Ca 0.00 -0.45 0.09 0.00 -2.04 0.00 0.00 64.05 61.65 2joe n THR 55 Cb 0.07 -1.71 0.04 0.00 -1.82 0.00 0.00 70.33 66.91 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 -0.57 0.00 0.27 -4.42 3.38 -0.08 -3.26 115.31 110.63 2joe h LEU 56 Ca -0.63 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.33 2joe h LEU 56 Cb 1.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 2joe h LEU 56 CO -0.26 0.15 -0.13 -0.33 0.09 0.00 0.00 178.44 177.95 2joe h GLU 57 N 0.00 -0.35 -0.93 1.13 5.08 -0.69 0.07 114.58 118.90 2joe h GLU 57 Ca -0.03 0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.59 2joe h GLU 57 Cb 1.14 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.41 2joe h GLU 57 CO 0.01 -0.21 0.63 -1.35 -1.00 0.00 0.00 179.01 177.09 2joe h PRO 58 N -0.39 0.26 0.62 2.33 0.11 -1.79 -1.50 132.00 131.65 2joe h PRO 58 Ca -0.04 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 2joe h PRO 58 Cb 0.30 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.36 2joe h PRO 58 CO 0.06 0.17 -0.30 1.25 -0.21 0.00 0.00 178.00 178.98 2joe h LEU 59 N 0.27 -0.71 -2.32 2.35 5.85 -1.27 -3.12 115.31 116.36 2joe h LEU 59 Ca 0.48 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.22 2joe h LEU 59 Cb 1.41 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.62 2joe h LEU 59 CO -0.14 -0.40 -0.02 0.28 -0.34 0.00 0.00 178.44 177.82 2joe h SER 60 N -1.05 0.00 0.08 1.25 0.02 -0.89 -2.07 113.55 110.89 2joe h SER 60 Ca -0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2joe h SER 60 Cb 0.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2joe h SER 60 CO 0.14 0.02 0.00 0.00 -1.14 0.00 0.00 176.83 175.85 2joe n ALA 61 N -2.12 1.91 -0.22 3.77 0.00 -0.58 -2.76 120.51 120.52 2joe n ALA 61 Ca -0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 2joe n ALA 61 Cb 0.17 -1.21 0.05 0.00 0.00 0.00 0.00 19.45 18.46 2joe n ALA 61 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2joe h LYS 62 N 0.00 0.76 0.14 0.00 1.79 -1.47 -3.04 116.57 114.74 2joe h LYS 62 Ca 0.00 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 2joe h LYS 62 Cb 0.04 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 2joe h LYS 62 CO 0.00 0.50 -0.07 1.88 -1.08 0.00 0.00 179.45 180.69 2joe h TYR 63 N 0.78 -0.17 0.00 -1.35 -1.99 -1.79 -3.46 116.97 109.00 2joe h TYR 63 Ca 0.24 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.97 2joe h TYR 63 Cb -0.02 0.06 0.00 0.00 2.00 0.00 0.00 36.73 38.77 2joe h TYR 63 CO -0.04 0.07 0.00 1.17 -0.00 0.00 0.00 178.16 179.35 2joe n LYS 64 N -5.08 0.00 -2.69 4.88 4.81 -1.15 -2.13 118.16 116.79 2joe n LYS 64 Ca -0.09 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.31 2joe n LYS 64 Cb 0.18 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.34 2joe n LYS 64 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2joe n ASN 65 N 3.18 -1.21 -0.29 3.14 4.05 -1.26 -4.96 115.26 117.91 2joe n ASN 65 