#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dai n SER 2 N 0.00 0.00 -3.74 1.61 3.41 -1.26 -5.19 113.62 108.46 2dai n SER 2 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 2dai n SER 2 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2dai n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dai s SER 3 N 0.00 -0.17 0.00 4.04 0.01 -1.26 -5.19 113.70 111.13 2dai s SER 3 Ca 0.00 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.89 2dai s SER 3 Cb 0.00 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.69 2dai s SER 3 CO 0.00 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.42 2dai n GLY 4 N -0.47 -1.31 3.37 3.44 0.00 -1.26 -5.18 105.19 103.79 2dai n GLY 4 Ca -0.06 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.94 2dai n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dai s SER 5 N -3.50 0.02 0.19 1.61 1.04 -1.26 -5.18 113.70 106.62 2dai s SER 5 Ca 0.00 -0.92 -0.24 0.00 0.48 0.00 0.00 55.95 55.27 2dai s SER 5 Cb 0.00 0.46 0.05 0.00 0.10 0.00 0.00 66.02 66.63 2dai s SER 5 CO 0.00 -0.94 0.86 -0.55 0.98 0.00 0.00 173.24 173.59 2dai s SER 6 N -2.99 -0.23 0.00 7.02 0.15 -1.26 -5.17 113.70 111.22 2dai s SER 6 Ca 0.20 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.41 2dai s SER 6 Cb 0.03 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 2dai s SER 6 CO 0.03 -1.05 0.00 0.61 1.20 0.00 0.00 173.24 174.03 2dai n GLY 7 N -0.45 -0.17 3.53 9.45 0.00 -1.26 -5.12 105.19 111.17 2dai n GLY 7 Ca -0.06 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 2dai n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dai s ASP 8 N -1.24 -0.42 0.07 1.61 2.15 -1.26 -5.19 116.67 112.40 2dai s ASP 8 Ca 0.00 -0.10 -0.27 0.00 0.43 0.00 0.00 52.55 52.60 2dai s ASP 8 Cb 0.00 0.52 0.09 0.00 -0.30 0.00 0.00 42.92 43.23 2dai s ASP 8 CO 0.00 -0.86 1.13 0.00 -0.17 0.00 0.00 175.17 175.26 2dai s ALA 9 N -3.47 -1.94 -0.28 3.66 0.00 -1.26 -5.18 121.76 113.29 2dai s ALA 9 Ca 0.05 0.34 -0.25 0.00 0.00 0.00 0.00 51.96 52.11 2dai s ALA 9 Cb -0.02 0.53 0.10 0.00 0.00 0.00 0.00 23.12 23.73 2dai s ALA 9 CO -0.08 -1.06 0.87 0.54 0.00 0.00 0.00 175.76 176.03 2dai s VAL 10 N -2.77 0.00 0.36 0.00 0.11 -1.26 -5.17 120.40 111.67 2dai s VAL 10 Ca 0.14 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.22 2dai s VAL 10 Cb 0.01 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.85 2dai s VAL 10 CO -0.00 0.00 0.54 -1.83 -3.33 0.00 0.00 175.10 170.48 2dai s GLU 11 N 0.36 3.22 1.13 1.54 -1.05 -1.26 -5.10 118.70 117.54 2dai s GLU 11 Ca 0.01 -0.66 -0.17 0.00 -0.15 0.00 0.00 54.97 54.00 2dai s GLU 11 Cb -0.05 -2.71 0.25 0.00 -0.44 0.00 0.00 34.13 31.18 2dai s GLU 11 CO -0.03 0.02 1.11 -0.51 0.95 0.00 0.00 175.26 176.79 2dai s LEU 12 N -4.31 1.02 0.40 1.83 1.43 -1.26 -5.07 118.68 112.73 2dai s LEU 12 Ca 0.44 0.82 0.08 0.00 -1.03 0.00 0.00 54.13 54.43 2dai s LEU 12 Cb -0.10 -2.71 -0.02 0.00 0.03 0.00 0.00 46.19 43.39 2dai s LEU 12 CO 0.34 -3.77 0.35 0.72 0.23 0.00 0.00 176.35 174.22 2dai s PHE 13 N -3.01 2.74 0.23 0.29 -0.12 -1.26 -5.14 117.98 111.72 2dai s PHE 13 Ca 0.69 -0.46 0.01 0.00 -0.05 0.00 0.00 56.93 57.12 2dai s PHE 13 Cb -0.13 -2.08 -0.04 0.00 -0.63 0.00 0.00 43.02 40.14 2dai s PHE 13 CO 0.57 -0.04 0.15 -1.59 -0.05 0.00 0.00 175.22 174.26 2dai s LYS 14 N -4.09 1.33 0.49 1.99 0.00 -1.26 -5.11 119.74 113.10 2dai s LYS 14 Ca 0.46 -1.72 0.00 0.00 0.00 0.00 0.00 55.97 54.71 2dai s LYS 14 Cb -0.03 0.21 0.00 0.00 0.00 0.00 0.00 37.83 38.00 2dai s LYS 14 CO 0.27 -0.43 0.00 1.63 0.00 0.00 0.00 175.35 176.83 2dai n LYS 15 N -0.36 -3.28 0.14 1.78 4.01 -1.26 -5.05 118.16 114.14 2dai n LYS 15 Ca 0.03 2.57 0.00 0.00 -0.51 0.00 0.00 58.31 60.39 2dai n LYS 15 Cb 0.65 -3.27 0.00 0.00 -0.51 0.00 0.00 35.03 31.91 2dai n LYS 15 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2dai n ALA 16 N -2.63 2.29 -3.56 7.82 0.00 -1.26 -5.16 120.51 118.00 2dai n ALA 16 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.37 2dai n ALA 16 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 2dai n ALA 16 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2dai s ASN 17 N -4.07 -0.24 0.49 0.00 3.84 -1.26 -5.18 114.94 108.52 2dai s ASN 17 Ca 0.00 -0.02 0.07 0.00 0.21 0.00 0.00 52.86 53.12 2dai s ASN 17 Cb 0.00 0.27 0.04 0.00 -0.55 0.00 0.00 41.25 41.00 2dai s ASN 17 CO 0.00 -0.43 0.67 0.00 -2.79 0.00 0.00 177.10 174.55 2dai s ALA 18 N -2.77 4.47 -0.21 1.71 0.00 -1.26 -5.12 121.76 118.58 2dai s ALA 18 Ca 0.08 -1.77 -0.36 0.00 0.00 0.00 0.00 51.96 49.91 2dai s ALA 18 Cb -0.01 -1.65 0.15 0.00 0.00 0.00 0.00 23.12 21.61 2dai s ALA 18 CO -0.06 -0.55 1.38 0.00 0.00 0.00 0.00 175.76 176.53 2dai s MET 19 N -4.52 0.07 0.00 0.00 0.23 -1.26 -5.16 119.30 108.66 2dai s MET 19 Ca 0.58 -0.03 0.00 0.00 -1.03 0.00 0.00 55.69 55.21 2dai s MET 19 Cb -0.09 0.03 0.00 0.00 -1.53 0.00 0.00 34.83 33.24 2dai s MET 19 CO 0.36 -0.03 0.00 1.28 -2.03 0.00 0.00 175.02 174.60 2dai n LEU 20 N -0.18 0.00 0.00 0.18 4.32 -1.26 -5.19 117.00 114.88 2dai n LEU 20 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2dai n LEU 20 Cb 0.59 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 2dai n LEU 20 CO 0.09 0.00 0.00 -0.90 -1.22 0.00 0.00 177.39 175.36 2dai n ASP 21 N 0.00 0.00 -3.74 -1.43 5.68 -1.26 -5.09 116.55 110.72 2dai n ASP 21 Ca 0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 54.79 54.01 2dai n ASP 21 Cb 0.00 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 39.86 2dai n ASP 21 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2dai s GLU 22 N -2.00 1.82 0.08 0.11 2.02 -1.26 -5.08 118.70 114.39 2dai s GLU 22 Ca 0.00 -2.74 -0.04 0.00 0.02 0.00 0.00 54.97 52.20 2dai