#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nei n GLY 2 N 0.00 -0.06 3.87 3.03 0.00 -1.26 -5.18 105.19 105.60 1nei n GLY 2 Ca 0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 1nei n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nei s LYS 3 N 0.00 2.56 -0.63 1.61 3.01 -1.26 -5.08 119.74 119.95 1nei s LYS 3 Ca 0.00 -1.50 -0.08 0.00 -1.01 0.00 0.00 55.97 53.38 1nei s LYS 3 Cb 0.00 -2.39 0.16 0.00 -1.01 0.00 0.00 37.83 34.59 1nei s LYS 3 CO 0.00 -0.16 0.50 0.00 0.51 0.00 0.00 175.35 176.20 1nei s ALA 4 N -2.45 3.66 0.09 5.17 0.00 -1.26 -5.03 121.76 121.93 1nei s ALA 4 Ca 0.47 -3.04 -0.05 0.00 0.00 0.00 0.00 51.96 49.34 1nei s ALA 4 Cb -0.04 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 1nei s ALA 4 CO 0.28 -2.09 0.10 0.95 0.00 0.00 0.00 175.76 175.00 1nei s THR 5 N 0.47 0.16 -0.01 0.00 -4.23 -1.26 -4.72 115.64 106.05 1nei s THR 5 Ca 0.13 -1.52 0.02 0.00 -1.18 0.00 0.00 61.69 59.14 1nei s THR 5 Cb -0.19 -1.53 -0.00 0.00 1.34 0.00 0.00 72.50 72.11 1nei s THR 5 CO -0.04 -0.73 -0.05 -0.31 -0.54 0.00 0.00 174.62 172.95 1nei s TYR 6 N -3.91 0.48 -0.32 3.99 1.51 -0.95 -4.91 117.35 113.23 1nei s TYR 6 Ca 0.09 -0.09 -0.04 0.00 -1.01 0.00 0.00 57.07 56.01 1nei s TYR 6 Cb 0.06 -0.33 0.05 0.00 -0.11 0.00 0.00 41.96 41.62 1nei s TYR 6 CO -0.08 -0.03 0.06 0.99 -1.11 0.00 0.00 175.55 175.38 1nei s THR 7 N -0.00 3.43 -0.20 -0.71 2.01 -1.26 -0.29 115.64 118.61 1nei s THR 7 Ca 0.00 -1.27 -0.09 0.00 0.31 0.00 0.00 61.69 60.65 1nei s THR 7 Cb -0.03 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 1nei s THR 7 CO -0.00 -0.16 0.10 -0.69 -0.69 0.00 0.00 174.62 173.18 1nei s VAL 8 N 1.33 5.02 -0.15 3.82 1.01 -0.66 -4.97 120.40 125.81 1nei s VAL 8 Ca -0.03 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1nei s VAL 8 Cb -0.20 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.90 1nei s VAL 8 CO 0.01 0.42 -0.21 -0.89 0.00 0.00 0.00 175.10 174.43 1nei s THR 9 N 0.61 2.01 -0.17 3.92 2.01 -1.26 -0.08 115.64 122.68 1nei s THR 9 Ca 0.05 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.12 1nei s THR 9 Cb -0.13 -1.79 0.02 0.00 0.01 0.00 0.00 72.50 70.61 1nei s THR 9 CO 0.01 0.54 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.60 1nei s VAL 10 N 0.98 1.96 0.03 3.82 1.01 0.19 -4.97 120.40 123.42 1nei s VAL 10 Ca -0.03 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1nei s VAL 10 Cb -0.15 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1nei s VAL 10 CO -0.05 0.52 -0.16 -0.89 0.00 0.00 0.00 175.10 174.52 1nei s THR 11 N 1.31 1.29 -0.26 3.92 2.01 -1.26 -0.39 115.64 122.26 1nei s THR 11 Ca 0.05 -0.97 -0.11 0.00 0.31 0.00 0.00 61.69 60.96 1nei s THR 11 Cb -0.13 -1.13 -0.05 0.00 0.01 0.00 0.00 72.50 71.20 1nei s THR 11 CO -0.12 0.14 0.21 0.20 -0.69 0.00 0.00 174.62 174.36 1nei s ASN 12 N -0.96 6.10 0.23 3.53 -0.87 0.46 -4.93 114.94 118.50 1nei s ASN 12 Ca 0.04 0.09 0.25 0.00 -1.57 0.00 0.00 52.86 51.68 1nei s ASN 12 Cb -0.08 -2.13 0.60 0.00 -0.02 0.00 0.00 41.25 39.62 1nei s ASN 12 CO 0.01 -0.02 1.62 0.78 -2.57 0.00 0.00 177.10 176.92 1nei h ASN 13 N 7.99 0.00 0.51 -1.22 2.35 -1.93 2.51 115.58 125.79 1nei h ASN 13 Ca -0.36 -0.04 -0.30 0.00 -0.55 0.00 0.00 56.30 55.05 1nei h ASN 13 Cb 1.18 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.55 1nei h ASN 13 CO 0.61 0.02 -1.44 -1.28 -1.65 0.00 0.00 177.43 173.69 1nei h SER 14 N 0.00 0.41 0.00 5.81 0.87 -1.97 -3.35 113.55 115.33 1nei h SER 14 Ca 0.00 -0.52 