Ca 0.00 -2.31 0.01 0.00 0.45 0.00 0.00 54.58 52.73 2joe n ASN 65 Cb 0.00 0.64 0.15 0.00 1.23 0.00 0.00 39.78 41.80 2joe n ASN 65 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 2joe h ILE 66 N 3.38 0.97 0.00 -1.44 2.04 -1.79 -3.48 117.51 117.20 2joe h ILE 66 Ca -0.35 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.22 2joe h ILE 66 Cb 1.29 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2joe h ILE 66 CO -0.08 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.23 2joe n ALA 67 N -2.36 0.00 -0.82 1.87 0.00 -1.26 -3.80 120.51 114.13 2joe n ALA 67 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.40 2joe n ALA 67 Cb 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.58 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 2.87 3.63 0.00 0.00 -1.26 -4.86 105.19 105.57 2joe n GLY 68 Ca 0.00 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 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 1.98 5.29 -0.23 1.61 -7.23 -1.26 -3.82 120.40 116.75 2joe s VAL 69 Ca 0.51 0.32 -0.00 0.00 -1.81 0.00 0.00 61.98 61.00 2joe s VAL 69 Cb 0.20 -3.58 0.03 0.00 0.56 0.00 0.00 36.38 33.59 2joe s VAL 69 CO -0.02 0.27 -0.10 -1.83 -0.31 0.00 0.00 175.10 173.11 2joe s GLU 70 N 1.50 2.84 -0.57 4.82 -1.05 -0.86 -4.91 118.70 120.48 2joe s GLU 70 Ca 0.10 -0.96 -0.16 0.00 -0.15 0.00 0.00 54.97 53.81 2joe s GLU 70 Cb -0.15 -2.86 0.14 0.00 -0.44 0.00 0.00 34.13 30.81 2joe s GLU 70 CO 0.08 -0.36 0.53 -1.21 0.95 0.00 0.00 175.26 175.25 2joe s GLU 71 N 1.30 3.04 -0.44 -4.83 8.01 -1.26 -0.78 118.70 123.75 2joe s GLU 71 Ca 0.01 -1.76 -0.14 0.00 0.01 0.00 0.00 54.97 53.09 2joe s GLU 71 Cb -0.16 -4.31 0.05 0.00 -4.31 0.00 0.00 34.13 25.41 2joe s GLU 71 CO -0.07 -1.33 0.33 0.21 0.01 0.00 0.00 175.26 174.41 2joe s LYS 72 N 1.52 2.90 -0.36 1.61 2.20 0.69 -4.93 119.74 123.37 2joe s LYS 72 Ca 0.04 -1.25 -0.23 0.00 -0.36 0.00 0.00 55.97 54.17 2joe s LYS 72 Cb -0.28 -3.99 0.01 0.00 -1.51 0.00 0.00 37.83 32.06 2joe s LYS 72 CO 0.02 -0.91 0.80 -0.51 -0.36 0.00 0.00 175.35 174.39 2joe s LEU 73 N 1.61 4.12 -0.29 5.43 1.43 -1.26 0.15 118.68 129.87 2joe s LEU 73 Ca 0.04 0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 53.41 2joe s LEU 73 Cb -0.22 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 2joe s LEU 73 CO 0.07 -0.74 0.18 0.42 0.23 0.00 0.00 176.35 176.50 2joe s THR 74 N 3.13 5.10 -0.41 5.49 -4.23 0.09 -4.94 115.64 119.87 2joe s THR 74 Ca 0.32 -0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.78 2joe s THR 74 Cb -0.13 -3.47 0.10 0.00 1.34 0.00 0.00 72.50 70.34 2joe s THR 74 CO 0.17 0.20 0.22 -0.31 -0.54 0.00 0.00 174.62 174.36 2joe s TYR 75 N 1.72 3.48 -0.03 3.99 1.51 -1.26 -1.12 117.35 125.64 2joe s TYR 75 Ca 0.07 -2.09 -0.02 0.00 -1.01 0.00 0.00 57.07 54.02 2joe s TYR 75 Cb -0.16 -3.10 -0.01 0.00 -0.11 0.00 0.00 41.96 38.58 2joe s TYR 75 CO 0.09 -0.93 0.17 1.15 -1.11 0.00 0.00 