#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 -0.21 0.20 1.61 1.04 -1.26 -5.19 113.70 109.89 2dai s SER 2 Ca 0.00 -0.53 -0.20 0.00 0.48 0.00 0.00 55.95 55.69 2dai s SER 2 Cb 0.00 0.62 0.04 0.00 0.10 0.00 0.00 66.02 66.79 2dai s SER 2 CO 0.00 -1.16 0.60 -0.55 0.98 0.00 0.00 173.24 173.11 2dai s SER 3 N -2.94 -0.37 0.00 7.02 0.15 -1.26 -5.18 113.70 111.12 2dai s SER 3 Ca 0.12 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.42 2dai s SER 3 Cb -0.04 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 2dai s SER 3 CO 0.05 -1.10 0.00 0.61 1.20 0.00 0.00 173.24 174.00 2dai n GLY 4 N -0.39 1.43 3.64 9.45 0.00 -1.26 -5.18 105.19 112.88 2dai n GLY 4 Ca -0.11 -0.77 -0.05 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 -0.16 -0.24 1.61 1.04 -1.26 -5.18 113.70 109.51 2dai s SER 5 Ca 0.00 0.26 -0.30 0.00 0.48 0.00 0.00 55.95 56.40 2dai s SER 5 Cb 0.00 0.25 0.17 0.00 0.10 0.00 0.00 66.02 66.54 2dai s SER 5 CO 0.00 -0.09 1.24 -0.94 0.98 0.00 0.00 173.24 174.43 2dai s SER 6 N -0.33 -0.15 0.00 7.02 1.04 -1.26 -5.16 113.70 114.86 2dai s SER 6 Ca 0.06 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.65 2dai s SER 6 Cb -0.03 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2dai s SER 6 CO -0.10 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2dai n GLY 7 N 0.58 -0.15 3.90 7.32 0.00 -1.26 -5.17 105.19 110.41 2dai n GLY 7 Ca -0.03 0.78 -0.28 0.00 0.00 0.00 0.00 46.02 46.48 2dai n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dai s ASP 8 N 0.00 5.70 0.36 1.61 1.47 -1.26 -5.10 116.67 119.45 2dai s ASP 8 Ca 0.00 0.92 0.03 0.00 1.18 0.00 0.00 52.55 54.68 2dai s ASP 8 Cb 0.00 -1.90 -0.04 0.00 -0.34 0.00 0.00 42.92 40.63 2dai s ASP 8 CO 0.00 -1.06 0.10 0.00 0.68 0.00 0.00 175.17 174.89 2dai s ALA 9 N -3.08 2.55 -0.27 2.11 0.00 -1.26 -5.17 121.76 116.65 2dai s ALA 9 Ca 0.54 -1.61 -0.26 0.00 0.00 0.00 0.00 51.96 50.64 2dai s ALA 9 Cb -0.11 0.77 0.13 0.00 0.00 0.00 0.00 23.12 23.92 2dai s ALA 9 CO 0.48 -0.35 1.10 0.54 0.00 0.00 0.00 175.76 177.52 2dai s VAL 10 N -3.32 0.00 -0.30 0.00 0.11 -1.26 -5.15 120.40 110.47 2dai s VAL 10 Ca 0.30 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.28 2dai s VAL 10 Cb 0.05 -1.00 0.18 0.00 -1.53 0.00 0.00 36.38 34.08 2dai s VAL 10 CO 0.15 0.00 0.78 -0.70 -3.33 0.00 0.00 175.10 172.00 2dai s GLU 11 N -0.02 0.43 -0.49 1.54 2.56 -1.26 -5.12 118.70 116.34 2dai s GLU 11 Ca 0.03 0.83 -0.23 0.00 0.00 0.00 0.00 54.97 55.61 2dai s GLU 11 Cb -0.04 0.47 0.04 0.00 2.00 0.00 0.00 34.13 36.59 2dai s GLU 11 CO -0.07 -0.40 0.79 -0.51 -0.56 0.00 0.00 175.26 174.52 2dai s LEU 12 N 2.85 4.34 -0.10 2.70 1.43 -1.26 -5.00 118.68 123.65 2dai s LEU 12 Ca 0.09 -0.33 -0.22 0.00 -1.03 0.00 0.00 54.13 52.65 2dai s LEU 12 Cb -0.12 -2.82 0.05 