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 1nei h SER 14 Cb 0.80 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1nei h SER 14 CO 0.00 1.42 -0.56 -3.20 -0.53 0.00 0.00 176.83 173.96 1nei n ASN 15 N -3.48 0.68 -1.32 6.23 5.15 -1.22 -4.98 115.26 116.32 1nei n ASN 15 Ca -0.14 -0.66 -0.15 0.00 -0.60 0.00 0.00 54.58 53.03 1nei n ASN 15 Cb 1.04 1.05 -0.05 0.00 -0.53 0.00 0.00 39.78 41.28 1nei n ASN 15 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1nei n GLY 16 N 1.30 1.10 3.65 8.20 0.00 0.84 -4.96 105.19 115.31 1nei n GLY 16 Ca 0.01 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 1nei n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nei s VAL 17 N -2.62 5.04 -0.05 1.61 1.01 -0.64 -4.80 120.40 119.95 1nei s VAL 17 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.05 1nei s VAL 17 Cb 0.00 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1nei s VAL 17 CO 0.00 0.11 -0.03 -0.94 0.00 0.00 0.00 175.10 174.24 1nei s SER 18 N 1.30 4.93 -0.19 3.32 1.04 -1.26 0.17 113.70 123.01 1nei s SER 18 Ca 0.26 0.02 -0.08 0.00 0.48 0.00 0.00 55.95 56.63 1nei s SER 18 Cb -0.16 -1.29 0.08 0.00 0.10 0.00 0.00 66.02 64.75 1nei s SER 18 CO 0.09 0.34 0.44 -0.69 0.98 0.00 0.00 173.24 174.40 1nei s VAL 19 N -0.91 -0.38 0.06 5.02 1.01 0.48 -4.96 120.40 120.72 1nei s VAL 19 Ca 0.15 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.34 1nei s VAL 19 Cb -0.11 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 1nei s VAL 19 CO 0.04 0.05 -0.22 -1.81 0.00 0.00 0.00 175.10 173.16 1nei s ASP 20 N 2.09 3.53 -0.03 3.32 1.11 -1.26 0.53 116.67 125.96 1nei s ASP 20 Ca -0.05 -0.53 -0.00 0.00 0.18 0.00 0.00 52.55 52.14 1nei s ASP 20 Cb -0.10 -0.45 0.03 0.00 1.07 0.00 0.00 42.92 43.47 1nei s ASP 20 CO -0.13 0.24 0.04 -0.31 1.18 0.00 0.00 175.17 176.19 1nei s TYR 21 N -0.92 0.03 -0.39 4.23 1.51 0.89 -4.99 117.35 117.72 1nei s TYR 21 Ca 0.14 0.16 -0.22 0.00 -1.01 0.00 0.00 57.07 56.14 1nei s TYR 21 Cb -0.10 -0.28 0.01 0.00 -0.11 0.00 0.00 41.96 41.48 1nei s TYR 21 CO 0.05 -0.11 0.72 -2.00 -1.11 0.00 0.00 175.55 173.10 1nei s GLU 22 N 1.28 3.61 -0.05 -0.62 2.12 -1.26 -1.65 118.70 122.14 1nei s GLU 22 Ca -0.06 0.07 -0.01 0.00 0.36 0.00 0.00 54.97 55.33 1nei s GLU 22 Cb -0.13 -3.85 0.03 0.00 0.26 0.00 0.00 34.13 30.44 1nei s GLU 22 CO -0.03 -0.88 0.02 -0.08 -0.54 0.00 0.00 175.26 173.75 1nei s THR 23 N 2.98 0.17 -0.74 -1.70 -1.32 0.60 -4.99 115.64 110.64 1nei s THR 23 Ca 0.28 0.21 -0.21 0.00 -1.21 0.00 0.00 61.69 60.76 1nei s THR 23 Cb -0.13 -0.34 0.09 0.00 -1.51 0.00 0.00 72.50 70.61 1nei s THR 23 CO 0.18 0.20 0.98 -1.83 -2.21 0.00 0.00 174.62 171.94 1nei s GLU 24 N 1.75 3.26 -0.18 7.08 -1.05 -1.26 -2.25 118.70 126.05 1nei s GLU 24 Ca 0.01 -1.19 -0.02 0.00 -0.15 0.00 0.00 54.97 53.61 1nei s GLU 24 Cb -0.13 -4.46 0.05 0.00 -0.44 0.00 0.00 34.13 29.16 1nei s GLU 24 CO -0.03 -1.77 0.01 0.95 0.95 0.00 0.00 175.26 175.37 1nei s THR 25 N 3.45 0.69 0.00 1.83 -4.23 -1.26 -4.90 115.64 111.22 1nei s THR 25 Ca 0.24 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 60.19 1nei s THR 25 Cb -0.14 -1.09 0.00 0.00 1.34 0.00 0.00 72.50 72.61 1nei s THR 25 CO 0.03 -0.10 0.06 -0.81 -0.54 0.00 0.00 174.62 173.26 1nei n PRO 26 N 5.00 0.00 0.14 3.99 -0.04 -1.26 -3.85 135.00 138.97 1nei n PRO 26 Ca -0.09 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.36 1nei n PRO 26 Cb 0.47 -0.35 0.16 0.00 -0.04 0.00 0.00 33.50 33.74 1nei n PRO 26 