175.55 174.92 2joe h THR 76 N 6.28 0.00 0.00 -0.71 2.02 -1.95 -3.50 112.91 115.05 2joe h THR 76 Ca -0.17 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.73 2joe h THR 76 Cb 1.06 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 2joe h THR 76 CO 0.72 0.00 0.00 -0.67 0.37 0.00 0.00 175.52 175.94 2joe n ASP 77 N -2.95 0.00 0.05 4.18 2.03 -1.26 -4.96 116.55 113.65 2joe n ASP 77 Ca -0.01 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.42 2joe n ASP 77 Cb 0.02 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.54 2joe n ASP 77 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2joe n THR 78 N 0.00 0.32 -3.73 5.18 -2.24 -1.26 -4.63 114.28 107.92 2joe n THR 78 Ca 0.00 -0.29 -0.10 0.00 -2.27 0.00 0.00 64.05 61.39 2joe n THR 78 Cb 0.00 -0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.12 2joe n THR 78 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2joe s TYR 79 N -3.19 -0.08 -0.08 4.78 1.13 -1.26 -2.67 117.35 115.98 2joe s TYR 79 Ca 0.05 -0.20 0.02 0.00 -1.41 0.00 0.00 57.07 55.53 2joe s TYR 79 Cb 0.13 0.12 0.01 0.00 -1.10 0.00 0.00 41.96 41.12 2joe s TYR 79 CO 0.75 -0.59 -0.14 0.00 -2.51 0.00 0.00 175.55 173.07 2joe s ALA 80 N -3.35 1.46 -0.18 9.51 0.00 0.44 -2.97 121.76 126.67 2joe s ALA 80 Ca 0.01 -0.56 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 2joe s ALA 80 Cb 0.02 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 2joe s ALA 80 CO -0.08 0.03 -0.09 -1.14 0.00 0.00 0.00 175.76 174.48 2joe s GLN 81 N 0.81 3.36 -0.91 0.00 0.74 -0.27 0.07 119.66 123.47 2joe s GLN 81 Ca -0.11 -0.66 -0.22 0.00 0.05 0.00 0.00 55.36 54.42 2joe s GLN 81 Cb -0.15 -2.82 0.08 0.00 1.10 0.00 0.00 33.01 31.21 2joe s GLN 81 CO 0.02 -0.02 1.26 -1.21 -0.55 0.00 0.00 175.29 174.79 2joe s GLU 82 N 0.97 3.48 -1.02 1.67 2.02 0.76 -0.73 118.70 125.84 2joe s GLU 82 Ca -0.01 -1.17 -0.23 0.00 0.02 0.00 0.00 54.97 53.59 2joe s GLU 82 Cb -0.15 -4.91 0.05 0.00 0.10 0.00 0.00 34.13 29.22 2joe s GLU 82 CO -0.01 -2.01 1.44 1.21 0.02 0.00 0.00 175.26 175.91 2joe s ASN 83 N 4.22 6.51 -0.10 -0.19 3.84 0.12 -0.83 114.94 128.51 2joe s ASN 83 Ca 0.37 -1.47 -0.05 0.00 0.21 0.00 0.00 52.86 51.92 2joe s ASN 83 Cb -0.05 -2.56 -0.04 0.00 -0.55 0.00 0.00 41.25 38.05 2joe s ASN 83 CO -0.04 -1.49 0.08 -0.69 -2.79 0.00 0.00 177.10 172.17 2joe s VAL 84 N 4.89 5.01 -0.26 -5.21 1.01 -0.86 -0.22 120.40 124.76 2joe s VAL 84 Ca 0.45 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 2joe s VAL 84 Cb -0.00 -3.16 0.08 0.00 0.00 0.00 0.00 36.38 33.30 2joe s VAL 84 CO -0.10 0.61 0.04 -0.89 0.00 0.00 0.00 175.10 174.76 2joe s THR 85 N -0.98 1.04 -0.40 3.92 2.01 0.04 0.06 115.64 121.34 2joe s THR 85 Ca 0.15 -1.18 -0.18 0.00 0.31 0.00 0.00 61.69 60.79 2joe s THR 85 Cb -0.12 -1.59 0.01 0.00 0.01 0.00 0.00 72.50 70.82 2joe s THR 85 CO 0.04 -0.39 0.48 -0.63 -0.69 0.00 0.00 174.62 173.43 2joe s ILE 86 N 1.58 5.03 -0.29 