#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dai s SER 2 N 0.00 -0.15 -0.02 1.61 1.04 -1.26 -5.19 113.70 109.74 2dai s SER 2 Ca 0.00 0.28 -0.30 0.00 0.48 0.00 0.00 55.95 56.41 2dai s SER 2 Cb 0.00 0.29 0.12 0.00 0.10 0.00 0.00 66.02 66.53 2dai s SER 2 CO 0.00 -0.05 1.28 -0.94 0.98 0.00 0.00 173.24 174.51 2dai s SER 3 N 0.08 -0.06 -0.07 7.02 1.04 -1.26 -4.95 113.70 115.50 2dai s SER 3 Ca 0.06 -0.14 -0.29 0.00 0.48 0.00 0.00 55.95 56.07 2dai s SER 3 Cb -0.05 0.17 0.09 0.00 0.10 0.00 0.00 66.02 66.33 2dai s SER 3 CO -0.13 -0.31 1.30 0.61 0.98 0.00 0.00 173.24 175.69 2dai n GLY 4 N -0.48 0.13 3.67 7.32 0.00 -1.26 -5.19 105.19 109.38 2dai n GLY 4 Ca -0.08 -1.02 -0.01 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.84 -0.12 -0.01 1.61 1.04 -1.26 -5.16 113.70 105.96 2dai s SER 5 Ca 0.31 -0.23 -0.30 0.00 0.48 0.00 0.00 55.95 56.21 2dai s SER 5 Cb -0.00 0.30 0.11 0.00 0.10 0.00 0.00 66.02 66.52 2dai s SER 5 CO -0.02 -0.54 1.19 -0.94 0.98 0.00 0.00 173.24 173.91 2dai s SER 6 N -2.90 -0.11 0.00 7.02 1.04 -1.26 -5.19 113.70 112.30 2dai s SER 6 Ca 0.13 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2dai s SER 6 Cb 0.02 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.37 2dai s SER 6 CO -0.02 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.39 2dai n GLY 7 N -0.41 1.91 3.23 7.32 0.00 -1.26 -5.18 105.19 110.81 2dai n GLY 7 Ca -0.07 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 2dai n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dai s ASP 8 N 0.43 -0.19 -0.27 1.61 1.01 -1.26 -5.14 116.67 112.85 2dai s ASP 8 Ca 0.00 0.10 -0.25 0.00 0.71 0.00 0.00 52.55 53.11 2dai s ASP 8 Cb 0.00 0.32 0.11 0.00 1.01 0.00 0.00 42.92 44.36 2dai s ASP 8 CO 0.00 -0.43 0.95 0.00 0.21 0.00 0.00 175.17 175.90 2dai s ALA 9 N -1.26 -1.92 0.00 5.23 0.00 -1.26 -5.18 121.76 117.37 2dai s ALA 9 Ca -0.13 1.91 0.00 0.00 0.00 0.00 0.00 51.96 53.74 2dai s ALA 9 Cb -0.05 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.72 2dai s ALA 9 CO 0.04 -0.27 0.00 1.33 0.00 0.00 0.00 175.76 176.86 2dai n VAL 10 N 2.30 0.00 0.00 0.00 0.24 -1.26 -5.19 118.33 114.42 2dai n VAL 10 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 2dai n VAL 10 Cb 0.56 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.93 2dai n VAL 10 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2dai n GLU 11 N 0.00 0.00 -1.29 7.34 0.00 -1.26 -5.16 120.64 120.27 2dai n GLU 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2dai n GLU 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 2dai n GLU 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2dai n LEU 12 N 0.00 -1.55 -4.48 4.31 4.32 -1.26 -4.84 117.00 113.50 2dai n LEU 12 Ca 0.00 2.38 -0.41 0.00 -0.02 0.00 0.00 56.01 57.96 2dai n LEU 12 Cb 