#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dir n SER 2 N 0.00 5.89 -4.57 1.61 7.64 -1.26 -4.85 113.62 118.08 2dir n SER 2 Ca 0.00 -2.83 -0.36 0.00 1.01 0.00 0.00 58.87 56.69 2dir n SER 2 Cb 0.00 -1.27 -0.03 0.00 -1.01 0.00 0.00 64.21 61.90 2dir n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dir s SER 3 N 1.13 6.06 0.07 6.43 0.01 -1.26 -4.85 113.70 121.28 2dir s SER 3 Ca 0.52 -1.57 -0.28 0.00 1.31 0.00 0.00 55.95 55.94 2dir s SER 3 Cb 0.30 -2.57 0.09 0.00 0.21 0.00 0.00 66.02 64.05 2dir s SER 3 CO -0.09 -1.94 1.12 -0.83 0.41 0.00 0.00 173.24 171.92 2dir s GLY 4 N 5.70 -0.31 -0.45 3.44 0.00 -1.26 -5.12 107.32 109.32 2dir s GLY 4 Ca 0.57 0.38 0.02 0.00 0.00 0.00 0.00 44.72 45.70 2dir s GLY 4 CO 0.00 0.17 0.28 -0.56 0.00 0.00 0.00 173.10 172.99 2dir s SER 5 N -2.98 3.30 0.06 1.64 0.01 -1.26 -5.10 113.70 109.36 2dir s SER 5 Ca 0.14 -2.77 -0.31 0.00 1.31 0.00 0.00 55.95 54.32 2dir s SER 5 Cb 0.02 -0.90 -0.07 0.00 0.21 0.00 0.00 66.02 65.27 2dir s SER 5 CO -0.01 -0.24 1.52 -0.44 0.41 0.00 0.00 173.24 174.49 2dir s SER 6 N 0.21 6.72 0.41 2.44 0.01 -1.26 -4.71 113.70 117.52 2dir s SER 6 Ca 0.21 2.34 0.00 0.00 1.31 0.00 0.00 55.95 59.81 2dir s SER 6 Cb -0.17 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2dir s SER 6 CO -0.05 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.42 2dir n GLY 7 N 3.79 -1.81 3.51 3.44 0.00 -1.26 -5.07 105.19 107.80 2dir n GLY 7 Ca 0.14 0.38 -0.42 0.00 0.00 0.00 0.00 46.02 46.13 2dir n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dir s LYS 8 N -1.87 3.17 0.24 1.61 1.02 -1.26 -4.89 119.74 117.77 2dir s LYS 8 Ca 0.00 -0.52 0.00 0.00 0.02 0.00 0.00 55.97 55.48 2dir s LYS 8 Cb 0.00 -4.24 0.57 0.00 -0.52 0.00 0.00 37.83 33.64 2dir s LYS 8 CO 0.00 -2.02 1.25 0.00 -0.92 0.00 0.00 175.35 173.66 2dir n ALA 9 N 8.68 0.38 -0.25 5.17 0.00 -1.26 0.37 120.51 133.59 2dir n ALA 9 Ca 0.01 0.86 0.11 0.00 0.00 0.00 0.00 53.44 54.42 2dir n ALA 9 Cb 0.48 -0.61 0.21 0.00 0.00 0.00 0.00 19.45 19.53 2dir n ALA 9 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2dir n PHE 10 N -5.15 0.47 -0.07 0.00 -0.00 -1.26 -0.34 117.46 111.10 2dir n PHE 10 Ca 0.18 0.88 -0.12 0.00 -0.00 0.00 0.00 57.45 58.39 2dir n PHE 10 Cb 0.58 -1.05 -0.10 0.00 -0.00 0.00 0.00 39.48 38.91 2dir n PHE 10 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 2dir h LEU 11 N 0.00 0.00 -0.93 -2.13 3.38 -0.50 -2.97 115.31 112.17 2dir h LEU 11 Ca 0.44 -0.74 0.18 0.00 0.09 0.00 0.00 57.88 57.85 2dir h LEU 11 Cb 0.91 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.49 2dir h LEU 11 CO -0.69 0.95 -0.25 -0.62 0.09 0.00 0.00 178.44 177.92 2dir n GLU 12 N -4.62 -0.10 0.02 1.13 1.02 0.54 -0.35 120.64 118.27 2dir n GLU 12 Ca -0.10 1.45 -0.13 0.00 -0.02 0.00 0.00 57.16 58.35 2dir n GLU 12 Cb 0.41 -2.16 -0.09 0.00 -0.02 0.00 0.00 31.44 29.58 2dir n GLU 12 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2dir h ASP 13 N 0.00 -0.07 -0.88 1.62 3.58 -1.13 -3.30 116.42 116.24 2dir h ASP 13 Ca 0.43 -0.40 0.08 0.00 0.42 0.00 0.00 57.03 57.57 2dir h ASP 13 Cb 0.66 0.02 -0.11 0.00 1.72 0.00 0.00 39.33 41.61 2dir h ASP 13 CO -0.95 0.37 -0.57 -0.03 -2.88 0.00 0.00 179.24 175.18 2dir h MET 14 N -0.53 -0.08 