0.00 0.03 0.00 0.00 46.19 43.32 2dai s LEU 12 CO -0.17 -0.99 0.53 0.72 0.23 0.00 0.00 176.35 176.66 2dai s PHE 13 N 3.34 -0.50 0.08 0.29 -0.12 -1.26 -5.08 117.98 114.73 2dai s PHE 13 Ca 0.27 1.01 0.00 0.00 -0.05 0.00 0.00 56.93 58.16 2dai s PHE 13 Cb -0.13 0.25 0.00 0.00 -0.63 0.00 0.00 43.02 42.50 2dai s PHE 13 CO 0.20 -0.43 0.00 1.17 -0.05 0.00 0.00 175.22 176.11 2dai n LYS 14 N 1.70 0.00 -2.56 1.99 0.00 -1.26 -5.09 118.16 112.94 2dai n LYS 14 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 58.31 58.12 2dai n LYS 14 Cb 0.56 -0.27 0.01 0.00 0.00 0.00 0.00 35.03 35.33 2dai n LYS 14 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2dai n LYS 15 N -3.13 -0.96 -3.18 1.64 4.01 -1.26 -4.96 118.16 110.31 2dai n LYS 15 Ca 0.00 1.09 -0.38 0.00 -0.51 0.00 0.00 58.31 58.51 2dai n LYS 15 Cb 0.00 -4.36 -0.02 0.00 -0.51 0.00 0.00 35.03 30.13 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 -1.66 4.73 -3.15 7.82 0.00 -1.26 -4.88 120.51 122.11 2dai n ALA 16 Ca -0.01 -4.78 0.05 0.00 0.00 0.00 0.00 53.44 48.71 2dai n ALA 16 Cb 0.51 -1.89 -0.01 0.00 0.00 0.00 0.00 19.45 18.06 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 -1.75 -0.54 -0.30 0.00 2.47 -1.26 -5.15 114.94 108.41 2dai s ASN 17 Ca 0.33 0.32 -0.18 0.00 0.42 0.00 0.00 52.86 53.75 2dai s ASN 17 Cb 0.06 1.44 0.19 0.00 -1.45 0.00 0.00 41.25 41.49 2dai s ASN 17 CO 0.05 -0.10 1.20 0.00 -3.72 0.00 0.00 177.10 174.52 2dai s ALA 18 N 2.95 -3.11 -0.34 1.71 0.00 -1.26 -5.13 121.76 116.57 2dai s ALA 18 Ca 0.02 1.87 0.03 0.00 0.00 0.00 0.00 51.96 53.88 2dai s ALA 18 Cb -0.10 -2.22 0.10 0.00 0.00 0.00 0.00 23.12 20.90 2dai s ALA 18 CO -0.13 -0.97 0.08 -1.64 0.00 0.00 0.00 175.76 173.10 2dai s MET 19 N 2.18 1.31 -0.30 0.00 -1.94 -1.26 -5.03 119.30 114.27 2dai s MET 19 Ca -0.00 -1.72 -0.15 0.00 -1.71 0.00 0.00 55.69 52.10 2dai s MET 19 Cb -0.02 -2.90 0.18 0.00 2.01 0.00 0.00 34.83 34.09 2dai s MET 19 CO -0.17 -0.96 1.10 -0.51 -0.01 0.00 0.00 175.02 174.47 2dai s LEU 20 N 1.00 -0.37 -0.51 -0.03 1.43 -1.26 -5.10 118.68 113.84 2dai s LEU 20 Ca 0.11 0.35 -0.28 0.00 -1.03 0.00 0.00 54.13 53.28 2dai s LEU 20 Cb -0.19 1.36 -0.10 0.00 0.03 0.00 0.00 46.19 47.29 2dai s LEU 20 CO -0.12 -0.07 2.40 0.47 0.23 0.00 0.00 176.35 179.27 2dai n ASP 21 N 5.15 2.12 -4.43 2.29 8.00 -1.26 -4.90 116.55 123.52 2dai n ASP 21 Ca -0.08 -0.18 -0.22 0.00 0.71 0.00 0.00 54.79 55.03 2dai n ASP 21 Cb 0.54 -1.44 -0.10 0.00 -0.02 0.00 0.00 41.12 40.10 2dai n ASP 21 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2dai s GLU 22 N 7.84 1.55 0.81 -1.24 2.02 -1.26 -5.11 118.70 123.32 2dai s GLU 22 Ca 1.06 -1.73 -0.16 0.00 0.02 0.00 0.00 54.97 54.16 2dai s GLU 22 Cb -0.46 -1.45 -0.07 0.00 0.10 0.00 0.00 34.13 32.26 2dai s GLU 22 CO 0.34 0.22 0.04 -3.47 0.02 0.00 0.00 175.26 172.40 2dai n ASP 23 N -0.55 -3.09 -4.50 -0.19 2.03 -1.26 -4.81 116.55 104.18 2dai n ASP 23 Ca -0.06 0.43 -0.39 0.00 0.52 0.00 0.00 54.79 55.29 2dai n ASP 23 Cb 0.61 -1.03 0.03 0.00 -0.72 0.00 0.00 41.12 40.01 2dai n ASP 23 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2dai n GLU 24 N 0.28 0.68 -0.85 -0.67 2.13 -1.26 -4.91 120.64 116.04 2dai n GLU 24 Ca 0.06 0.26 -0.00 0.00 0.66 0.00 0.00 57.16 58.13 2dai n GLU 24 Cb 0.52 -1.77 -0.01 0.00 0.27 0.00 0.00 31.44 30.45 2dai n GLU 24 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2dai n ASP 25 N 0.49 0.06 -2.26 4.31 -0.08 -1.26 -5.07 116.55 112.74 2dai n ASP 25 Ca 0.12 -1.76 -0.01 0.00 -1.51 0.00 0.00 54.79 51.62 2dai n ASP 25 Cb 0.45 -0.08 -0.01 0.00 2.34 0.00 0.00 41.12 43.82 2dai n ASP 25 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2dai n GLU 26 N 0.13 -2.43 -4.17 -0.67 1.02 -1.26 -5.05 120.64 108.21 2dai n GLU 26 Ca -0.04 2.08 -0.30 0.00 -0.02 0.00 0.00 57.16 58.88 2dai n GLU 26 Cb 0.77 -3.76 -0.08 0.00 -0.02 0.00 0.00 31.44 28.34 2dai n GLU 26 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2dai s ARG 27 N -0.98 2.53 1.00 3.49 3.52 -1.26 -5.09 118.95 122.16 2dai s ARG 27 Ca -0.05 -0.83 -0.18 0.00 -0.13 0.00 0.00 55.73 54.55 2dai s ARG 27 Cb 0.00 -2.53 -0.10 0.00 -1.56 0.00 0.00 34.95 30.77 2dai s ARG 27 CO 0.50 0.55 -0.60 0.28 -0.81 0.00 0.00 175.30 175.22 2dai n VAL 28 N 0.72 0.00 -2.88 7.11 0.31 -1.26 -4.86 118.33 117.47 2dai n VAL 28 Ca -0.12 -0.34 -0.41 0.00 -0.01 0.00 0.00 64.34 63.47 2dai n VAL 28 Cb 0.52 -0.18 -0.04 0.00 -0.91 0.00 0.00 33.84 33.23 2dai n VAL 28 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dai s ASP 29 N -1.29 7.25 -0.03 4.52 -1.08 -1.26 -4.96 116.67 119.82 2dai s ASP 29 Ca 0.44 1.50 -0.19 0.00 -0.52 0.00 0.00 52.55 53.78 2dai s ASP 29 Cb -0.14 -2.50 -0.32 0.00 -1.46 0.00 0.00 42.92 38.50 2dai s ASP 29 CO 0.76 -0.11 0.88 1.05 0.52 0.00 0.00 175.17 178.27 2dai h GLU 30 N 6.23 0.36 -0.36 4.34 4.11 -1.98 -2.36 114.58 124.92 2dai h GLU 30 Ca -0.42 -0.62 0.08 0.00 0.07 0.00 0.00 59.36 58.47 2dai h GLU 30 Cb 1.21 0.23 -0.09 0.00 0.50 0.00 0.00 28.75 30.60 2dai h GLU 30 CO 0.73 1.30 -0.32 0.00 0.07 0.00 0.00 179.01 180.79 2dai h ALA 31 N 0.09 -0.19 0.43 1.06 0.00 -2.00 0.34 119.26 118.99 2dai h ALA 31 Ca -0.19 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2dai h ALA 31 Cb 1.80 0.68 0.00 0.00 0.00 0.00 0.00 17.79 20.27 2dai h ALA 31 CO 0.18 -0.72 -0.20 0.00 0.00 0.00 0.00 179.25 178.50 2dai h ALA 32 N 0.74 -0.57 -0.99 0.00 0.00 -1.96 -2.70 119.26 113.78 2dai h ALA 32 Ca 0.16 -0.17 0.33 0.00 0.00 0.00 0.00 54.91 55.23 2dai h ALA 32 Cb 0.53 0.22 -0.18 0.00 0.00 0.00 0.00 17.79 18.36 2dai h ALA 32 CO -0.51 -0.73 0.24 1.25 0.00 0.00 