0.00 -2.34 -0.11 0.00 -1.62 0.00 0.00 43.42 39.35 2dai n LEU 12 CO 0.00 -0.37 -0.13 0.12 -1.22 0.00 0.00 177.39 175.79 2dai s PHE 13 N -4.61 3.23 -0.29 -1.77 2.19 -1.26 -5.02 117.98 110.45 2dai s PHE 13 Ca 0.00 -0.44 -0.19 0.00 0.33 0.00 0.00 56.93 56.63 2dai s PHE 13 Cb 0.00 -2.48 0.17 0.00 -1.31 0.00 0.00 43.02 39.40 2dai s PHE 13 CO 0.00 -0.46 1.17 -1.59 1.83 0.00 0.00 175.22 176.17 2dai s LYS 14 N 1.68 0.22 -1.26 10.12 -2.85 -1.26 -5.07 119.74 121.31 2dai s LYS 14 Ca 0.05 0.34 -0.11 0.00 -1.00 0.00 0.00 55.97 55.25 2dai s LYS 14 Cb -0.18 0.06 0.16 0.00 -2.06 0.00 0.00 37.83 35.82 2dai s LYS 14 CO 0.09 -0.04 1.76 1.17 0.10 0.00 0.00 175.35 178.43 2dai n LYS 15 N 2.92 3.53 0.00 1.78 3.00 -1.26 -4.85 118.16 123.29 2dai n LYS 15 Ca -0.16 -3.60 0.00 0.00 -0.00 0.00 0.00 58.31 54.55 2dai n LYS 15 Cb 0.57 -2.97 0.00 0.00 0.00 0.00 0.00 35.03 32.62 2dai n LYS 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dai n ALA 16 N 4.48 0.00 -2.55 3.14 0.00 -1.26 -4.78 120.51 119.54 2dai n ALA 16 Ca 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.83 2dai n ALA 16 Cb 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.83 2dai n ALA 16 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2dai n ASN 17 N 1.97 -6.56 0.00 0.00 2.85 -1.26 -5.07 115.26 107.18 2dai n ASN 17 Ca 0.00 1.26 0.00 0.00 -0.11 0.00 0.00 54.58 55.73 2dai n ASN 17 Cb 0.00 -4.80 0.00 0.00 1.24 0.00 0.00 39.78 36.22 2dai n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2dai n ALA 18 N 0.71 0.00 -3.62 5.20 0.00 -1.26 -5.18 120.51 116.36 2dai n ALA 18 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.27 2dai n ALA 18 Cb 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.44 2dai n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dai s MET 19 N -2.00 0.81 0.00 0.00 0.23 -1.26 -5.07 119.30 112.01 2dai s MET 19 Ca 0.00 1.01 0.00 0.00 -1.03 0.00 0.00 55.69 55.67 2dai s MET 19 Cb 0.00 0.37 0.00 0.00 -1.53 0.00 0.00 34.83 33.67 2dai s MET 19 CO 0.00 -0.10 0.00 -0.11 -2.03 0.00 0.00 175.02 172.78 2dai n LEU 20 N 2.88 0.00 -3.07 0.18 7.94 -1.26 -5.13 117.00 118.54 2dai n LEU 20 Ca -0.15 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.78 2dai n LEU 20 Cb 0.56 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.50 2dai n LEU 20 CO 0.03 0.00 0.31 -0.62 -1.11 0.00 0.00 177.39 176.00 2dai s ASP 21 N 0.00 -0.93 -0.46 1.96 -1.08 -1.26 -5.05 116.67 109.85 2dai s ASP 21 Ca 0.00 -0.17 0.07 0.00 -0.52 0.00 0.00 52.55 51.93 2dai s ASP 21 Cb 0.00 1.39 0.40 0.00 -1.46 0.00 0.00 42.92 43.25 2dai s ASP 21 CO 0.00 -0.14 1.04 -1.84 0.52 0.00 0.00 175.17 174.75 2dai n GLU 22 N 4.65 3.04 -3.84 4.34 0.28 -1.26 -5.03 120.64 122.82 2dai n GLU 22 Ca 0.08 -4.42 -0.10 0.00 -0.16 0.00 0.00 57.16 52.56 2dai n GLU 22 Cb 