0.00 0.28 4.05 -0.51 -2.30 114.93 115.83 2dir h MET 14 Ca -0.01 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2dir h MET 14 Cb 0.46 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.28 2dir h MET 14 CO 0.01 -0.05 0.00 1.63 0.23 0.00 0.00 176.91 178.73 2dir n LYS 15 N -5.29 0.00 -0.10 0.39 4.01 -0.38 -0.58 118.16 116.21 2dir n LYS 15 Ca 0.01 0.70 -0.03 0.00 -0.51 0.00 0.00 58.31 58.49 2dir n LYS 15 Cb 0.28 -1.09 -0.02 0.00 -0.51 0.00 0.00 35.03 33.69 2dir n LYS 15 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2dir n LYS 16 N -2.40 -0.10 -0.01 1.97 5.02 -0.89 0.10 118.16 121.84 2dir n LYS 16 Ca 0.00 0.98 -0.01 0.00 -2.02 0.00 0.00 58.31 57.27 2dir n LYS 16 Cb 0.00 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.54 2dir n LYS 16 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 2dir h TYR 17 N 0.00 -0.12 -1.34 2.13 3.20 -1.04 0.25 116.97 120.04 2dir h TYR 17 Ca 0.04 0.01 0.42 0.00 3.14 0.00 0.00 58.73 62.34 2dir h TYR 17 Cb 0.10 0.06 -0.12 0.00 1.54 0.00 0.00 36.73 38.31 2dir h TYR 17 CO -0.83 -0.03 0.88 0.00 -1.64 0.00 0.00 178.16 176.54 2dir h ALA 18 N -1.14 2.80 -0.32 1.82 0.00 -0.13 0.58 119.26 122.88 2dir h ALA 18 Ca 0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2dir h ALA 18 Cb 0.04 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2dir h ALA 18 CO -0.05 -1.39 0.00 -1.91 0.00 0.00 0.00 179.25 175.91 2dir n GLU 19 N -4.59 0.00 0.08 0.00 2.13 0.11 -0.00 120.64 118.37 2dir n GLU 19 Ca 0.36 0.45 0.05 0.00 0.66 0.00 0.00 57.16 58.67 2dir n GLU 19 Cb 1.41 -1.22 0.24 0.00 0.27 0.00 0.00 31.44 32.15 2dir n GLU 19 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2dir n THR 20 N -1.84 1.36 -0.04 6.31 5.66 0.24 0.56 114.28 126.52 2dir n THR 20 Ca 0.00 0.61 -0.17 0.00 -3.05 0.00 0.00 64.05 61.44 2dir n THR 20 Cb 0.00 -1.61 -0.14 0.00 -1.55 0.00 0.00 70.33 67.03 2dir n THR 20 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 2dir n PHE 21 N -1.79 0.81 1.23 1.09 7.35 0.20 -4.20 117.46 122.14 2dir n PHE 21 Ca -0.01 0.20 0.13 0.00 -0.76 0.00 0.00 57.45 57.01 2dir n PHE 21 Cb 0.09 -1.11 0.29 0.00 0.35 0.00 0.00 39.48 39.10 2dir n PHE 21 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2dir n LEU 22 N -3.29 2.18 -0.11 -2.13 4.77 0.99 -4.45 117.00 114.96 2dir n LEU 22 Ca -0.33 -0.73 -0.11 0.00 -0.03 0.00 0.00 56.01 54.81 2dir n LEU 22 Cb 1.04 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 42.07 2dir n LEU 22 CO 0.39 0.37 0.56 -0.33 -1.33 0.00 0.00 177.39 177.05 2dir h GLU 23 N 3.36 -0.35 0.00 3.23 5.08 -0.06 1.46 114.58 127.30 2dir h GLU 23 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2dir h GLU 23 Cb 0.74 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2dir h GLU 23 CO 0.00 -0.23 0.00 -0.35 -1.00 0.00 0.00 179.01 177.43 2dir n PRO 24 N -5.41 0.15 -0.01 2.33 -0.04 -1.26 0.33 135.00 131.09 2dir n PRO 24 Ca -0.02 0.18 0.07 0.00 -0.04 0.00 0.00 63.50 63.69 2dir n PRO 24 Cb 0.35 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.19 2dir n PRO 24 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2dir n TRP 25 N -1.35 0.00 0.00 0.54 8.01 0.13 -4.60 117.44 120.17 2dir n TRP 25 Ca 0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.25 