0.00 179.25 179.50 2dai h LEU 33 N -0.75 -0.13 -0.02 0.00 5.85 -0.81 1.01 115.31 120.45 2dai h LEU 33 Ca -0.06 0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.95 2dai h LEU 33 Cb 0.53 0.39 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 2dai h LEU 33 CO 0.10 -0.38 -0.11 -0.09 -0.34 0.00 0.00 178.44 177.62 2dai h ARG 34 N 0.02 -0.17 -0.68 1.25 2.43 -0.03 0.23 114.38 117.42 2dai h ARG 34 Ca 0.70 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 60.03 2dai h ARG 34 Cb 1.63 0.04 -0.11 0.00 -0.42 0.00 0.00 29.97 31.12 2dai h ARG 34 CO -0.85 -0.12 0.10 1.96 -1.51 0.00 0.00 179.97 179.55 2dai h GLN 35 N -0.18 0.20 0.19 0.20 4.20 0.12 1.40 115.11 121.24 2dai h GLN 35 Ca 0.05 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2dai h GLN 35 Cb 0.24 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2dai h GLN 35 CO -0.13 0.13 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.00 2dai h LEU 36 N 0.20 -0.21 -1.76 1.46 3.38 -0.70 0.91 115.31 118.60 2dai h LEU 36 Ca 0.37 0.01 0.37 0.00 0.09 0.00 0.00 57.88 58.72 2dai h LEU 36 Cb 0.62 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.35 2dai h LEU 36 CO -0.52 -0.12 0.89 0.71 0.09 0.00 0.00 178.44 179.49 2dai h THR 37 N -0.31 0.33 -0.10 0.22 1.35 -0.24 1.47 112.91 115.62 2dai h THR 37 Ca -0.03 -0.04 -0.19 0.00 -0.55 0.00 0.00 66.41 65.61 2dai h THR 37 Cb 0.19 0.22 -0.00 0.00 -1.73 0.00 0.00 68.15 66.83 2dai h THR 37 CO 0.04 0.02 -0.71 -0.33 -0.25 0.00 0.00 175.52 174.29 2dai h GLU 38 N 0.10 0.49 0.57 4.72 5.08 0.20 -3.33 114.58 122.42 2dai h GLU 38 Ca 0.66 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 2dai h GLU 38 Cb 2.35 0.08 0.01 0.00 0.50 0.00 0.00 28.75 31.68 2dai h GLU 38 CO -0.14 1.01 -0.28 0.52 -1.00 0.00 0.00 179.01 179.13 2dai h MET 39 N 0.34 -0.74 0.00 2.33 2.86 0.46 -3.47 114.93 116.70 2dai h MET 39 Ca -0.03 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2dai h MET 39 Cb 1.29 0.17 0.00 0.00 0.06 0.00 0.00 31.60 33.12 2dai h MET 39 CO 0.13 -0.49 0.00 0.41 1.06 0.00 0.00 176.91 178.01 2dai n GLY 40 N -0.66 -1.37 3.09 8.32 0.00 -0.56 -5.10 105.19 108.91 2dai n GLY 40 Ca -0.10 0.43 -0.11 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 0.09 0.10 1.61 0.08 -1.23 -5.02 117.98 113.61 2dai s PHE 41 Ca 0.00 -0.24 -0.30 0.00 0.12 0.00 0.00 56.93 56.51 2dai s PHE 41 Cb 0.00 -0.08 -0.06 0.00 -0.57 0.00 0.00 43.02 42.31 2dai s PHE 41 CO 0.00 -0.29 1.15 -1.25 -0.10 0.00 0.00 175.22 174.73 2dai s PRO 42 N -1.58 4.49 0.19 0.24 0.04 -1.26 -4.11 135.00 133.02 2dai s PRO 42 Ca -0.14 1.73 -0.18 0.00 0.04 0.00 0.00 61.00 62.46 2dai s PRO 42 Cb -0.07 -3.33 0.15 0.00 0.04 0.00 0.00 34.50 31.29 2dai s PRO 42 CO 0.00 -0.13 1.61 1.49 0.04 0.00 0.00 177.00 180.02 2dai h GLU 43 N 6.17 -0.11 -0.64 4.56 