0.58 -2.12 -0.06 0.00 1.43 0.00 0.00 31.44 31.27 2dai n GLU 22 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2dai s ASP 23 N -3.43 -0.06 1.00 -1.84 2.15 -1.26 -5.16 116.67 108.07 2dai s ASP 23 Ca 0.46 -0.66 -0.12 0.00 0.43 0.00 0.00 52.55 52.65 2dai s ASP 23 Cb 0.37 0.46 0.14 0.00 -0.30 0.00 0.00 42.92 43.59 2dai s ASP 23 CO -0.15 -0.90 0.80 -1.84 -0.17 0.00 0.00 175.17 172.91 2dai n GLU 24 N -0.22 -0.92 -1.99 4.34 0.00 -1.26 -4.89 120.64 115.70 2dai n GLU 24 Ca -0.10 -0.22 -0.41 0.00 0.00 0.00 0.00 57.16 56.42 2dai n GLU 24 Cb 0.63 -2.12 -0.02 0.00 0.00 0.00 0.00 31.44 29.93 2dai n GLU 24 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 2dai s ASP 25 N -2.34 6.61 -0.29 -1.84 1.47 -1.26 -4.99 116.67 114.04 2dai s ASP 25 Ca 0.63 2.75 -0.25 0.00 1.18 0.00 0.00 52.55 56.86 2dai s ASP 25 Cb -0.22 -2.64 0.18 0.00 -0.34 0.00 0.00 42.92 39.90 2dai s ASP 25 CO 0.63 -0.70 1.35 -1.61 0.68 0.00 0.00 175.17 175.52 2dai s GLU 26 N -0.96 0.16 0.32 2.11 2.02 -1.26 -5.16 118.70 115.93 2dai s GLU 26 Ca 0.56 0.19 0.00 0.00 0.02 0.00 0.00 54.97 55.74 2dai s GLU 26 Cb -0.43 0.08 0.00 0.00 0.10 0.00 0.00 34.13 33.88 2dai s GLU 26 CO 0.49 -0.02 0.00 0.54 0.02 0.00 0.00 175.26 176.29 2dai n ARG 27 N 1.74 -2.07 -1.03 1.61 1.74 -1.26 -4.87 116.66 112.53 2dai n ARG 27 Ca -0.11 1.54 -0.29 0.00 -0.77 0.00 0.00 57.85 58.22 2dai n ARG 27 Cb 0.57 -2.47 0.17 0.00 -1.02 0.00 0.00 32.46 29.70 2dai n ARG 27 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2dai s VAL 28 N -2.80 2.41 0.22 1.55 1.01 -1.26 -4.99 120.40 116.54 2dai s VAL 28 Ca 0.00 0.13 -0.25 0.00 0.00 0.00 0.00 61.98 61.86 2dai s VAL 28 Cb 0.00 -2.49 -0.09 0.00 0.00 0.00 0.00 36.38 33.80 2dai s VAL 28 CO 0.00 -0.18 0.82 -0.62 0.00 0.00 0.00 175.10 175.13 2dai s ASP 29 N -3.18 7.36 -0.15 3.32 2.15 -1.26 -4.98 116.67 119.92 2dai s ASP 29 Ca 0.65 1.69 -0.18 0.00 0.43 0.00 0.00 52.55 55.13 2dai s ASP 29 Cb -0.20 -2.52 -0.24 0.00 -0.30 0.00 0.00 42.92 39.67 2dai s ASP 29 CO 0.58 0.12 0.41 -0.33 -0.17 0.00 0.00 175.17 175.78 2dai h GLU 30 N 3.91 0.12 -0.63 4.34 4.39 -1.98 -2.92 114.58 121.81 2dai h GLU 30 Ca -0.47 -0.20 0.12 0.00 0.34 0.00 0.00 59.36 59.15 2dai h GLU 30 Cb 1.20 0.08 -0.12 0.00 -0.10 0.00 0.00 28.75 29.80 2dai h GLU 30 CO 0.66 1.10 -0.23 0.00 -1.16 0.00 0.00 179.01 179.37 2dai h ALA 31 N -0.21 0.25 0.74 3.43 0.00 -1.97 0.88 119.26 122.37 2dai h ALA 31 Ca -0.31 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2dai h ALA 31 Cb 1.53 0.62 0.01 0.00 0.00 0.00 0.00 17.79 19.94 2dai h ALA 31 CO -0.06 -0.52 -0.35 0.00 0.00 0.00 0.00 179.25 178.32 2dai h ALA 32 N 1.40 -1.02 -0.99 0.00 0.00 -1.94 -2.61 119.26 114.10 2dai h ALA 32 Ca 0.29 -0.22 0.28 0.00 0.00 0.00 0.00 54.91 55.26 2dai h ALA 32 Cb 0.52 0.38 -0.18 0.00 