s GLU 22 Cb 0.00 -2.70 -0.02 0.00 0.10 0.00 0.00 34.13 31.51 2dai s GLU 22 CO 0.00 -1.28 0.08 0.34 0.02 0.00 0.00 175.26 174.42 2dai s ASP 23 N -0.67 0.31 0.86 -0.19 2.15 -1.26 -5.15 116.67 112.73 2dai s ASP 23 Ca 0.25 -0.89 -0.13 0.00 0.43 0.00 0.00 52.55 52.21 2dai s ASP 23 Cb -0.07 0.28 0.05 0.00 -0.30 0.00 0.00 42.92 42.88 2dai s ASP 23 CO -0.13 -0.68 0.75 1.21 -0.17 0.00 0.00 175.17 176.15 2dai n GLU 24 N 0.00 -0.08 -3.59 4.34 2.13 -1.26 -4.97 120.64 117.22 2dai n GLU 24 Ca -0.13 0.04 -0.36 0.00 0.66 0.00 0.00 57.16 57.36 2dai n GLU 24 Cb 0.62 -2.08 -0.07 0.00 0.27 0.00 0.00 31.44 30.18 2dai n GLU 24 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2dai s ASP 25 N -2.03 6.41 -0.15 4.31 1.11 -1.26 -5.06 116.67 119.99 2dai s ASP 25 Ca 0.64 0.48 -0.03 0.00 0.18 0.00 0.00 52.55 53.83 2dai s ASP 25 Cb -0.26 -2.16 0.05 0.00 1.07 0.00 0.00 42.92 41.61 2dai s ASP 25 CO 0.60 0.14 0.03 -0.70 1.18 0.00 0.00 175.17 176.42 2dai s GLU 26 N 0.28 0.59 0.55 8.23 2.12 -1.26 -5.09 118.70 124.12 2dai s GLU 26 Ca 0.15 -0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.25 2dai s GLU 26 Cb -0.13 -1.74 0.00 0.00 0.26 0.00 0.00 34.13 32.52 2dai s GLU 26 CO 0.03 -0.54 0.00 -2.13 -0.54 0.00 0.00 175.26 172.08 2dai n ARG 27 N 5.10 -3.21 -1.38 4.30 0.63 -1.26 -4.86 116.66 115.98 2dai n ARG 27 Ca -0.08 2.51 -0.29 0.00 -0.92 0.00 0.00 57.85 59.07 2dai n ARG 27 Cb 0.48 -3.81 0.14 0.00 0.45 0.00 0.00 32.46 29.72 2dai n ARG 27 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2dai s VAL 28 N -3.80 2.32 0.01 5.15 1.01 -1.26 -5.01 120.40 118.83 2dai s VAL 28 Ca 0.00 0.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.86 2dai s VAL 28 Cb 0.00 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 2dai s VAL 28 CO 0.00 -0.14 0.67 -0.62 0.00 0.00 0.00 175.10 175.01 2dai s ASP 29 N -3.75 7.06 -0.02 3.32 2.15 -1.26 -4.96 116.67 119.21 2dai s ASP 29 Ca 0.64 1.27 -0.02 0.00 0.43 0.00 0.00 52.55 54.86 2dai s ASP 29 Cb -0.16 -2.41 -0.27 0.00 -0.30 0.00 0.00 42.92 39.78 2dai s ASP 29 CO 0.55 0.05 0.77 1.05 -0.17 0.00 0.00 175.17 177.43 2dai h GLU 30 N 5.73 0.23 -0.24 4.34 4.11 -1.98 -2.77 114.58 124.00 2dai h GLU 30 Ca -0.44 -0.39 0.04 0.00 0.07 0.00 0.00 59.36 58.63 2dai h GLU 30 Cb 1.20 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.56 2dai h GLU 30 CO 0.71 1.07 0.00 0.00 0.07 0.00 0.00 179.01 180.86 2dai h ALA 31 N 0.48 0.22 0.29 1.06 0.00 -1.99 0.20 119.26 119.51 2dai h ALA 31 Ca -0.27 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2dai h ALA 31 Cb 2.02 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.92 2dai h ALA 31 CO 0.14 -0.42 -0.14 0.00 0.00 0.00 0.00 179.25 178.84 2dai h ALA 32 N 1.21 -0.39 -0.81 0.00 0.00 -1.94 -2.62 119.26 114.71 2dai h ALA 32 Ca 0.12 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.98 2dai