2dir n TRP 25 Cb 0.13 -0.38 0.00 0.00 -2.01 0.00 0.00 31.31 29.06 2dir n TRP 25 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 2dir n PHE 26 N -2.07 0.00 -2.57 -5.99 3.72 0.46 -4.46 117.46 106.55 2dir n PHE 26 Ca -0.04 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.95 2dir n PHE 26 Cb 0.44 0.08 -0.04 0.00 -0.94 0.00 0.00 39.48 39.01 2dir n PHE 26 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2dir s LYS 27 N -1.60 4.63 0.88 -1.08 2.20 1.01 -3.95 119.74 121.84 2dir s LYS 27 Ca 0.00 1.66 -0.17 0.00 -0.36 0.00 0.00 55.97 57.10 2dir s LYS 27 Cb 0.00 -3.29 -0.13 0.00 -1.51 0.00 0.00 37.83 32.90 2dir s LYS 27 CO 0.00 0.14 -0.47 0.00 -0.36 0.00 0.00 175.35 174.66 2dir n ALA 28 N 2.33 -4.50 0.80 3.13 0.00 -1.26 -2.27 120.51 118.75 2dir n ALA 28 Ca 0.02 -0.52 0.07 0.00 0.00 0.00 0.00 53.44 53.01 2dir n ALA 28 Cb 0.47 -1.30 0.41 0.00 0.00 0.00 0.00 19.45 19.02 2dir n ALA 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2dir n PRO 29 N 1.69 0.32 -2.58 0.00 -0.04 -1.26 -4.81 135.00 128.32 2dir n PRO 29 Ca 0.02 0.09 -0.33 0.00 -0.04 0.00 0.00 63.50 63.24 2dir n PRO 29 Cb 0.54 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 2dir n PRO 29 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2dir s ASN 30 N -2.35 6.64 -0.09 3.54 0.01 -0.96 -5.06 114.94 116.67 2dir s ASN 30 Ca 0.18 1.70 -0.32 0.00 -0.71 0.00 0.00 52.86 53.70 2dir s ASN 30 Cb 0.10 -2.53 0.13 0.00 0.41 0.00 0.00 41.25 39.36 2dir s ASN 30 CO 0.21 -0.57 1.22 -1.59 -1.51 0.00 0.00 177.10 174.86 2dir s LYS 31 N -3.54 0.40 0.00 -0.60 -2.85 -1.25 -3.89 119.74 108.00 2dir s LYS 31 Ca 0.62 -0.19 0.00 0.00 -1.00 0.00 0.00 55.97 55.40 2dir s LYS 31 Cb -0.11 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.82 2dir s LYS 31 CO 0.22 -0.18 0.00 0.41 0.10 0.00 0.00 175.35 175.90 2dir n GLY 32 N -0.29 0.40 3.93 0.59 0.00 -1.26 -4.98 105.19 103.58 2dir n GLY 32 Ca -0.04 -1.54 -0.20 0.00 0.00 0.00 0.00 46.02 44.24 2dir n GLY 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dir s THR 33 N -3.18 2.71 0.20 2.61 -4.23 -1.26 -1.32 115.64 111.16 2dir s THR 33 Ca 0.00 -1.21 -0.23 0.00 -1.18 0.00 0.00 61.69 59.07 2dir s THR 33 Cb 0.00 -2.92 0.07 0.00 1.34 0.00 0.00 72.50 70.98 2dir s THR 33 CO 0.00 0.00 0.96 0.72 -0.54 0.00 0.00 174.62 175.76 2dir s PHE 34 N -2.45 -0.03 -0.16 3.99 -0.71 -1.23 -2.07 117.98 115.32 2dir s PHE 34 Ca 0.51 -0.36 -0.05 0.00 -1.04 0.00 0.00 56.93 55.99 2dir s PHE 34 Cb -0.06 0.69 0.06 0.00 -1.21 0.00 0.00 43.02 42.50 2dir s PHE 34 CO 0.30 -0.96 0.10 1.14 -1.34 0.00 0.00 175.22 174.46 2dir s GLN 35 N -2.78 0.05 0.17 1.99 -2.07 0.35 0.37 119.66 117.75 2dir s GLN 35 Ca 0.16 0.01 -0.24 0.00 -1.82 0.00 0.00 55.36 53.47 2dir s GLN 35 Cb -0.02 -1.59 -0.08 0.00 -1.09 0.00 0.00 33.01 30.22 2dir s GLN 35 CO 0.05 -0.62 0.76 0.42 -1.32 0.00 0.00 175.29 174.58 2dir s ILE 36 N 2.16 4.41 -0.08 3.63 1.01 -1.26 -2.03 121.20 129.04 2dir s ILE 36 Ca 0.03 1.63 -0.04 0.00 0.00 0.00 0.00 60.65 62.27 2dir s ILE 36 Cb -0.15 -4.09 0.04 0.00 0.01 0.00 0.00 42.46 38.27 2dir s ILE 36 CO -0.09 0.48 0.18 -0.69 0.00 0.00 0.00 174.94 174.83 2dir s VAL 37 N -1.20 -0.07 -0.61 2.92 1.01 -0.97 -4.98 120.40 116.50 2dir s VAL 37 Ca 0.36 0.19 -0.21 0.00 0.00 0.00 0.00 61.98 62.32 2dir s VAL 37 Cb -0.22 -0.29 0.08 0.00 0.00 0.00 0.00 36.38 35.94 2dir s VAL 37 CO 0.25 0.08 0.84 -0.47 0.00 0.00 0.00 175.10 175.80 2dir s TYR 38 N 1.32 2.83 -0.46 5.22 5.04 -1.26 -1.26 117.35 128.78 2dir s TYR 38 Ca -0.08 -0.63 -0.26 0.00 -2.44 0.00 0.00 57.07 53.66 2dir s TYR 38 Cb -0.11 -4.10 0.03 0.00 0.35 0.00 0.00 41.96 38.12 2dir s TYR 38 CO -0.07 -1.44 0.96 0.15 -1.34 0.00 0.00 175.55 173.80 2dir s LYS 39 N 3.46 3.59 -0.04 4.97 -0.14 -0.66 -4.96 119.74 125.96 2dir s LYS 39 Ca 0.19 0.26 -0.01 0.00 -1.36 0.00 0.00 55.97 55.04 2dir s LYS 39 Cb -0.19 -3.91 0.03 0.00 -1.68 0.00 0.00 37.83 32.08 2dir s LYS 39 CO 0.10 -1.22 0.09 -1.54 -0.76 0.00 0.00 175.35 172.02 2dir s SER 40 N 2.26 -0.02 0.02 2.83 1.04 -1.26 -3.01 113.70 115.56 2dir s SER 40 Ca 0.39 0.17 -0.05 0.00 0.48 0.00 0.00 55.95 56.94 2dir s SER 40 Cb -0.10 0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.07 2dir s SER 40 CO 0.26 -0.13 -0.10 -1.14 0.98 0.00 0.00 173.24 173.11 2dir n ARG 41 N 4.15 0.14 -3.52 4.02 3.00 -1.26 -4.94 116.66 118.25 2dir n ARG 41 Ca -0.27 0.06 -0.27 0.00 -0.00 0.00 0.00 57.85 57.37 2dir n ARG 41 Cb 0.51 -0.75 -0.10 0.00 0.00 0.00 0.00 32.46 32.12 2dir n ARG 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2dir n ASN 42 N -3.76 1.35 -3.45 6.15 4.13 -1.26 -5.05 115.26 113.37 2dir n ASN 42 Ca -0.04 -2.85 0.01 0.00 1.68 0.00 0.00 54.58 53.38 2dir n ASN 42 Cb 0.14 -0.65 -0.05 0.00 -1.54 0.00 0.00 39.78 37.68 2dir n ASN 42 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2dir s ASN 43 N -1.00 -0.41 -0.51 6.41 4.22 -1.26 -5.02 114.94 117.36 2dir s ASN 43 Ca 0.32 0.59 0.04 0.00 -2.14 0.00 0.00 52.86 51.66 2dir s ASN 43 Cb 0.05 1.37 0.16 0.00 1.28 0.00 0.00 41.25 44.11 2dir s ASN 43 CO -0.15 -0.09 0.35 -0.55 -2.04 0.00 0.00 177.10 174.62 2dir s SER 44 N 1.94 3.32 -0.02 3.54 0.15 -1.26 -4.93 113.70 116.44 2dir s SER 44 Ca -0.04 -3.13 -0.07 0.00 0.70 0.00 0.00 55.95 53.41 2dir s SER 44 Cb -0.04 -1.03 -0.02 0.00 -1.71 0.00 0.00 66.02 63.22 2dir s SER 44 CO -0.16 -0.18 -0.14 1.41 1.20 0.00 0.00 173.24 175.37 2dir n HIS 45 N 2.86 0.00 -4.86 3.44 8.25 -1.26 -5.06 115.22 118.59 2dir n HIS 45 Ca 0.18 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.38 2dir n HIS 45 Cb 0.39 -0.20 -0.15 0.00 1.12 0.00 0.00 29.99 31.15 2dir n HIS 45 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2dir s VAL 46 N -2.26 1.66 0.14 1.59 0.11 -1.26 -5.10 120.40 115.28 2dir s VAL 46 Ca -0.12 -1.02 -0.34 0.00 -2.93 0.00 0.00 61.98 57.57 2dir s VAL 46 Cb 0.02 -1.40 -0.14 0.00 -1.53 0.00 0.00 36.38 33.32 2dir s VAL 46 CO 0.17 0.36 1.58 -3.20 -3.33 0.00 0.00 175.10 170.68 2dir n ASN 47 N 2.27 3.02 -0.16 3.54 5.15 -1.26 -4.88 115.26 122.93 2dir n ASN 47 Ca -0.16 1.08 -0.03 0.00 -0.60 0.00 0.00 54.58 54.87 2dir n ASN 47 Cb 0.53 -1.41 0.06 0.00 -0.53 0.00 0.00 39.78 38.44 2dir n ASN 47 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 2dir h ARG 48 N 6.07 0.38 -0.94 1.20 0.11 -1.98 -2.25 114.38 116.96 2dir h ARG 48 Ca -0.45 -0.02 0.23 0.00 0.10 0.00 0.00 59.98 59.83 2dir h ARG 48 Cb 1.26 -0.08 -0.17 0.00 1.11 0.00 0.00 29.97 32.08 2dir h ARG 48 CO 0.89 0.25 -0.08 0.93 0.10 0.00 0.00 179.97 