0.00 0.00 0.00 17.79 18.51 2dai h ALA 32 CO -0.68 -0.94 0.08 1.25 0.00 0.00 0.00 179.25 178.95 2dai h LEU 33 N -1.23 -0.40 -0.15 0.00 5.85 -1.15 0.90 115.31 119.13 2dai h LEU 33 Ca -0.10 0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.94 2dai h LEU 33 Cb 0.76 0.46 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 2dai h LEU 33 CO 0.17 -0.36 -0.17 -0.09 -0.34 0.00 0.00 178.44 177.65 2dai h ARG 34 N 0.01 -0.19 -0.80 1.25 9.65 0.90 0.24 114.38 125.45 2dai h ARG 34 Ca 0.62 0.01 0.19 0.00 -1.10 0.00 0.00 59.98 59.71 2dai h ARG 34 Cb 1.32 0.04 -0.13 0.00 -1.39 0.00 0.00 29.97 29.81 2dai h ARG 34 CO -0.90 -0.13 0.15 1.96 2.80 0.00 0.00 179.97 183.85 2dai h GLN 35 N -0.20 0.19 0.24 0.20 4.20 0.12 1.43 115.11 121.30 2dai h GLN 35 Ca 0.10 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 2dai h GLN 35 Cb 0.35 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2dai h GLN 35 CO -0.27 0.13 -0.11 -0.07 -0.67 0.00 0.00 178.83 177.83 2dai h LEU 36 N 0.20 -0.27 -1.50 1.46 3.38 -0.70 -1.95 115.31 115.93 2dai h LEU 36 Ca 0.47 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.59 2dai h LEU 36 Cb 0.88 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 2dai h LEU 36 CO -0.62 -0.12 0.71 0.71 0.09 0.00 0.00 178.44 179.22 2dai h THR 37 N -0.46 0.15 0.01 0.22 1.35 -0.05 1.46 112.91 115.59 2dai h THR 37 Ca -0.03 0.00 -0.23 0.00 -0.55 0.00 0.00 66.41 65.60 2dai h THR 37 Cb 0.24 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.06 2dai h THR 37 CO 0.05 0.00 -0.96 -0.33 -0.25 0.00 0.00 175.52 174.03 2dai h GLU 38 N 0.00 0.43 0.46 4.72 4.39 0.21 -3.35 114.58 121.44 2dai h GLU 38 Ca 0.22 -0.47 -0.02 0.00 0.34 0.00 0.00 59.36 59.43 2dai h GLU 38 Cb 1.64 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.43 2dai h GLU 38 CO -0.00 1.13 -0.22 0.52 -1.16 0.00 0.00 179.01 179.27 2dai h MET 39 N 0.24 -0.60 0.00 2.33 2.86 0.28 -3.48 114.93 116.56 2dai h MET 39 Ca -0.09 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2dai h MET 39 Cb 1.60 0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.40 2dai h MET 39 CO 0.17 -0.40 0.00 0.41 1.06 0.00 0.00 176.91 178.15 2dai n GLY 40 N 0.11 -0.68 3.15 8.32 0.00 -0.76 -5.12 105.19 110.22 2dai n GLY 40 Ca -0.08 0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 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 1.04 0.07 1.61 0.40 -1.23 -5.03 117.98 114.84 2dai s PHE 41 Ca 0.00 -0.55 -0.30 0.00 -0.60 0.00 0.00 56.93 55.47 2dai s PHE 41 Cb 0.00 -0.58 -0.06 0.00 0.51 0.00 0.00 43.02 42.89 2dai s PHE 41 CO 0.00 0.01 1.16 -1.25 0.70 0.00 0.00 175.22 175.83 2dai s PRO 42 N -2.18 4.47 0.19 0.24 0.04 -1.26 -4.21 135.00 132.29 2dai s PRO 42 Ca -0.00 1.72 -0.13 0.00 0.04 0.00 0.00 61.00 62.63 2dai s PRO 42 Cb -0.07 -3.35 0.21 0.00 