1.82 1.01 0.31 -2.02 121.20 128.64 2joe s ILE 86 Ca 0.03 -0.08 -0.27 0.00 0.00 0.00 0.00 60.65 60.33 2joe s ILE 86 Cb -0.18 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.27 2joe s ILE 86 CO -0.14 -0.37 0.96 -0.62 0.00 0.00 0.00 174.94 174.77 2joe s ASP 87 N 1.83 6.88 0.00 3.58 2.15 -1.25 -0.25 116.67 129.61 2joe s ASP 87 Ca 0.15 1.01 0.28 0.00 0.43 0.00 0.00 52.55 54.42 2joe s ASP 87 Cb -0.16 -2.49 1.11 0.00 -0.30 0.00 0.00 42.92 41.07 2joe s ASP 87 CO 0.14 -0.73 1.78 0.23 -0.17 0.00 0.00 175.17 176.43 2joe n MET 88 N 6.48 1.06 0.17 4.34 2.81 0.14 -1.98 117.12 130.13 2joe n MET 88 Ca 0.09 -0.50 0.12 0.00 -1.81 0.00 0.00 57.70 55.60 2joe n MET 88 Cb 0.47 -1.49 0.15 0.00 -0.71 0.00 0.00 33.22 31.64 2joe n MET 88 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2joe h GLU 89 N 1.23 0.00 0.00 0.03 5.08 -1.86 -3.34 114.58 115.72 2joe h GLU 89 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2joe h GLU 89 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2joe h GLU 89 CO 0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 2joe n LYS 90 N -2.84 0.09 -2.34 2.33 5.02 -1.20 -5.07 118.16 114.15 2joe n LYS 90 Ca 0.03 -0.26 -0.41 0.00 -2.02 0.00 0.00 58.31 55.64 2joe n LYS 90 Cb 0.52 -0.74 -0.03 0.00 -0.02 0.00 0.00 35.03 34.76 2joe n LYS 90 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2joe s VAL 91 N -0.09 3.52 -0.28 -0.18 0.11 -0.84 -4.56 120.40 118.09 2joe s VAL 91 Ca 0.00 1.25 -0.19 0.00 -2.93 0.00 0.00 61.98 60.11 2joe s VAL 91 Cb 0.00 -3.80 -0.02 0.00 -1.53 0.00 0.00 36.38 31.03 2joe s VAL 91 CO 0.00 0.19 0.57 -0.62 -3.33 0.00 0.00 175.10 171.91 2joe s ASP 92 N 0.27 6.47 0.00 3.54 2.15 -1.25 -4.93 116.67 122.92 2joe s ASP 92 Ca 0.54 0.50 0.29 0.00 0.43 0.00 0.00 52.55 54.31 2joe s ASP 92 Cb -0.33 -2.31 1.32 0.00 -0.30 0.00 0.00 42.92 41.30 2joe s ASP 92 CO 0.36 -0.37 1.93 0.49 -0.17 0.00 0.00 175.17 177.41 2joe n PHE 93 N 5.69 0.00 -0.10 -5.34 3.01 -1.26 -2.96 117.46 116.50 2joe n PHE 93 Ca -0.02 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.30 2joe n PHE 93 Cb 0.49 -0.29 -0.03 0.00 -0.01 0.00 0.00 39.48 39.64 2joe n PHE 93 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 2joe h LYS 94 N 0.17 0.85 -0.12 -1.08 3.64 -1.96 -2.23 116.57 115.84 2joe h LYS 94 Ca 0.00 -0.46 -0.11 0.00 -1.27 0.00 0.00 60.65 58.80 2joe h LYS 94 Cb 0.36 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2joe h LYS 94 CO 0.00 1.11 -0.43 0.00 -2.27 0.00 0.00 179.45 177.86 2joe h ALA 95 N 0.73 1.06 0.00 5.00 0.00 -1.94 -2.68 119.26 121.43 2joe h ALA 95 Ca 0.05 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2joe h ALA 95 Cb 0.97 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2joe h ALA 95 CO 0.09 0.61 0.00 1.28 0.00 0.00 0.00 179.25 181.23 2joe n LEU 96 N -4.01 0.00 0.22 0.00 4.77 -1.03 -1.97 117.00 114.98 2joe n LEU 96 Ca -0.02 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.03 