182.06 2dir h GLU 49 N 0.39 0.02 0.17 0.08 5.08 -1.98 0.15 114.58 118.49 2dir h GLU 49 Ca 0.24 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.61 2dir h GLU 49 Cb 0.23 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 2dir h GLU 49 CO -0.23 0.01 -0.35 0.93 -1.00 0.00 0.00 179.01 178.38 2dir h GLU 50 N 0.02 -0.59 0.47 2.33 4.39 -1.78 0.17 114.58 119.59 2dir h GLU 50 Ca 0.52 0.04 -0.02 0.00 0.34 0.00 0.00 59.36 60.24 2dir h GLU 50 Cb 0.95 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 2dir h GLU 50 CO -0.91 -0.39 -0.33 0.28 -1.16 0.00 0.00 179.01 176.50 2dir h VAL 51 N -0.61 0.00 -0.08 3.13 2.07 -0.82 0.36 116.25 120.30 2dir h VAL 51 Ca 0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.55 2dir h VAL 51 Cb 0.62 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2dir h VAL 51 CO -0.17 0.00 -0.19 0.40 0.02 0.00 0.00 177.57 177.63 2dir h ILE 52 N -0.75 0.00 -0.13 4.57 2.04 -0.96 0.30 117.51 122.57 2dir h ILE 52 Ca -0.06 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.81 2dir h ILE 52 Cb 0.62 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 2dir h ILE 52 CO 0.04 0.00 -0.18 0.03 0.00 0.00 0.00 178.15 178.04 2dir h ARG 53 N -0.18 -0.12 -0.44 2.37 2.47 -0.70 -2.09 114.38 115.70 2dir h ARG 53 Ca 0.02 0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.79 2dir h ARG 53 Cb 0.22 0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 28.50 2dir h ARG 53 CO -0.17 -0.08 -0.41 1.49 0.56 0.00 0.00 179.97 181.36 2dir h GLU 54 N -0.12 -0.19 -1.51 0.04 4.57 -0.78 0.45 114.58 117.03 2dir h GLU 54 Ca 0.02 0.01 0.49 0.00 -1.18 0.00 0.00 59.36 58.70 2dir h GLU 54 Cb 0.19 0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 28.71 2dir h GLU 54 CO -0.19 -0.12 1.02 1.28 -1.18 0.00 0.00 179.01 179.82 2dir n LEU 55 N -4.63 0.13 -0.03 1.64 4.77 0.10 0.12 117.00 119.10 2dir n LEU 55 Ca -0.01 1.18 -0.15 0.00 -0.03 0.00 0.00 56.01 57.00 2dir n LEU 55 Cb 0.23 -0.58 -0.12 0.00 -2.33 0.00 0.00 43.42 40.62 2dir n LEU 55 CO -0.03 -1.25 0.37 0.00 -1.33 0.00 0.00 177.39 175.14 2dir h ALA 56 N 1.31 0.02 -0.51 -1.18 0.00 0.54 -3.05 119.26 116.37 2dir h ALA 56 Ca 0.86 -0.49 0.15 0.00 0.00 0.00 0.00 54.91 55.43 2dir h ALA 56 Cb 3.01 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 20.80 2dir h ALA 56 CO -0.29 0.09 0.45 0.78 0.00 0.00 0.00 179.25 180.28 2dir h GLY 57 N -0.57 0.00 0.09 0.00 0.00 0.20 -2.14 103.07 100.65 2dir h GLY 57 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 2dir h GLY 57 CO 0.05 0.00 -0.02 -2.22 0.00 0.00 0.00 176.54 174.35 2dir h ILE 58 N 0.00 1.11 -0.95 2.60 2.04 -1.40 -3.22 117.51 117.70 2dir h ILE 58 Ca 0.24 -1.70 0.18 0.00 1.00 0.00 0.00 64.86 64.58 2dir h ILE 58 Cb 1.15 2.05 -0.17 0.00 -0.74 0.00 0.00 36.82 39.11 2dir h ILE 58 CO -0.00 0.36 -0.28 0.52 0.00 0.00 0.00 178.15 178.75 2dir n VAL 59 N -4.73 -0.43 -0.32 1.67 0.31 -0.82 0.15 118.33 114.17 2dir n VAL 59 Ca -0.07 2.18 -0.02 0.00 -0.01 0.00 0.00 64.34 66.43 2dir n VAL 59 Cb 0.30 -2.98 0.15 0.00 -0.91 0.00 0.00 33.84 30.40 2dir n VAL 59 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dir h THR 61 N 1.23 0.70 0.06 0.00 2.02 0.14 -2.94 112.91 114.13 2dir h THR 61 Ca 0.33 