4.81 -1.96 0.96 114.58 128.38 2dai h GLU 43 Ca -0.43 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.87 2dai h GLU 43 Cb 1.21 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 30.53 2dai h GLU 43 CO 0.77 -0.07 -0.46 -2.95 -0.73 0.00 0.00 179.01 175.57 2dai h ASN 44 N -0.11 -1.66 0.73 1.04 -1.07 -1.99 1.49 115.58 114.02 2dai h ASN 44 Ca 0.24 0.24 -0.04 0.00 0.07 0.00 0.00 56.30 56.82 2dai h ASN 44 Cb 0.49 0.72 0.01 0.00 -2.07 0.00 0.00 38.32 37.46 2dai h ASN 44 CO -0.60 -0.23 -0.35 0.03 0.07 0.00 0.00 177.43 176.35 2dai h ARG 45 N -0.10 -0.94 -1.00 4.14 3.08 -1.67 -1.87 114.38 116.02 2dai h ARG 45 Ca 0.10 0.06 0.25 0.00 0.07 0.00 0.00 59.98 60.47 2dai h ARG 45 Cb 0.38 0.21 -0.19 0.00 0.08 0.00 0.00 29.97 30.45 2dai h ARG 45 CO -0.66 -0.61 -0.08 0.00 -1.07 0.00 0.00 179.97 177.55 2dai n ALA 46 N -2.63 0.41 0.38 0.04 0.00 0.32 0.16 120.51 119.19 2dai n ALA 46 Ca -0.13 1.08 -0.17 0.00 0.00 0.00 0.00 53.44 54.22 2dai n ALA 46 Cb 0.40 -0.73 -0.08 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.59 0.00 2.02 0.22 0.19 112.91 114.75 2dai h THR 47 Ca 0.56 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.84 2dai h THR 47 Cb 1.05 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.35 2dai h THR 47 CO -0.97 0.00 -0.33 0.50 0.37 0.00 0.00 175.52 175.09 2dai h LYS 48 N -1.04 -0.15 0.05 6.66 3.64 0.20 0.12 116.57 126.05 2dai h LYS 48 Ca -0.09 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2dai h LYS 48 Cb 0.82 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.63 2dai h LYS 48 CO 0.11 -0.10 -0.48 0.00 -2.27 0.00 0.00 179.45 176.71 2dai h ALA 49 N 1.02 -0.83 -0.92 5.00 0.00 -0.11 0.12 119.26 123.54 2dai h ALA 49 Ca 0.24 -0.08 0.26 0.00 0.00 0.00 0.00 54.91 55.33 2dai h ALA 49 Cb 0.55 0.83 -0.15 0.00 0.00 0.00 0.00 17.79 19.01 2dai h ALA 49 CO -0.68 -1.04 0.25 -0.07 0.00 0.00 0.00 179.25 177.71 2dai h LEU 50 N -0.66 -0.02 -1.03 0.00 3.38 0.11 1.87 115.31 118.96 2dai h LEU 50 Ca 0.02 0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 2dai h LEU 50 Cb 0.71 0.30 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 2dai h LEU 50 CO -0.31 -0.21 0.22 1.56 0.09 0.00 0.00 178.44 179.79 2dai h GLN 51 N 0.16 0.91 -0.61 1.13 4.20 0.12 0.98 115.11 122.01 2dai h GLN 51 Ca 0.60 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 59.15 2dai h GLN 51 Cb 1.27 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.90 2dai h GLN 51 CO -0.71 0.77 0.00 1.28 -0.67 0.00 0.00 178.83 179.50 2dai n LEU 52 N -4.30 3.58 -1.70 1.46 4.77 0.52 -3.87 117.00 117.45 2dai n LEU 52 Ca 0.05 -1.80 -0.02 0.00 -0.03 0.00 0.00 56.01 54.21 2dai n LEU 52 Cb 0.19 -0.47 0.07 0.00 -2.33 0.00 0.00 43.42 40.88 2dai n LEU 52 CO 0.40 0.69 0.14 0.59 -1.33 0.00 0.00 177.39 177.87 2dai n ASN 53 