2joe n LEU 96 Cb 0.49 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 42.08 2joe n LEU 96 CO 0.42 0.00 0.82 -0.61 -1.33 0.00 0.00 177.39 176.70 2joe h GLN 97 N 0.00 0.00 -0.00 3.23 4.15 -1.05 -3.23 115.11 118.21 2joe h GLN 97 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2joe h GLN 97 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2joe h GLN 97 CO 0.00 0.26 -0.19 0.41 -1.93 0.00 0.00 178.83 177.38 2joe n GLY 98 N -0.48 0.38 3.20 2.39 0.00 -0.83 -5.01 105.19 104.84 2joe n GLY 98 Ca -0.02 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 2joe n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2joe s ILE 99 N -1.31 1.44 0.11 -0.61 1.01 -1.08 -5.04 121.20 115.72 2joe s ILE 99 Ca 0.02 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 59.68 2joe s ILE 99 Cb 0.04 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.26 2joe s ILE 99 CO 0.17 0.23 0.00 -1.54 0.00 0.00 0.00 174.94 173.80 2joe n SER 100 N 2.14 -0.50 0.00 3.58 3.41 -1.26 -4.28 113.62 116.71 2joe n SER 100 Ca -0.16 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2joe n SER 100 Cb 0.54 0.64 0.00 0.00 -0.26 0.00 0.00 64.21 65.13 2joe n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2joe n GLY 101 N 0.44 0.73 3.25 5.00 0.00 -1.26 -5.01 105.19 108.34 2joe n GLY 101 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.94 2.57 0.00 -0.61 1.01 -1.26 -5.12 121.20 114.85 2joe s ILE 102 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.85 2joe s ILE 102 Cb 0.00 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.39 2joe s ILE 102 CO 0.00 0.52 0.00 0.59 0.00 0.00 0.00 174.94 176.05 2joe n ASN 103 N 4.06 0.00 0.00 3.58 5.03 -1.26 -4.58 115.26 122.09 2joe n ASN 103 Ca -0.19 -0.03 0.00 0.00 0.87 0.00 0.00 54.58 55.23 2joe n ASN 103 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.28 2joe n ASN 103 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2joe n VAL 104 N -0.04 0.00 -3.66 2.41 0.31 -1.26 -4.61 118.33 111.47 2joe n VAL 104 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 2joe n VAL 104 Cb 0.00 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 2joe n VAL 104 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2joe s SER 105 N -1.18 -0.09 0.56 4.52 1.04 -1.26 -5.01 113.70 112.28 2joe s SER 105 Ca 0.00 0.85 0.33 0.00 0.48 0.00 0.00 55.95 57.60 2joe s SER 105 Cb 0.00 1.07 1.62 0.00 0.10 0.00 0.00 66.02 68.81 2joe s SER 105 CO 0.00 -0.23 2.10 0.00 0.98 0.00 0.00 173.24 176.10 2joe h ALA 106 N 8.09 1.14 0.00 5.32 0.00 -1.81 -1.28 119.26 130.72 2joe h ALA 106 Ca -0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2joe h ALA 106 Cb 1.