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.46 2dir h THR 61 Cb -0.10 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2dir h THR 61 CO -0.07 0.02 -0.03 -0.07 0.37 0.00 0.00 175.52 175.75 2dir h LEU 62 N 0.13 -0.07 -7.83 2.58 3.38 -0.95 -3.45 115.31 109.10 2dir h LEU 62 Ca 0.34 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.74 2dir h LEU 62 Cb 1.17 0.02 -0.36 0.00 0.09 0.00 0.00 40.66 41.57 2dir h LEU 62 CO -0.05 -0.01 -0.82 0.21 0.09 0.00 0.00 178.44 177.86 2dir s ASN 63 N -2.88 2.54 0.56 -0.43 3.84 -1.11 -4.69 114.94 112.78 2dir s ASN 63 Ca -0.01 -0.44 0.28 0.00 0.21 0.00 0.00 52.86 52.90 2dir s ASN 63 Cb 0.00 -1.07 1.47 0.00 -0.55 0.00 0.00 41.25 41.10 2dir s ASN 63 CO 0.04 -0.08 1.96 0.28 -2.79 0.00 0.00 177.10 176.51 2dir h SER 64 N 8.09 0.00 0.45 -4.21 0.02 -1.87 0.40 113.55 116.43 2dir h SER 64 Ca -0.35 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.57 2dir h SER 64 Cb 1.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 2dir h SER 64 CO 0.49 0.00 -0.14 -0.33 -1.14 0.00 0.00 176.83 175.71 2dir h GLU 65 N 0.00 0.00 -6.57 3.45 4.39 -1.94 -3.43 114.58 110.48 2dir h GLU 65 Ca 0.24 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.41 2dir h GLU 65 Cb 1.10 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.78 2dir h GLU 65 CO -0.00 0.14 0.77 -0.80 -1.16 0.00 0.00 179.01 177.96 2dir s ASN 66 N -6.18 6.75 -0.19 1.42 0.01 0.14 -4.31 114.94 112.57 2dir s ASN 66 Ca -0.02 2.42 -0.04 0.00 -0.71 0.00 0.00 52.86 54.50 2dir s ASN 66 Cb 0.13 -2.59 0.08 0.00 0.41 0.00 0.00 41.25 39.28 2dir s ASN 66 CO 0.60 -0.71 0.19 -0.54 -1.51 0.00 0.00 177.10 175.12 2dir s LYS 67 N 1.11 0.15 -0.02 -0.60 3.01 -0.44 -4.68 119.74 118.28 2dir s LYS 67 Ca 0.66 0.14 -0.30 0.00 -1.01 0.00 0.00 55.97 55.46 2dir s LYS 67 Cb -0.39 -1.35 -0.07 0.00 -1.01 0.00 0.00 37.83 35.01 2dir s LYS 67 CO 0.31 -0.65 1.84 0.54 0.51 0.00 0.00 175.35 177.90 2dir s VAL 68 N 2.28 3.27 0.09 3.17 0.11 -1.26 -3.55 120.40 124.50 2dir s VAL 68 Ca 0.05 0.32 0.09 0.00 -2.93 0.00 0.00 61.98 59.52 2dir s VAL 68 Cb -0.16 -3.22 -0.03 0.00 -1.53 0.00 0.00 36.38 31.44 2dir s VAL 68 CO -0.11 -0.04 -0.25 -0.62 -3.33 0.00 0.00 175.10 170.75 2dir s ASP 69 N 4.21 3.00 0.00 3.54 2.15 0.16 -4.83 116.67 124.89 2dir s ASP 69 Ca 0.82 -0.65 0.08 0.00 0.43 0.00 0.00 52.55 53.23 2dir s ASP 69 Cb -0.38 -0.22 0.13 0.00 -0.30 0.00 0.00 42.92 42.15 2dir s ASP 69 CO 0.36 0.18 0.94 0.18 -0.17 0.00 0.00 175.17 176.66 2dir n LEU 70 N 1.36 2.10 -0.05 -1.34 4.77 -1.26 -3.85 117.00 118.74 2dir n LEU 70 Ca -0.18 -1.44 -0.08 0.00 -0.03 0.00 0.00 56.01 54.29 2dir n LEU 70 Cb 0.53 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 2dir n LEU 70 CO 0.23 0.48 -0.81 0.41 -1.33 0.00 0.00 177.39 176.37 2dir n THR 71 N 0.35 0.52 -2.73 -5.08 -1.04 -1.26 -4.82 114.28 100.21 2dir n THR 71 Ca 0.06 -0.18 -0.17 0.00 -2.04 0.00 0.00 64.05 61.72 2dir n THR 71 Cb 0.28 -1.09 0.00 0.00 -1.82 0.00 0.00 70.33 67.71 2dir n THR 71 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2dir n ASN 72 N -2.98 2.56 -4.77 8.00 2.85 -1.26 -5.10 115.26 114.55 2dir n ASN 72 Ca -0.17 -3.14 -0.39 0.00 -0.11 0.00 0.00 54.58 50.77 2dir n ASN 72 Cb 0.66 -0.53 -0.02 0.00 1.24 0.00 0.00 39.78 41.13 2dir n ASN 