N 0.94 2.03 -2.54 -1.43 3.02 0.50 -4.95 115.26 112.84 2dai n ASN 53 Ca 0.20 -2.79 -0.03 0.00 -0.03 0.00 0.00 54.58 51.92 2dai n ASN 53 Cb 0.65 -0.41 -0.01 0.00 -0.61 0.00 0.00 39.78 39.40 2dai n ASN 53 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2dai n HIS 54 N -0.39 -1.81 -2.74 3.10 -0.00 -1.00 0.12 115.22 112.50 2dai n HIS 54 Ca 0.16 0.05 -0.10 0.00 0.46 0.00 0.00 57.72 58.30 2dai n HIS 54 Cb 0.92 -1.01 0.05 0.00 -0.12 0.00 0.00 29.99 29.83 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 -2.47 -2.49 -4.51 1.57 2.81 0.32 -5.03 117.12 107.32 2dai n MET 55 Ca 0.01 0.56 -0.34 0.00 -1.81 0.00 0.00 57.70 56.12 2dai n MET 55 Cb 0.47 -4.45 -0.11 0.00 -0.71 0.00 0.00 33.22 28.41 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 -3.48 4.79 -0.02 7.83 0.01 0.33 -5.01 113.70 118.14 2dai s SER 56 Ca 0.19 -0.04 -0.22 0.00 1.31 0.00 0.00 55.95 57.19 2dai s SER 56 Cb -0.02 -1.44 -0.23 0.00 0.21 0.00 0.00 66.02 64.53 2dai s SER 56 CO 0.48 0.30 1.07 0.58 0.41 0.00 0.00 173.24 176.07 2dai h VAL 57 N 4.56 1.48 0.16 3.43 2.07 -1.91 -2.87 116.25 123.18 2dai h VAL 57 Ca -0.43 -1.99 -0.01 0.00 0.82 0.00 0.00 66.70 65.10 2dai h VAL 57 Cb 1.18 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.61 2dai h VAL 57 CO 0.56 0.56 -0.08 1.55 0.02 0.00 0.00 177.57 180.19 2dai h PRO 58 N -0.30 -0.21 -0.96 1.57 0.13 -1.97 -3.21 132.00 127.05 2dai h PRO 58 Ca -0.05 0.01 0.20 0.00 -0.87 0.00 0.00 66.00 65.29 2dai h PRO 58 Cb 1.14 0.05 -0.18 0.00 0.13 0.00 0.00 31.00 32.14 2dai h PRO 58 CO 0.08 -0.14 -0.21 1.96 -0.23 0.00 0.00 178.00 179.46 2dai h GLN 59 N -0.69 0.00 -0.65 0.86 1.08 -1.93 0.87 115.11 114.65 2dai h GLN 59 Ca -0.02 -0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.31 2dai h GLN 59 Cb 0.16 -0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.47 2dai h GLN 59 CO 0.04 0.00 -0.18 0.00 -0.95 0.00 0.00 178.83 177.74 2dai h ALA 60 N 1.96 0.39 -0.24 3.87 0.00 -1.62 -0.19 119.26 123.43 2dai h ALA 60 Ca 0.47 0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.66 2dai h ALA 60 Cb 0.76 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 2dai h ALA 60 CO -0.98 -0.44 -0.29 1.98 0.00 0.00 0.00 179.25 179.52 2dai h MET 61 N -0.02 -0.18 -0.44 0.00 -1.53 0.78 0.90 114.93 114.44 2dai h MET 61 Ca 0.31 0.01 0.09 0.00 -3.44 0.00 0.00 59.70 56.67 2dai h MET 61 Cb 0.49 0.04 -0.09 0.00 -0.55 0.00 0.00 31.60 31.48 2dai h MET 61 CO -0.67 -0.12 -0.21 0.93 0.14 0.00 0.00 176.91 176.97 2dai h GLU 62 N -0.19 -0.12 -0.95 0.39 4.39 -1.17 0.82 114.58 117.75 2dai h GLU 62 Ca 0.04 0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.90 2dai h GLU 62 Cb 0.30 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 28.88 2dai h GLU 62 CO -0.32 -0.08 0.56 2.35 -1.16 0.00 0.00 179.01 180.36 