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2joe h ALA 106 CO 0.15 0.09 -0.17 0.93 0.00 0.00 0.00 179.25 180.25 2joe h GLU 107 N 0.00 0.00 0.00 0.00 3.07 -1.96 -2.63 114.58 113.07 2joe h GLU 107 Ca -0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 2joe h GLU 107 Cb 0.33 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 2joe h GLU 107 CO 0.01 0.17 -0.33 -0.44 -1.40 0.00 0.00 179.01 177.01 2joe h ASP 108 N 0.00 0.00 0.29 1.42 5.19 -1.62 -1.01 116.42 120.69 2joe h ASP 108 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2joe h ASP 108 Cb 0.40 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.91 2joe h ASP 108 CO 0.02 0.33 -0.14 0.00 -3.12 0.00 0.00 179.24 176.34 2joe n ALA 109 N -2.41 2.83 -0.05 3.45 0.00 -0.99 -3.34 120.51 120.00 2joe n ALA 109 Ca -0.02 -0.32 -0.21 0.00 0.00 0.00 0.00 53.44 52.90 2joe n ALA 109 Cb 0.40 -1.27 -0.13 0.00 0.00 0.00 0.00 19.45 18.45 2joe n ALA 109 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2joe n LYS 110 N -0.79 0.70 0.06 0.00 4.76 -0.43 -4.29 118.16 118.18 2joe n LYS 110 Ca 0.14 0.27 -0.06 0.00 -2.87 0.00 0.00 58.31 55.80 2joe n LYS 110 Cb 0.30 -1.66 0.12 0.00 -1.84 0.00 0.00 35.03 31.95 2joe n LYS 110 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 2joe h LYS 111 N -0.13 0.35 0.00 1.97 2.10 -1.56 -3.49 116.57 115.81 2joe h LYS 111 Ca -0.47 -0.22 0.00 0.00 -2.00 0.00 0.00 60.65 57.97 2joe h LYS 111 Cb 1.89 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.25 2joe h LYS 111 CO -0.02 0.80 0.00 0.41 -2.00 0.00 0.00 179.45 178.65 2joe n GLY 112 N 0.16 4.74 3.50 0.07 0.00 -1.21 -5.10 105.19 107.35 2joe n GLY 112 Ca -0.02 -1.07 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.11 4.66 0.34 -0.61 -1.09 -1.26 -4.77 121.20 117.36 2joe s ILE 113 Ca 0.00 -0.05 0.02 0.00 -2.23 0.00 0.00 60.65 58.39 2joe s ILE 113 Cb 0.00 -3.20 -0.01 0.00 -1.58 0.00 0.00 42.46 37.68 2joe s ILE 113 CO 0.00 0.31 0.09 0.35 -1.23 0.00 0.00 174.94 174.46 2joe n THR 114 N 4.94 0.00 0.20 2.92 -2.24 -1.26 -4.63 114.28 114.22 2joe n THR 114 Ca -0.15 -1.88 0.09 0.00 -2.27 0.00 0.00 64.05 59.84 2joe n THR 114 Cb 0.52 0.61 0.23 0.00 -2.10 0.00 0.00 70.33 69.58 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 0.00 0.14 -0.78 4.05 -0.66 -2.65 114.93 115.03 2joe h MET 115 Ca -0.27 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.16 2joe h MET 115 Cb 0.97 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.75 2joe h MET 115 CO 0.43 0.20 -0.18 0.00 0.23 0.00 0.00 176.91 177.58 2joe h ALA 116 N 1.80 -0.34 0.22 0.39 0.00 -1.96 0.81 119.26 120.20 2joe h ALA 116 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2joe h ALA 116 Cb 1.03 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2joe h ALA 116 CO 0.03 -0.72 -0.19 1.96 0.00 0.00 0.00 179.25 180.33 2joe h GLN 117 N -0.38 -0.39 -0.74 0.00 7.50 -1.92 -2.79 115.11 116.40 2joe h GLN 117 Ca 0.02 0.03 0.14 0.00 0.50 0.00 0.00 58.65 59.33 2joe h GLN 117 Cb 0.38 0.09 -0.14 0.00 0.05 0.00 0.00 27.48 27.86 2joe h GLN 117 CO -0.08 -0.26 -0.25 0.52 -1.50 0.00 0.00 178.83 177.26 2joe h MET 118 N -0.40 -0.05 0.27 