0.04 0.00 0.00 34.50 31.33 2dai s PRO 42 CO 0.01 -0.19 1.70 1.49 0.04 0.00 0.00 177.00 180.05 2dai h GLU 43 N 6.58 0.18 -0.34 4.56 4.81 -1.96 0.68 114.58 129.09 2dai h GLU 43 Ca -0.42 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 58.83 2dai h GLU 43 Cb 1.21 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 2dai h GLU 43 CO 0.79 0.12 -0.30 -2.95 -0.73 0.00 0.00 179.01 175.95 2dai h ASN 44 N 0.19 -1.04 0.86 1.04 -1.07 -1.98 1.56 115.58 115.14 2dai h ASN 44 Ca 0.26 0.15 -0.04 0.00 0.07 0.00 0.00 56.30 56.73 2dai h ASN 44 Cb 0.38 0.44 0.01 0.00 -2.07 0.00 0.00 38.32 37.07 2dai h ASN 44 CO -0.37 -0.17 -0.41 0.03 0.07 0.00 0.00 177.43 176.57 2dai h ARG 45 N -0.12 -1.12 -0.95 4.14 3.08 -1.85 -1.40 114.38 116.16 2dai h ARG 45 Ca 0.06 0.08 0.17 0.00 0.07 0.00 0.00 59.98 60.35 2dai h ARG 45 Cb 0.27 0.25 -0.17 0.00 0.08 0.00 0.00 29.97 30.41 2dai h ARG 45 CO -0.38 -0.74 -0.30 0.00 -1.07 0.00 0.00 179.97 177.47 2dai n ALA 46 N -2.69 0.05 0.25 0.04 0.00 0.23 0.16 120.51 118.56 2dai n ALA 46 Ca -0.14 0.99 -0.16 0.00 0.00 0.00 0.00 53.44 54.13 2dai n ALA 46 Cb 0.46 -0.52 -0.08 0.00 0.00 0.00 0.00 19.45 19.30 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 0.23 0.43 0.00 2.02 0.23 0.48 112.91 116.31 2dai h THR 47 Ca 0.39 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.56 2dai h THR 47 Cb 0.63 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 2dai h THR 47 CO -0.96 0.00 -0.42 0.50 0.37 0.00 0.00 175.52 175.01 2dai h LYS 48 N -0.80 -0.82 -0.74 6.66 3.64 0.89 -2.01 116.57 123.39 2dai h LYS 48 Ca -0.04 0.06 0.13 0.00 -1.27 0.00 0.00 60.65 59.53 2dai h LYS 48 Cb 0.71 0.19 -0.13 0.00 -0.41 0.00 0.00 32.23 32.58 2dai h LYS 48 CO -0.05 -0.55 -0.30 0.00 -2.27 0.00 0.00 179.45 176.28 2dai h ALA 49 N -1.06 0.18 -0.39 5.00 0.00 0.16 -0.32 119.26 122.82 2dai h ALA 49 Ca -0.06 0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.13 2dai h ALA 49 Cb 0.74 0.77 -0.05 0.00 0.00 0.00 0.00 17.79 19.24 2dai h ALA 49 CO -0.05 -0.58 -0.28 -0.07 0.00 0.00 0.00 179.25 178.27 2dai h LEU 50 N -0.08 -1.01 -0.72 0.00 3.38 0.44 1.55 115.31 118.88 2dai h LEU 50 Ca 0.30 0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.54 2dai h LEU 50 Cb 0.57 0.44 -0.13 0.00 0.09 0.00 0.00 40.66 41.63 2dai h LEU 50 CO -0.78 -0.14 -0.35 1.56 0.09 0.00 0.00 178.44 178.81 2dai h GLN 51 N -0.06 -0.11 -0.35 1.13 4.20 -0.38 1.79 115.11 121.32 2dai h GLN 51 Ca 0.06 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.81 2dai h GLN 51 Cb 0.23 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 2dai h GLN 51 CO -0.40 -0.07 0.23 -0.07 -0.67 0.00 0.00 178.83 177.85 2dai h LEU 52 N -0.11 0.31 -3.98 1.46 3.38 0.20 0.15 115.31 116.71 2dai h LEU 52 Ca 0.27 -0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.59 