h ALA 32 Cb 0.15 0.15 -0.14 0.00 0.00 0.00 0.00 17.79 17.94 2dai h ALA 32 CO -0.19 -0.54 -0.36 1.25 0.00 0.00 0.00 179.25 179.40 2dai h LEU 33 N -0.73 -1.29 -0.53 0.00 5.85 -1.24 0.53 115.31 117.91 2dai h LEU 33 Ca -0.04 0.27 0.10 0.00 0.84 0.00 0.00 57.88 59.06 2dai h LEU 33 Cb 0.49 0.67 -0.09 0.00 0.37 0.00 0.00 40.66 42.10 2dai h LEU 33 CO 0.06 -0.30 -0.02 0.03 -0.34 0.00 0.00 178.44 177.88 2dai h ARG 34 N -0.07 0.10 -0.51 1.25 -0.00 -0.58 0.29 114.38 114.86 2dai h ARG 34 Ca 0.30 -0.01 0.10 0.00 -0.50 0.00 0.00 59.98 59.87 2dai h ARG 34 Cb 0.58 -0.02 -0.10 0.00 0.00 0.00 0.00 29.97 30.43 2dai h ARG 34 CO -0.85 0.06 -0.18 1.96 0.00 0.00 0.00 179.97 180.97 2dai h GLN 35 N 0.10 -0.06 0.35 0.04 4.20 0.42 1.45 115.11 121.62 2dai h GLN 35 Ca 0.27 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.96 2dai h GLN 35 Cb 0.41 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2dai h GLN 35 CO -0.46 -0.04 -0.17 -0.07 -0.67 0.00 0.00 178.83 177.42 2dai h LEU 36 N -0.06 -0.40 -1.60 1.46 3.38 -0.11 -1.38 115.31 116.59 2dai h LEU 36 Ca 0.24 0.01 0.39 0.00 0.09 0.00 0.00 57.88 58.61 2dai h LEU 36 Cb 0.43 0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.19 2dai h LEU 36 CO -0.55 -0.24 0.88 0.71 0.09 0.00 0.00 178.44 179.33 2dai h THR 37 N -0.58 0.28 -0.42 0.22 1.35 -0.20 1.49 112.91 115.04 2dai h THR 37 Ca -0.05 -0.05 -0.13 0.00 -0.55 0.00 0.00 66.41 65.64 2dai h THR 37 Cb 0.36 0.13 -0.01 0.00 -1.73 0.00 0.00 68.15 66.90 2dai h THR 37 CO 0.08 0.03 -0.24 -0.33 -0.25 0.00 0.00 175.52 174.80 2dai h GLU 38 N 0.14 0.87 0.59 4.72 4.39 0.22 -3.29 114.58 122.22 2dai h GLU 38 Ca 0.72 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 60.02 2dai h GLU 38 Cb 2.38 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 31.00 2dai h GLU 38 CO -0.25 1.02 -0.28 0.52 -1.16 0.00 0.00 179.01 178.86 2dai h MET 39 N 0.75 -0.76 0.00 2.33 2.86 0.32 -3.47 114.93 116.96 2dai h MET 39 Ca 0.10 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2dai h MET 39 Cb 0.79 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.62 2dai h MET 39 CO 0.07 -0.51 0.00 0.41 1.06 0.00 0.00 176.91 177.94 2dai n GLY 40 N -0.73 -1.33 3.03 8.32 0.00 -0.65 -5.11 105.19 108.72 2dai n GLY 40 Ca -0.10 0.41 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 2dai n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dai s PHE 41 N 0.00 0.26 0.39 1.61 0.08 -1.23 -5.01 117.98 114.07 2dai s PHE 41 Ca 0.00 -0.54 -0.25 0.00 0.12 0.00 0.00 56.93 56.26 2dai s PHE 41 Cb 0.00 -0.19 -0.09 0.00 -0.57 0.00 0.00 43.02 42.17 2dai s PHE 41 CO 0.00 -0.25 1.06 -1.25 -0.10 0.00 0.00 175.22 174.67 2dai s PRO 42 N -1.93 4.21 0.08 0.24 0.04 -1.26 -4.10 135.00 132.29 2dai s PRO 42 Ca -0.11 1.55 -0.34 0.00 0.04 0.00 0.00 61.00 62.13 2dai s PRO 42 Cb -0.06 -2.62 -0.17 0.00 0.04 0.00 0.00 