2dai h TRP 63 N -0.12 1.00 -0.40 4.33 7.01 0.03 0.99 115.95 128.79 2dai h TRP 63 Ca 0.21 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 61.13 2dai h TRP 63 Cb 0.45 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.19 2dai h TRP 63 CO -0.46 0.29 -0.21 -0.07 -2.79 0.00 0.00 178.44 175.20 2dai h LEU 64 N 0.79 0.81 -0.88 0.65 3.38 0.52 0.87 115.31 121.45 2dai h LEU 64 Ca 0.51 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 2dai h LEU 64 Cb 0.68 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2dai h LEU 64 CO -0.34 0.99 -0.32 0.40 0.09 0.00 0.00 178.44 179.27 2dai h ILE 65 N 0.70 1.28 0.00 1.22 2.04 0.49 0.34 117.51 123.58 2dai h ILE 65 Ca 0.10 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.57 2dai h ILE 65 Cb 0.72 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 2dai h ILE 65 CO 0.06 0.43 0.00 -0.62 0.00 0.00 0.00 178.15 178.02 2dai n GLU 66 N -4.08 0.00 0.06 2.37 -0.58 0.30 -3.88 120.64 114.82 2dai n GLU 66 Ca -0.01 0.45 0.20 0.00 -0.42 0.00 0.00 57.16 57.39 2dai n GLU 66 Cb 0.45 -0.95 0.61 0.00 -0.57 0.00 0.00 31.44 30.97 2dai n GLU 66 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2dai h HIS 67 N 0.00 0.00 -0.99 -0.32 3.86 0.64 -0.36 115.15 117.98 2dai h HIS 67 Ca 0.00 0.00 0.21 0.00 -1.16 0.00 0.00 60.37 59.42 2dai h HIS 67 Cb 0.00 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 28.28 2dai h HIS 67 CO 0.00 0.00 -0.21 0.00 0.86 0.00 0.00 177.93 178.58 2dai h ALA 68 N 1.07 0.73 -1.84 2.45 0.00 -1.03 0.68 119.26 121.32 2dai h ALA 68 Ca 0.24 0.38 -0.71 0.00 0.00 0.00 0.00 54.91 54.82 2dai h ALA 68 Cb 1.63 0.73 -0.34 0.00 0.00 0.00 0.00 17.79 19.81 2dai h ALA 68 CO -0.00 -0.41 0.23 0.39 0.00 0.00 0.00 179.25 179.46 2dai n GLU 69 N -5.60 4.13 -4.30 0.00 1.02 -0.15 -4.86 120.64 110.88 2dai n GLU 69 Ca 0.17 -4.70 -0.16 0.00 -0.02 0.00 0.00 57.16 52.45 2dai n GLU 69 Cb 0.54 -2.38 -0.10 0.00 -0.02 0.00 0.00 31.44 29.48 2dai n GLU 69 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2dai s ASP 70 N -2.24 1.31 -0.07 1.62 1.11 0.23 -5.06 116.67 113.58 2dai s ASP 70 Ca 0.40 -1.31 -0.14 0.00 0.18 0.00 0.00 52.55 51.68 2dai s ASP 70 Cb 0.18 0.13 -0.10 0.00 1.07 0.00 0.00 42.92 44.19 2dai s ASP 70 CO -0.06 -0.66 0.56 1.55 1.18 0.00 0.00 175.17 177.73 2dai h PRO 71 N 2.46 -0.24 -0.97 8.23 0.13 -1.86 -2.36 132.00 137.40 2dai h PRO 71 Ca -0.38 0.02 0.15 0.00 -0.87 0.00 0.00 66.00 64.91 2dai h PRO 71 Cb 1.23 0.05 -0.15 0.00 0.13 0.00 0.00 31.00 32.26 2dai h PRO 71 CO 0.62 0.04 -0.39 0.25 -0.23 0.00 0.00 178.00 178.30 2dai n THR 72 N -4.93 -0.52 -0.04 1.56 -2.24 -1.26 0.79 114.28 107.65 2dai n THR 72 Ca -0.06 2.27 -0.10 0.00 -2.27 0.00 0.00 64.05 63.89 2dai n THR 72 Cb 0.20 -2.99 -0.04 0.00 -2.10 0.00 0.00 70.33 65.40 2dai n THR 72 