72 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2dir s PRO 73 N -3.15 4.17 -0.20 1.20 0.04 -1.26 -4.84 135.00 130.96 2dir s PRO 73 Ca 0.37 1.94 0.15 0.00 0.04 0.00 0.00 61.00 63.51 2dir s PRO 73 Cb 0.41 -2.82 -0.24 0.00 0.04 0.00 0.00 34.50 31.89 2dir s PRO 73 CO -0.06 -0.25 0.07 1.04 0.04 0.00 0.00 177.00 177.84 2dir n GLN 74 N 0.35 0.68 -4.44 4.56 6.02 -1.10 -4.75 117.38 118.71 2dir n GLN 74 Ca 0.03 0.03 -0.24 0.00 -0.01 0.00 0.00 57.00 56.80 2dir n GLN 74 Cb 0.45 -1.54 -0.17 0.00 1.02 0.00 0.00 30.24 30.01 2dir n GLN 74 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2dir s TYR 75 N -2.50 1.39 -0.43 1.08 2.02 -0.88 -2.33 117.35 115.70 2dir s TYR 75 Ca -0.13 -0.54 -0.15 0.00 -0.37 0.00 0.00 57.07 55.89 2dir s TYR 75 Cb 0.06 -1.05 0.04 0.00 -0.40 0.00 0.00 41.96 40.61 2dir s TYR 75 CO 0.80 -0.31 0.33 0.99 -1.57 0.00 0.00 175.55 175.79 2dir s THR 76 N 0.85 5.16 -0.50 -0.71 2.01 0.22 -0.50 115.64 122.18 2dir s THR 76 Ca -0.11 -0.85 -0.13 0.00 0.31 0.00 0.00 61.69 60.91 2dir s THR 76 Cb -0.15 -3.96 0.12 0.00 0.01 0.00 0.00 72.50 68.52 2dir s THR 76 CO 0.01 -0.41 0.41 0.68 -0.69 0.00 0.00 174.62 174.63 2dir s VAL 77 N 1.65 4.71 0.06 3.82 -7.23 -0.86 -2.01 120.40 120.53 2dir s VAL 77 Ca 0.04 -1.60 0.01 0.00 -1.81 0.00 0.00 61.98 58.63 2dir s VAL 77 Cb -0.21 -4.03 -0.04 0.00 0.56 0.00 0.00 36.38 32.66 2dir s VAL 77 CO 0.08 -0.79 0.14 0.68 -0.31 0.00 0.00 175.10 174.90 2dir s VAL 78 N 1.49 4.96 -0.31 1.32 -7.23 -0.77 -2.28 120.40 117.57 2dir s VAL 78 Ca 0.04 -0.56 0.02 0.00 -1.81 0.00 0.00 61.98 59.68 2dir s VAL 78 Cb -0.28 -3.39 0.09 0.00 0.56 0.00 0.00 36.38 33.36 2dir s VAL 78 CO 0.01 0.15 0.04 0.68 -0.31 0.00 0.00 175.10 175.68 2dir s VAL 79 N -1.43 1.74 0.22 1.32 -7.23 -0.39 -1.22 120.40 113.42 2dir s VAL 79 Ca 0.31 -1.87 -0.07 0.00 -1.81 0.00 0.00 61.98 58.55 2dir s VAL 79 Cb -0.13 -2.23 -0.06 0.00 0.56 0.00 0.00 36.38 34.52 2dir s VAL 79 CO 0.24 -0.53 0.50 -0.70 -0.31 0.00 0.00 175.10 174.30 2dir s GLU 80 N 1.20 3.69 -0.47 4.82 2.12 0.43 -1.65 118.70 128.83 2dir s GLU 80 Ca 0.07 0.07 0.01 0.00 0.36 0.00 0.00 54.97 55.48 2dir s GLU 80 Cb -0.18 -2.71 0.13 0.00 0.26 0.00 0.00 34.13 31.62 2dir s GLU 80 CO -0.13 0.33 0.24 0.42 -0.54 0.00 0.00 175.26 175.58 2dir s ILE 81 N -1.86 2.93 -0.45 -3.70 -1.09 -1.16 -1.21 121.20 114.66 2dir s ILE 81 Ca 0.44 -2.71 -0.06 0.00 -2.23 0.00 0.00 60.65 56.10 2dir s ILE 81 Cb -0.11 -3.02 0.12 0.00 -1.58 0.00 0.00 42.46 37.87 2dir s ILE 81 CO 0.25 -0.74 0.28 -0.63 -1.23 0.00 0.00 174.94 172.87 2dir s ILE 82 N 0.39 3.74 -0.61 2.92 1.09 -1.19 -4.59 121.20 122.94 2dir s ILE 82 Ca 0.13 -1.96 -0.03 0.00 -1.10 0.00 0.00 60.65 57.70 2dir s ILE 82 Cb -0.22 -3.51 0.00 0.00 -1.06 0.00 0.00 42.46 37.67 2dir s ILE 82 CO -0.04 -0.74 0.53 0.29 -0.10 0.00 0.00 174.94 174.88 2dir n LYS 83 N 4.71 -3.55 -3.15 2.79 4.76 -1.26 -3.25 118.16 119.20 2dir n LYS 83 Ca -0.05 0.38 -0.18 0.00 -2.87 0.00 0.00 58.31 55.60 2dir n LYS 83 Cb 0.41 -4.06 0.05 0.00 -1.84 0.00 0.00 35.03 29.59 2dir n LYS 83 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dir n ALA 84 N -3.41 -0.91 -2.46 7.82 0.00 -1.26 -5.02 120.51 115.27 2dir n ALA 84 Ca -0.02 0.28 -0.27 0.00 0.00 0.00 0.00 53.44 