1.46 2.86 -1.42 0.46 114.93 118.11 2joe h MET 118 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2joe h MET 118 Cb 0.34 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 2joe h MET 118 CO -0.00 -0.03 -0.27 0.93 1.06 0.00 0.00 176.91 178.60 2joe h GLU 119 N -0.05 -0.55 -0.14 1.72 4.39 -0.86 0.26 114.58 119.34 2joe h GLU 119 Ca 0.33 0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.95 2joe h GLU 119 Cb 0.56 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2joe h GLU 119 CO -0.78 -0.37 -0.41 1.25 -1.16 0.00 0.00 179.01 177.55 2joe h LEU 120 N -0.57 0.34 0.01 1.33 7.12 -1.05 -2.71 115.31 119.79 2joe h LEU 120 Ca -0.01 -0.15 -0.27 0.00 0.13 0.00 0.00 57.88 57.59 2joe h LEU 120 Cb 0.53 -0.10 0.02 0.00 -0.53 0.00 0.00 40.66 40.58 2joe h LEU 120 CO -0.06 0.72 -1.12 0.58 -0.13 0.00 0.00 178.44 178.44 2joe h VAL 121 N 0.27 1.33 -0.64 1.05 2.07 0.12 0.48 116.25 120.93 2joe h VAL 121 Ca 0.02 -2.45 -0.04 0.00 0.82 0.00 0.00 66.70 65.06 2joe h VAL 121 Cb 0.84 2.56 -0.03 0.00 -1.52 0.00 0.00 31.29 33.14 2joe h VAL 121 CO 0.07 0.74 0.25 0.24 0.02 0.00 0.00 177.57 178.89 2joe h MET 122 N 0.28 0.95 -0.53 1.57 2.86 -0.47 -0.41 114.93 119.18 2joe h MET 122 Ca -0.14 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.30 2joe h MET 122 Cb 1.78 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 33.26 2joe h MET 122 CO 0.21 0.81 0.24 -0.22 1.06 0.00 0.00 176.91 179.00 2joe h LYS 123 N 0.89 0.77 -0.24 1.72 3.64 -1.39 -0.23 116.57 121.73 2joe h LYS 123 Ca 0.21 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2joe h LYS 123 Cb 0.21 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2joe h LYS 123 CO -0.02 0.65 0.13 0.00 -2.27 0.00 0.00 179.45 177.95 2joe h ALA 124 N 1.08 0.31 0.00 5.00 0.00 -0.55 -2.68 119.26 122.42 2joe h ALA 124 Ca 0.18 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2joe h ALA 124 Cb 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2joe h ALA 124 CO -0.02 -0.16 -0.31 0.00 0.00 0.00 0.00 179.25 178.76 2joe h ALA 125 N 1.02 1.29 -0.03 0.00 0.00 -0.99 -3.47 119.26 117.07 2joe h ALA 125 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2joe h ALA 125 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2joe h ALA 125 CO -0.01 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.04 2joe n GLY 126 N -0.38 1.55 3.77 0.00 0.00 -0.56 -5.08 105.19 104.50 2joe n GLY 126 Ca -0.02 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.03 3.92 -0.16 1.61 0.08 -0.21 -5.03 117.98 116.16 2joe s PHE 127 Ca 0.00 1.69 -0.07 0.00 0.12 0.00 0.00 56.93 58.67 2joe s PHE 127 Cb 0.00 -2.82 -0.04 0.00 -0.57 0.00 0.00 43.02 39.59 2joe s PHE 127 CO 0.00 0.50 0.10 -1.59 -0.10 0.00 0.00 175.22 174.12 2joe s LYS 128 N -1.12 3.78 0.06 0.44 -2.85 -1.26 -4.69 119.74 114.10 2joe s LYS 128 Ca 0.37 -0.26 -0.24 0.00 -1.00 0.00 0.00 55.97 54.84 2joe s LYS 128 Cb -0.24 -3.22 -0.06 0.00 -2.06 0.00 0.00 37.83 32.26 2joe s LYS 128 CO 0.27 0.47 0.75 -1.21 0.10 0.00 0.00 175.35 175.73 2joe s GLU 129 N -0.16 4.48 -0.22 1.78 2.02 -1.26 -2.20 118.70 123.15 2joe s GLU 129 Ca 0.09 1.04 -0.01 0.00 0.02 0.00 0.00 54.97 56.11 2joe s GLU 129 Cb -0.12 -3.34 -0.13 0.00 0.10 0.00 0.00 34.13 30.64 2joe s GLU 129 CO 0.01 0.35 -0.21 0.28 0.02 0.00 0.00 175.26 175.70 2joe n VAL 130 N 2.58 1.24 -4.20 2.63 0.31 0.15 -4.93 118.33 116.12 2joe n VAL 130 Ca -0.04 -0.45 0.02 0.00 -0.01 0.00 0.00 64.34 63.86 2joe n VAL 130 Cb 0.50 -1.36 -0.00 0.00 -0.91 0.00 0.00 33.84 32.06 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 -3.29 -0.23 0.00 5.55 5.02 0.15 -4.68 118.16 120.67 2joe n LYS 131 Ca -0.40 0.15 0.02 0.00 -2.02 0.00 0.00 58.31 56.07 2joe n LYS 131 Cb 0.89 -0.28 -0.00 0.00 -0.02 0.00 0.00 35.03 35.61 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 0.73 -4.57 -0.35 4.32 -1.26 -4.72 117.00 111.16 2joe n LEU 132 Ca 0.00 -0.72 -0.31 0.00 -0.02 0.00 0.00 56.01 54.96 2joe n LEU 132 Cb 0.05 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.81 2joe n LEU 132 CO 0.00 0.16 1.45 -1.61 -1.22 0.00 0.00 177.39 176.17 2joe s GLU 133 N -0.96 2.84 -0.02 3.23 8.01 -1.26 -4.59 118.70 125.95 2joe s GLU 133 Ca 0.03 -0.76 0.08 0.00 0.01 0.00 0.00 54.97 54.33 2joe s GLU 133 Cb 0.04 -5.19 0.21 0.00 -4.31 0.00 0.00 34.13 24.87 2joe s GLU 133 CO 0.12 -3.21 1.17 0.72 0.01 0.00 0.00 175.26 174.07 2joe n HIS 134 N 12.71 0.30 0.00 1.61 8.25 -1.26 -4.77 115.22 132.06 2joe n HIS 134 Ca 0.41 -0.56 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2joe n HIS 134 Cb 0.48 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.52 2joe n HIS 134 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2joe n HIS 135 N -0.06 0.00 0.00 4.41 8.25 -1.26 -5.06 115.22 121.49 2joe n HIS 135 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2joe n HIS 135 Cb 0.41 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.48 2joe n HIS 135 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2joe n HIS 136 N -1.04 -0.05 -3.77 4.41 8.25 -1.26 -5.06 115.22 116.71 2joe n HIS 136 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 2joe n HIS 136 Cb 0.00 0.11 0.03 0.00 1.12 0.00 0.00 29.99 31.25 2joe n HIS 136 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2joe n HIS 137 N -1.34 -1.95 0.00 4.41 -0.00 -1.26 -4.95 115.22 110.13 2joe n HIS 137 Ca 0.00 0.84 0.00 0.00 -0.00 0.00 0.00 57.72 58.56 2joe n HIS 137 Cb 0.00 -4.25 0.00 0.00 -0.00 0.00 0.00 29.99 25.74 2joe n HIS 137 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2joe n HIS 138 N -4.36 0.00 0.00 1.57 -0.00 -1.26 -5.14 115.22 106.03 2joe n HIS 138 Ca -0.24 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.94 2joe n HIS 138 Cb 0.65 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.52 2joe n HIS 138 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38