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2dai h ILE 73 N 0.00 1.08 0.00 2.28 2.04 -1.82 -3.45 117.51 117.64 2dai h ILE 73 Ca 0.33 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 66.00 2dai h ILE 73 Cb 0.57 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2dai h ILE 73 CO -0.96 0.07 0.00 -0.67 0.00 0.00 0.00 178.15 176.59 2dai n ASP 74 N -4.94 0.00 -4.76 1.72 2.03 0.24 -5.06 116.55 105.77 2dai n ASP 74 Ca -0.04 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.88 2dai n ASP 74 Cb 0.05 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.48 2dai n ASP 74 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2dai s THR 75 N 0.00 2.04 0.00 5.18 2.01 -1.05 -4.36 115.64 119.46 2dai s THR 75 Ca 0.00 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.03 2dai s THR 75 Cb 0.00 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.49 2dai s THR 75 CO 0.00 0.00 0.00 -0.81 -0.69 0.00 0.00 174.62 173.12 2dai n PRO 76 N -0.50 0.45 -4.62 4.92 -0.04 -1.26 -5.02 135.00 128.93 2dai n PRO 76 Ca 0.07 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.25 2dai n PRO 76 Cb 0.43 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.78 2dai n PRO 76 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dai s LEU 77 N 0.00 2.86 -0.03 1.53 1.43 -1.26 -5.07 118.68 118.14 2dai s LEU 77 Ca 0.00 -1.38 -0.37 0.00 -1.03 0.00 0.00 54.13 51.36 2dai s LEU 77 Cb 0.00 -0.89 -0.15 0.00 0.03 0.00 0.00 46.19 45.18 2dai s LEU 77 CO 0.00 -0.46 1.57 -0.24 0.23 0.00 0.00 176.35 177.45 2dai n SER 78 N -0.97 2.37 -1.40 2.29 2.88 -1.26 -4.95 113.62 112.58 2dai n SER 78 Ca -0.05 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 2dai n SER 78 Cb 0.67 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 2dai n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dai n GLY 79 N 3.41 4.94 3.73 0.46 0.00 -1.26 -5.12 105.19 111.37 2dai n GLY 79 Ca 0.21 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.29 4.56 -0.30 1.61 0.04 -1.26 -5.02 135.00 133.34 2dai s PRO 80 Ca 0.00 1.75 -0.05 0.00 0.04 0.00 0.00 61.00 62.74 2dai s PRO 80 Cb 0.00 -3.28 0.18 0.00 0.04 0.00 0.00 34.50 31.44 2dai s PRO 80 CO 0.00 0.01 0.71 -1.54 0.04 0.00 0.00 177.00 176.22 2dai s SER 81 N 0.07 -1.14 0.89 6.66 1.04 -1.26 -5.16 113.70 114.81 2dai s SER 81 Ca 0.51 0.87 -0.12 0.00 0.48 0.00 0.00 55.95 57.69 2dai s SER 81 Cb -0.30 2.02 0.09 0.00 0.10 0.00 0.00 66.02 67.93 2dai s SER 81 CO 0.35 -0.21 0.89 -1.20 0.98 0.00 0.00 173.24 174.04 2dai n SER 82 N 5.41 -0.37 0.00 7.02 7.64 -1.26 -5.31 113.62 126.75 2dai n SER 82 Ca -0.04 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.28 2dai n SER 82 Cb 0.51 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 2dai n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64