2dai h LEU 52 Cb 0.57 -0.07 -0.30 0.00 0.09 0.00 0.00 40.66 40.95 2dai h LEU 52 CO -0.78 0.21 0.77 0.59 0.09 0.00 0.00 178.44 179.33 2dai n ASN 53 N -4.49 6.85 -4.13 -0.43 3.02 0.51 -4.89 115.26 111.70 2dai n ASN 53 Ca 0.03 -3.76 -0.37 0.00 -0.03 0.00 0.00 54.58 50.46 2dai n ASN 53 Cb 0.15 -0.93 -0.04 0.00 -0.61 0.00 0.00 39.78 38.36 2dai n ASN 53 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2dai n HIS 54 N -0.96 -1.22 -3.96 3.10 8.25 0.67 -0.30 115.22 120.81 2dai n HIS 54 Ca 0.61 0.31 -0.41 0.00 -0.26 0.00 0.00 57.72 57.97 2dai n HIS 54 Cb 0.86 -2.58 0.02 0.00 1.12 0.00 0.00 29.99 29.41 2dai n HIS 54 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2dai n MET 55 N -4.57 -0.60 -4.31 -0.41 2.81 0.50 -4.92 117.12 105.62 2dai n MET 55 Ca -0.21 0.26 -0.35 0.00 -1.81 0.00 0.00 57.70 55.59 2dai n MET 55 Cb 0.59 -2.76 -0.10 0.00 -0.71 0.00 0.00 33.22 30.24 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 -3.42 5.28 -0.07 7.83 0.01 0.60 -4.98 113.70 118.95 2dai s SER 56 Ca 0.41 0.12 -0.25 0.00 1.31 0.00 0.00 55.95 57.54 2dai s SER 56 Cb -0.21 -1.60 -0.26 0.00 0.21 0.00 0.00 66.02 64.16 2dai s SER 56 CO 0.94 0.33 0.95 0.58 0.41 0.00 0.00 173.24 176.45 2dai h VAL 57 N 4.36 1.59 0.15 3.43 2.07 -1.90 -2.93 116.25 123.02 2dai h VAL 57 Ca -0.47 -2.18 -0.01 0.00 0.82 0.00 0.00 66.70 64.86 2dai h VAL 57 Cb 1.19 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.96 2dai h VAL 57 CO 0.57 0.60 -0.07 1.55 0.02 0.00 0.00 177.57 180.24 2dai h PRO 58 N -0.55 -0.19 -0.82 1.57 0.13 -1.97 -3.23 132.00 126.93 2dai h PRO 58 Ca -0.05 0.01 0.12 0.00 -0.87 0.00 0.00 66.00 65.21 2dai h PRO 58 Cb 1.17 0.04 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 2dai h PRO 58 CO 0.07 -0.13 -0.41 1.96 -0.23 0.00 0.00 178.00 179.26 2dai h GLN 59 N -0.63 -0.08 -0.98 0.86 1.08 -1.92 0.19 115.11 113.62 2dai h GLN 59 Ca -0.02 0.01 0.12 0.00 -1.45 0.00 0.00 58.65 57.31 2dai h GLN 59 Cb 0.15 0.02 -0.14 0.00 -0.05 0.00 0.00 27.48 27.46 2dai h GLN 59 CO 0.03 -0.05 -0.47 0.00 -0.95 0.00 0.00 178.83 177.39 2dai n ALA 60 N -3.31 -0.35 -0.06 3.87 0.00 -1.11 -1.14 120.51 118.41 2dai n ALA 60 Ca 0.06 0.91 -0.02 0.00 0.00 0.00 0.00 53.44 54.40 2dai n ALA 60 Cb 0.37 -0.30 -0.02 0.00 0.00 0.00 0.00 19.45 19.50 2dai n ALA 60 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2dai n MET 61 N -5.34 -0.07 -0.28 0.00 0.00 0.65 0.12 117.12 112.20 2dai n MET 61 Ca 0.06 1.03 0.08 0.00 0.00 0.00 0.00 57.70 58.88 2dai n MET 61 Cb 0.33 -1.54 0.21 0.00 0.00 0.00 0.00 33.22 32.22 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 0.10 -0.88 2.12 4.39 -1.05 1.43 114.58 120.69 2dai h GLU 62 Ca 0.02 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.75 2dai h GLU 62 Cb 0.06 