34.50 31.70 2dai s PRO 42 CO -0.02 -0.11 1.59 1.49 0.04 0.00 0.00 177.00 179.99 2dai h GLU 43 N 2.65 -0.94 -0.97 4.56 4.81 -1.97 0.56 114.58 123.27 2dai h GLU 43 Ca -0.48 0.06 0.25 0.00 -0.13 0.00 0.00 59.36 59.07 2dai h GLU 43 Cb 1.22 0.21 -0.18 0.00 0.63 0.00 0.00 28.75 30.63 2dai h GLU 43 CO 0.63 -0.63 -0.01 -2.95 -0.73 0.00 0.00 179.01 175.31 2dai h ASN 44 N -0.98 -0.54 0.08 1.04 -1.07 -1.98 1.50 115.58 113.64 2dai h ASN 44 Ca -0.07 0.28 -0.00 0.00 0.07 0.00 0.00 56.30 56.58 2dai h ASN 44 Cb 0.83 0.50 0.00 0.00 -2.07 0.00 0.00 38.32 37.57 2dai h ASN 44 CO 0.01 -0.34 -0.04 0.03 0.07 0.00 0.00 177.43 177.16 2dai h ARG 45 N 0.01 -0.10 -0.98 4.14 3.08 -1.80 -0.26 114.38 118.47 2dai h ARG 45 Ca 0.57 0.01 0.22 0.00 0.07 0.00 0.00 59.98 60.85 2dai h ARG 45 Cb 1.12 0.02 -0.19 0.00 0.08 0.00 0.00 29.97 31.01 2dai h ARG 45 CO -0.92 -0.07 -0.16 0.00 -1.07 0.00 0.00 179.97 177.75 2dai n ALA 46 N -2.11 0.32 0.34 0.04 0.00 0.19 0.19 120.51 119.48 2dai n ALA 46 Ca -0.01 1.07 -0.15 0.00 0.00 0.00 0.00 53.44 54.35 2dai n ALA 46 Cb 0.04 -0.69 -0.07 0.00 0.00 0.00 0.00 19.45 18.73 2dai n ALA 46 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2dai h THR 47 N 0.00 0.00 0.01 0.00 2.02 0.20 0.67 112.91 115.81 2dai h THR 47 Ca 0.51 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.72 2dai h THR 47 Cb 0.89 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 2dai h THR 47 CO -0.98 0.00 -0.41 0.50 0.37 0.00 0.00 175.52 175.00 2dai h LYS 48 N -0.92 -0.55 -0.23 6.66 3.64 0.11 -0.81 116.57 124.47 2dai h LYS 48 Ca -0.09 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 2dai h LYS 48 Cb 0.72 0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.59 2dai h LYS 48 CO 0.11 -0.37 -0.46 0.00 -2.27 0.00 0.00 179.45 176.46 2dai h ALA 49 N -0.02 -0.64 -0.92 5.00 0.00 0.20 -1.07 119.26 121.82 2dai h ALA 49 Ca 0.05 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.06 2dai h ALA 49 Cb 0.65 0.90 -0.13 0.00 0.00 0.00 0.00 17.79 19.21 2dai h ALA 49 CO -0.30 -0.96 -0.53 -0.07 0.00 0.00 0.00 179.25 177.39 2dai h LEU 50 N -0.46 -1.92 -1.08 0.00 3.38 0.98 1.89 115.31 118.10 2dai h LEU 50 Ca 0.08 0.31 0.27 0.00 0.09 0.00 0.00 57.88 58.64 2dai h LEU 50 Cb 0.63 0.88 -0.12 0.00 0.09 0.00 0.00 40.66 42.13 2dai h LEU 50 CO -0.47 -0.27 0.61 1.56 0.09 0.00 0.00 178.44 179.97 2dai h GLN 51 N -0.05 0.47 0.00 1.13 4.20 0.04 1.85 115.11 122.75 2dai h GLN 51 Ca 0.20 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.77 2dai h GLN 51 Cb 0.48 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 2dai h GLN 51 CO -0.91 0.31 -0.54 -0.07 -0.67 0.00 0.00 178.83 176.95 2dai h LEU 52 N 0.48 0.00 -3.96 1.46 3.38 0.30 -3.18 115.31 113.80 2dai h LEU 52 Ca 0.66 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 58.00 2dai h LEU 52 Cb 1.41 