53.43 2dir n ALA 84 Cb 0.54 -3.91 -0.13 0.00 0.00 0.00 0.00 19.45 15.94 2dir n ALA 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dir s VAL 85 N -3.16 1.94 -0.53 0.00 0.11 -1.20 -5.10 120.40 112.45 2dir s VAL 85 Ca 0.37 -1.55 -0.20 0.00 -2.93 0.00 0.00 61.98 57.67 2dir s VAL 85 Cb -0.16 -1.72 0.06 0.00 -1.53 0.00 0.00 36.38 33.03 2dir s VAL 85 CO 0.46 0.08 0.70 0.00 -3.33 0.00 0.00 175.10 173.01 2dir s LEU 88 N 1.49 4.14 -0.18 0.00 1.02 -1.26 -0.43 118.68 123.45 2dir s LEU 88 Ca 0.03 0.30 0.00 0.00 0.02 0.00 0.00 54.13 54.48 2dir s LEU 88 Cb -0.23 -2.29 0.02 0.00 0.02 0.00 0.00 46.19 43.71 2dir s LEU 88 CO 0.04 0.01 -0.18 -0.55 0.02 0.00 0.00 176.35 175.69 2dir s SER 89 N 1.02 3.32 -0.27 2.29 0.15 -0.36 -4.96 113.70 114.89 2dir s SER 89 Ca 0.13 -0.61 -0.07 0.00 0.70 0.00 0.00 55.95 56.10 2dir s SER 89 Cb -0.14 -1.52 -0.01 0.00 -1.71 0.00 0.00 66.02 62.64 2dir s SER 89 CO 0.06 0.00 0.07 -0.69 1.20 0.00 0.00 173.24 173.88 2dir s VAL 90 N 1.30 4.09 -0.07 4.45 1.01 -1.25 -1.84 120.40 128.08 2dir s VAL 90 Ca 0.05 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.60 2dir s VAL 90 Cb -0.13 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.23 2dir s VAL 90 CO -0.11 0.20 -0.23 -0.69 0.00 0.00 0.00 175.10 174.27 2dir s VAL 91 N 1.55 1.91 -0.38 2.92 1.01 -0.85 -4.93 120.40 121.63 2dir s VAL 91 Ca 0.04 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 2dir s VAL 91 Cb -0.16 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.58 2dir s VAL 91 CO 0.03 0.53 0.36 -0.75 0.00 0.00 0.00 175.10 175.27 2dir s LYS 92 N 0.13 3.31 0.20 2.72 2.20 -1.26 -0.61 119.74 126.44 2dir s LYS 92 Ca -0.11 -0.65 0.11 0.00 -0.36 0.00 0.00 55.97 54.96 2dir s LYS 92 Cb -0.15 -3.88 -0.04 0.00 -1.51 0.00 0.00 37.83 32.24 2dir s LYS 92 CO 0.06 -0.66 -0.23 0.45 -0.36 0.00 0.00 175.35 174.61 2dir s SER 93 N 1.75 3.36 0.63 1.43 0.15 -0.98 -5.04 113.70 115.00 2dir s SER 93 Ca 0.10 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 55.87 2dir s SER 93 Cb -0.17 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 2dir s SER 93 CO 0.12 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.26 2dir n GLY 94 N 0.17 -3.34 3.64 9.45 0.00 -1.26 -4.55 105.19 109.31 2dir n GLY 94 Ca -0.12 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 2dir n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dir s PRO 95 N -4.29 -0.26 -0.99 1.61 0.04 -1.26 -4.97 135.00 124.87 2dir s PRO 95 Ca 0.00 0.28 -0.14 0.00 0.04 0.00 0.00 61.00 61.18 2dir s PRO 95 Cb 0.00 -1.68 0.21 0.00 0.04 0.00 0.00 34.50 33.07 2dir s PRO 95 CO 0.00 -3.14 1.06 -1.12 0.04 0.00 0.00 177.00 173.83 2dir s SER 96 N -3.61 6.94 0.07 6.66 0.01 -1.26 -4.94 113.70 117.57 2dir s SER 96 Ca 0.68 -2.85 0.01 0.00 1.31 0.00 0.00 55.95 55.09 2dir s SER 96 Cb -0.15 -2.28 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 2dir s SER 96 CO 0.57 -0.63 -0.06 -0.94 0.41 0.00 0.00 173.24 172.59 2dir s SER 97 N 2.37 0.86 0.00 2.44 1.04 -1.26 -5.23 113.70 113.92 2dir s SER 97 Ca 0.29 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2dir s SER 97 Cb -0.08 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.15 2dir s SER 97 CO -0.07 -0.42 0.39 0.61 0.98 0.00 0.00 173.24 174.73