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.64 2dai h GLU 62 CO -0.14 0.07 0.57 2.35 -1.16 0.00 0.00 179.01 180.70 2dai h TRP 63 N 0.11 1.08 0.00 4.33 7.01 0.87 1.55 115.95 130.89 2dai h TRP 63 Ca 0.48 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.47 2dai h TRP 63 Cb 0.89 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.59 2dai h TRP 63 CO -0.41 0.62 -0.17 -0.07 -2.79 0.00 0.00 178.44 175.62 2dai h LEU 64 N 1.12 0.00 0.16 0.65 3.38 0.95 0.62 115.31 122.19 2dai h LEU 64 Ca 0.35 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.99 2dai h LEU 64 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2dai h LEU 64 CO -0.11 0.17 -1.63 0.40 0.09 0.00 0.00 178.44 177.36 2dai h ILE 65 N 0.00 1.06 0.11 1.22 2.04 0.40 -2.52 117.51 119.82 2dai h ILE 65 Ca -0.00 -2.66 -0.01 0.00 1.00 0.00 0.00 64.86 63.20 2dai h ILE 65 Cb 0.63 2.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.50 2dai h ILE 65 CO 0.02 0.83 -0.05 -0.33 0.00 0.00 0.00 178.15 178.63 2dai h GLU 66 N 0.09 -0.14 0.00 2.37 4.39 0.23 -3.26 114.58 118.26 2dai h GLU 66 Ca -0.29 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.42 2dai h GLU 66 Cb 2.07 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.75 2dai h GLU 66 CO 0.18 -0.09 0.00 0.72 -1.16 0.00 0.00 179.01 178.66 2dai n HIS 67 N -4.16 0.70 -0.66 4.33 8.25 0.21 -2.50 115.22 121.40 2dai n HIS 67 Ca -0.02 0.35 0.51 0.00 -0.26 0.00 0.00 57.72 58.30 2dai n HIS 67 Cb 0.06 -1.06 0.80 0.00 1.12 0.00 0.00 29.99 30.91 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 2.05 3.68 -1.93 -1.41 0.00 -1.49 0.75 119.26 120.91 2dai h ALA 68 Ca 0.00 -0.03 -0.56 0.00 0.00 0.00 0.00 54.91 54.31 2dai h ALA 68 Cb 0.07 0.16 -0.42 0.00 0.00 0.00 0.00 17.79 17.61 2dai h ALA 68 CO 0.00 -2.26 -0.77 0.39 0.00 0.00 0.00 179.25 176.61 2dai n GLU 69 N -4.08 2.89 -4.24 0.00 -0.58 -1.04 -5.06 120.64 108.53 2dai n GLU 69 Ca 0.43 -4.47 -0.29 0.00 -0.42 0.00 0.00 57.16 52.40 2dai n GLU 69 Cb 1.92 -2.11 -0.10 0.00 -0.57 0.00 0.00 31.44 30.58 2dai n GLU 69 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2dai s ASP 70 N -3.35 4.30 -0.07 1.62 2.15 0.26 -5.06 116.67 116.52 2dai s ASP 70 Ca 0.46 -0.43 -0.17 0.00 0.43 0.00 0.00 52.55 52.84 2dai s ASP 70 Cb 0.34 -0.78 -0.12 0.00 -0.30 0.00 0.00 42.92 42.06 2dai s ASP 70 CO -0.14 0.17 0.63 1.55 -0.17 0.00 0.00 175.17 177.22 2dai h PRO 71 N 3.56 -0.20 -0.84 4.34 0.13 -1.88 -3.29 132.00 133.82 2dai h PRO 71 Ca -0.49 0.01 0.12 0.00 -0.87 0.00 0.00 66.00 64.78 2dai h PRO 71 Cb 1.17 0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 2dai h PRO 71 CO 0.51 0.16 -0.43 1.79 -0.23 0.00 0.00 178.00 179.81 2dai h THR 72 N -0.96 0.04 -1.10 1.56 1.35 -1.97 1.30 112.91 113.14 2dai h THR 72 Ca -0.02 0.00 0.37 0.00 -0.55 0.00 0.00 66.41 66.20 2dai h THR 72 Cb 0.45 0.04 -0.14 0.00 -1.73 0.00 0.00 68.15 66.77 2dai h THR 72 CO 0.03 0.00 0.66 -0.29 -0.25 0.00 0.00 175.52 175.67 2dai h ILE 73 N -0.08 0.22 0.00 6.82 2.10 -1.91 -3.43 117.51 121.23 2dai h ILE 73 Ca 0.26 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 66.13 2dai h ILE 73 Cb 0.55 -0.