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.86 2dai h LEU 52 CO -0.47 0.54 0.65 0.59 0.09 0.00 0.00 178.44 179.84 2dai n ASN 53 N -3.27 6.75 -4.21 -0.43 5.03 0.52 -4.87 115.26 114.78 2dai n ASN 53 Ca 0.02 -3.76 -0.38 0.00 0.87 0.00 0.00 54.58 51.32 2dai n ASN 53 Cb 0.73 -0.89 -0.07 0.00 -1.02 0.00 0.00 39.78 38.54 2dai n ASN 53 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 2dai n HIS 54 N -0.94 -1.08 -3.40 3.10 -0.00 0.32 0.59 115.22 113.81 2dai n HIS 54 Ca 0.60 0.61 -0.21 0.00 0.46 0.00 0.00 57.72 59.18 2dai n HIS 54 Cb 0.84 -1.67 0.06 0.00 -0.12 0.00 0.00 29.99 29.10 2dai n HIS 54 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 2dai n MET 55 N -3.69 -1.88 -4.59 1.57 2.81 0.51 -4.96 117.12 106.89 2dai n MET 55 Ca 0.11 0.72 -0.34 0.00 -1.81 0.00 0.00 57.70 56.38 2dai n MET 55 Cb 0.41 -5.23 -0.11 0.00 -0.71 0.00 0.00 33.22 27.58 2dai n MET 55 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2dai s SER 56 N -3.41 4.66 -0.03 7.83 0.01 0.20 -4.97 113.70 117.98 2dai s SER 56 Ca 0.47 -0.05 -0.22 0.00 1.31 0.00 0.00 55.95 57.45 2dai s SER 56 Cb -0.10 -1.31 -0.24 0.00 0.21 0.00 0.00 66.02 64.57 2dai s SER 56 CO 0.78 0.32 1.03 0.58 0.41 0.00 0.00 173.24 176.37 2dai h VAL 57 N 4.47 1.50 0.16 3.43 2.07 -1.89 -2.82 116.25 123.17 2dai h VAL 57 Ca -0.44 -2.07 -0.01 0.00 0.82 0.00 0.00 66.70 65.00 2dai h VAL 57 Cb 1.18 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.71 2dai h VAL 57 CO 0.54 0.58 -0.08 1.55 0.02 0.00 0.00 177.57 180.19 2dai h PRO 58 N -0.35 -0.20 -0.77 1.57 0.13 -1.97 -3.20 132.00 127.21 2dai h PRO 58 Ca -0.06 0.01 0.10 0.00 -0.87 0.00 0.00 66.00 65.19 2dai h PRO 58 Cb 1.19 0.05 -0.12 0.00 0.13 0.00 0.00 31.00 32.24 2dai h PRO 58 CO 0.08 -0.14 -0.46 1.96 -0.23 0.00 0.00 178.00 179.22 2dai h GLN 59 N -0.67 -0.12 -0.99 0.86 1.08 -1.93 0.22 115.11 113.57 2dai h GLN 59 Ca -0.02 0.01 0.15 0.00 -1.45 0.00 0.00 58.65 57.34 2dai h GLN 59 Cb 0.16 0.03 -0.16 0.00 -0.05 0.00 0.00 27.48 27.46 2dai h GLN 59 CO 0.04 -0.08 -0.40 0.00 -0.95 0.00 0.00 178.83 177.44 2dai h ALA 60 N 0.77 0.13 -0.31 3.87 0.00 -1.64 -0.16 119.26 121.91 2dai h ALA 60 Ca 0.21 0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.42 2dai h ALA 60 Cb 0.54 1.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 2dai h ALA 60 CO -0.81 -0.64 -0.18 -0.12 0.00 0.00 0.00 179.25 177.49 2dai n MET 61 N -5.46 -0.14 -0.23 0.00 0.00 0.78 0.12 117.12 112.19 2dai n MET 61 Ca 0.10 1.11 -0.00 0.00 0.00 0.00 0.00 57.70 58.90 2dai n MET 61 Cb 0.39 -1.65 0.07 0.00 0.00 0.00 0.00 33.22 32.04 2dai n MET 61 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2dai h GLU 62 N 0.00 -0.00 -0.95 2.12 4.39 -0.97 1.48 114.58 120.64 2dai h GLU 62 Ca 0.05 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.85 2dai h GLU 62 Cb 0.13 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.70 2dai h GLU 62 CO -0.29 -0.00 0.59 2.35 -1.16 0.00 0.00 179.01 180.50 2dai h TRP 63 N -0.00 1.09 0.00 4.33 7.01 0.33 1.49 115.95 130.20 2dai h TRP 63 Ca 0.32 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 61.25 2dai h TRP 63 Cb 0.49 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 27.19 2dai h TRP 63 CO -0.54 0.48 -0.48 -0.07 -2.79 0.00 0.00 178.44 175.04 2dai h LEU 64 N 1.00 0.00 -0.05 0.65 3.38 0.81 1.03 115.31 122.12 2dai h LEU 64 Ca 0.45 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.18 2dai h LEU 64 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2dai h LEU 64 CO -0.23 0.48 -1.07 0.40 0.09 0.00 0.00 178.44 178.11 2dai h ILE 65 N 0.00 1.45 0.00 1.22 2.04 0.60 -0.46 117.51 122.36 2dai h ILE 65 Ca -0.00 -2.73 -0.01 0.00 1.00 0.00 0.00 64.86 63.12 2dai h ILE 65 Cb 0.96 2.66 -0.00 0.00 -0.74 0.00 0.00 36.82 39.70 2dai h ILE 65 CO 0.06 0.80 -0.19 -0.33 0.00 0.00 0.00 178.15 178.50 2dai h GLU 66 N 0.15 0.00 0.00 2.37 4.39 0.21 -3.32 114.58 118.38 2dai h GLU 66 Ca -0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2dai h GLU 66 Cb 1.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.39 2dai h GLU 66 CO 0.18 0.13 0.00 0.72 -1.16 0.00 0.00 179.01 178.88 2dai n HIS 67 N -4.71 0.10 -0.33 4.33 8.25 0.35 -3.07 115.22 120.14 2dai n HIS 67 Ca -0.04 0.04 0.21 0.00 -0.26 0.00 0.00 57.72 57.67 2dai n HIS 67 Cb 0.14 -0.57 0.40 0.00 1.12 0.00 0.00 29.99 31.09 2dai n HIS 67 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dai h ALA 68 N 2.31 1.54 -1.85 -1.41 0.00 -1.16 0.27 119.26 118.97 2dai h ALA 68 Ca 0.00 0.31 -0.69 0.00 0.00 0.00 0.00 54.91 54.53 2dai h ALA 68 Cb 0.18 0.49 -0.35 0.00 0.00 0.00 0.00 17.79 18.11 2dai h ALA 68 CO 0.00 -0.71 0.10 0.39 0.00 0.00 0.00 179.25 179.04 2dai n GLU 69 N -5.40 4.15 -4.57 0.00 1.02 -1.17 -5.01 120.64 109.65 2dai n GLU 69 Ca 0.29 -4.76 -0.30 0.00 -0.02 0.00 0.00 57.16 52.37 2dai n GLU 69 Cb 0.95 -2.35 -0.13 0.00 -0.02 0.00 0.00 31.44 29.90 2dai n GLU 69 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2dai s ASP 70 N -2.48 3.46 -0.04 1.62 2.15 0.95 -5.05 116.67 117.28 2dai s ASP 70 Ca 0.44 -0.61 -0.24 0.00 0.43 0.00 0.00 52.55 52.57 2dai s ASP 70 Cb 0.22 -0.37 -0.22 0.00 -0.30 0.00 0.00 42.92 42.25 2dai s ASP 70 CO -0.12 0.22 1.08 1.55 -0.17 0.00 0.00 175.17 177.73 2dai h PRO 71 N 4.24 0.21 -0.70 4.34 0.13 -1.95 -3.29 132.00 134.98 2dai h PRO 71 Ca -0.49 -0.20 0.14 0.00 -0.87 0.00 0.00 66.00 64.58 2dai h PRO 71 Cb 1.16 0.05 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 2dai h PRO 71 CO 0.43 0.91 0.20 1.79 -0.23 0.00 0.00 178.00 181.10 2dai h THR 72 N -0.41 0.59 -1.73 1.56 1.35 -1.96 0.32 112.91 112.62 2dai h THR 72 Ca -0.03 -0.11 0.53 0.00 -0.55 0.00 0.00 66.41 66.25 2dai h THR 72 Cb 0.99 0.25 -0.10 0.00 -1.73 0.00 0.00 68.15 67.55 