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.27 2dai h ILE 73 CO -0.87 0.04 0.00 -0.67 -1.08 0.00 0.00 178.15 175.57 2dai n ASP 74 N -4.94 0.00 -4.77 2.19 -0.08 0.45 -5.10 116.55 104.30 2dai n ASP 74 Ca 0.34 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 53.23 2dai n ASP 74 Cb 1.15 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 44.60 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 -1.59 3.02 0.39 5.18 2.01 -1.18 -4.25 115.64 119.22 2dai s THR 75 Ca 0.00 0.87 -0.24 0.00 0.31 0.00 0.00 61.69 62.63 2dai s THR 75 Cb 0.00 -3.50 -0.09 0.00 0.01 0.00 0.00 72.50 68.92 2dai s THR 75 CO 0.00 0.09 1.05 -2.16 -0.69 0.00 0.00 174.62 172.92 2dai s PRO 76 N -2.26 4.20 0.24 4.92 0.04 -1.26 -5.06 135.00 135.82 2dai s PRO 76 Ca 0.57 1.54 0.11 0.00 0.04 0.00 0.00 61.00 63.26 2dai s PRO 76 Cb -0.33 -2.60 -0.05 0.00 0.04 0.00 0.00 34.50 31.57 2dai s PRO 76 CO 0.41 -0.11 -0.17 -0.51 0.04 0.00 0.00 177.00 176.66 2dai s LEU 77 N -2.54 2.67 -0.10 -3.56 1.43 -1.26 -5.08 118.68 110.24 2dai s LEU 77 Ca 0.57 -0.88 -0.10 0.00 -1.03 0.00 0.00 54.13 52.68 2dai s LEU 77 Cb -0.23 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 2dai s LEU 77 CO 0.29 0.06 -0.19 -1.20 0.23 0.00 0.00 176.35 175.54 2dai n SER 78 N -0.34 1.08 0.00 2.29 7.64 -1.26 -5.07 113.62 117.96 2dai n SER 78 Ca -0.08 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2dai n SER 78 Cb 0.58 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 2dai n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dai n GLY 79 N 1.48 1.46 3.81 0.23 0.00 -1.26 -4.77 105.19 106.14 2dai n GLY 79 Ca -0.08 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 2.46 -0.61 1.61 0.04 -1.26 -5.03 135.00 132.21 2dai s PRO 80 Ca 0.00 0.77 0.05 0.00 0.04 0.00 0.00 61.00 61.86 2dai s PRO 80 Cb 0.00 -1.95 0.17 0.00 0.04 0.00 0.00 34.50 32.76 2dai s PRO 80 CO 0.00 -1.39 0.43 0.45 0.04 0.00 0.00 177.00 176.53 2dai s SER 81 N -3.86 3.90 -0.30 6.66 0.15 -1.26 -5.01 113.70 113.97 2dai s SER 81 Ca 0.60 -3.56 -0.19 0.00 0.70 0.00 0.00 55.95 53.50 2dai s SER 81 Cb -0.14 -1.30 0.19 0.00 -1.71 0.00 0.00 66.02 63.05 2dai s SER 81 CO 0.55 -0.12 1.27 -0.94 1.20 0.00 0.00 173.24 175.20 2dai s SER 82 N -0.93 -0.08 0.00 5.45 1.04 -1.26 -5.33 113.70 112.59 2dai s SER 82 Ca 0.26 0.10 0.23 0.00 0.48 0.00 0.00 55.95 57.02 2dai s SER 82 Cb -0.04 1.09 1.36 0.00 0.10 0.00 0.00 66.02 68.52 2dai s SER 82 CO -0.16 -0.02 1.73 0.61 0.98 0.00 0.00 173.24 176.39