2dai h THR 72 CO 0.05 0.06 1.21 -0.29 -0.25 0.00 0.00 175.52 176.30 2dai h ILE 73 N 0.32 0.03 -3.67 6.82 2.10 -1.89 -3.46 117.51 117.77 2dai h ILE 73 Ca 0.39 -0.00 0.07 0.00 1.08 0.00 0.00 64.86 66.39 2dai h ILE 73 Cb 0.62 0.02 -0.04 0.00 -1.09 0.00 0.00 36.82 36.33 2dai h ILE 73 CO -0.45 0.00 -1.03 -0.67 -1.08 0.00 0.00 178.15 174.93 2dai n ASP 74 N -4.23 -8.28 -4.09 2.19 -0.08 0.11 -5.00 116.55 97.17 2dai n ASP 74 Ca 0.42 1.79 -0.18 0.00 -1.51 0.00 0.00 54.79 55.31 2dai n ASP 74 Cb 1.82 -5.02 -0.13 0.00 2.34 0.00 0.00 41.12 40.13 2dai n ASP 74 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2dai s THR 75 N -5.20 0.85 0.98 5.18 2.01 -1.26 -5.07 115.64 113.14 2dai s THR 75 Ca 0.00 -0.86 -0.15 0.00 0.31 0.00 0.00 61.69 60.99 2dai s THR 75 Cb 0.00 -0.79 0.18 0.00 0.01 0.00 0.00 72.50 71.90 2dai s THR 75 CO 0.00 -0.05 1.17 -2.16 -0.69 0.00 0.00 174.62 172.89 2dai s PRO 76 N -1.02 0.54 0.03 4.92 0.04 -1.26 -5.00 135.00 133.25 2dai s PRO 76 Ca -0.01 0.06 -0.28 0.00 0.04 0.00 0.00 61.00 60.82 2dai s PRO 76 Cb -0.07 -1.79 -0.17 0.00 0.04 0.00 0.00 34.50 32.51 2dai s PRO 76 CO 0.01 -2.56 1.33 -0.07 0.04 0.00 0.00 177.00 175.75 2dai h LEU 77 N -1.76 -0.59 -8.39 -3.56 3.38 -2.04 -3.40 115.31 98.95 2dai h LEU 77 Ca -0.48 -0.05 -0.70 0.00 0.09 0.00 0.00 57.88 56.74 2dai h LEU 77 Cb 1.30 0.15 -0.25 0.00 0.09 0.00 0.00 40.66 41.96 2dai h LEU 77 CO 0.51 -0.28 -0.54 -0.94 0.09 0.00 0.00 178.44 177.28 2dai s SER 78 N -4.70 5.62 0.00 -0.43 1.04 -1.26 -4.98 113.70 108.98 2dai s SER 78 Ca -0.15 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.38 2dai s SER 78 Cb 0.02 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.15 2dai s SER 78 CO 0.54 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 175.04 2dai n GLY 79 N 4.97 5.37 3.58 7.32 0.00 -1.26 -5.05 105.19 120.12 2dai n GLY 79 Ca -0.12 -1.28 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 2dai n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dai s PRO 80 N 1.60 3.25 0.51 1.61 0.04 -1.26 -4.73 135.00 136.03 2dai s PRO 80 Ca 0.00 -1.60 0.00 0.00 0.04 0.00 0.00 61.00 59.44 2dai s PRO 80 Cb 0.00 -5.40 0.00 0.00 0.04 0.00 0.00 34.50 29.14 2dai s PRO 80 CO 0.00 -3.11 0.00 0.43 0.04 0.00 0.00 177.00 174.36 2dai n SER 81 N 11.34 -8.30 -3.92 6.66 7.64 -1.26 -5.05 113.62 120.73 2dai n SER 81 Ca 0.47 1.27 -0.10 0.00 1.01 0.00 0.00 58.87 61.52 2dai n SER 81 Cb 0.46 -4.62 -0.10 0.00 -1.01 0.00 0.00 64.21 58.95 2dai n SER 81 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dai s SER 82 N -3.60 0.16 0.00 6.43 0.15 -1.26 -5.14 113.70 110.43 2dai s SER 82 Ca 0.00 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.18 2dai s SER 82 Cb 0.00 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 2dai s SER 82 CO 0.00 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.59