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1nei h MET 27 N 0.00 0.00 -0.92 0.54 2.86 -2.02 -3.07 114.93 112.32 1nei h MET 27 Ca 0.00 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.84 1nei h MET 27 Cb 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.59 1nei h MET 27 CO 0.00 0.62 0.60 1.79 1.06 0.00 0.00 176.91 180.98 1nei h THR 28 N 0.00 0.68 -0.87 2.22 1.35 -1.93 0.50 112.91 114.86 1nei h THR 28 Ca -0.01 -0.15 0.22 0.00 -0.55 0.00 0.00 66.41 65.92 1nei h THR 28 Cb 1.14 0.20 -0.05 0.00 -1.73 0.00 0.00 68.15 67.70 1nei h THR 28 CO 0.08 0.08 0.60 -0.07 -0.25 0.00 0.00 175.52 175.96 1nei h LEU 29 N 0.44 0.24 0.00 3.87 3.38 -1.64 1.11 115.31 122.71 1nei h LEU 29 Ca 0.48 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.38 1nei h LEU 29 Cb 1.16 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1nei h LEU 29 CO -0.20 0.09 -0.77 -0.07 0.09 0.00 0.00 178.44 177.58 1nei h LEU 30 N 0.23 0.00 -9.76 1.67 3.38 -0.21 -3.43 115.31 107.19 1nei h LEU 30 Ca 0.44 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.88 1nei h LEU 30 Cb 1.34 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.15 1nei h LEU 30 CO -0.11 0.40 0.72 -0.69 0.09 0.00 0.00 178.44 178.85 1nei s VAL 31 N -3.03 2.76 0.02 1.22 1.01 0.38 -4.92 120.40 117.84 1nei s VAL 31 Ca 0.02 0.66 -0.19 0.00 0.00 0.00 0.00 61.98 62.47 1nei s VAL 31 Cb 0.08 -3.42 -0.22 0.00 0.00 0.00 0.00 36.38 32.82 1nei s VAL 31 CO 0.76 0.11 1.15 1.55 0.00 0.00 0.00 175.10 178.67 1nei h PRO 32 N 4.78 0.46 -0.56 2.72 0.13 -1.89 0.32 132.00 137.96 1nei h PRO 32 Ca -0.46 -0.44 0.02 0.00 -0.87 0.00 0.00 66.00 64.25 1nei h PRO 32 Cb 1.22 0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.43 1nei h PRO 32 CO 0.75 1.09 0.37 0.93 -0.23 0.00 0.00 178.00 180.91 1nei h GLU 33 N -0.01 0.66 0.11 0.86 5.08 -1.91 1.99 114.58 121.36 1nei h GLU 33 Ca -0.06 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.06 1nei h GLU 33 Cb 1.27 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 30.37 1nei h GLU 33 CO 0.12 0.44 -0.96 0.28 -1.00 0.00 0.00 179.01 177.88 1nei h VAL 34 N 0.68 1.35 -0.19 3.13 2.07 -1.80 -2.55 116.25 118.93 1nei h VAL 34 Ca 0.22 -2.46 -0.01 0.00 0.82 0.00 0.00 66.70 65.27 1nei h VAL 34 Cb 0.02 3.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 1nei h VAL 34 CO -0.05 0.68 0.08 0.00 0.02 0.00 0.00 177.57 178.30 1nei h ALA 35 N -0.00 0.25 -0.25 1.67 0.00 0.06 0.26 119.26 121.25 1nei h ALA 35 Ca -0.19 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.64 1nei h ALA 35 Cb 1.60 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1nei h ALA 35 CO 0.09 -0.17 0.10 0.00 0.00 0.00 0.00 179.25 179.27 1nei h ALA 36 N 0.93 0.29 -0.44 0.00 0.00 0.30 0.55 119.26 120.90 1nei h ALA 36 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1nei h ALA 36 Cb 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1nei h ALA 36 CO -0.01 -0.31 0.21 1.49 0.00 0.00 0.00 179.25 180.63 1nei h GLU 37 N 0.22 0.62 -0.01 0.00 4.22 -1.20 0.89 114.58 119.32 1nei h GLU 37 Ca 0.11 -0.07 -0.00 0.00 0.08 0.00 0.00 59.36 59.47 1nei h GLU 37 Cb 0.06 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1nei h GLU 37 CO -0.10 0.49 -0.01 0.28 -2.18 0.00 0.00 179.01 177.49 1nei h VAL 38 N 0.62 1.39 -0.39 0.32 2.07 0.68 1.50 116.25 122.44 1nei h VAL 38 Ca 0.16 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 1nei h VAL 38 Cb 0.08 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1nei h VAL 38 CO -0.02 0.30 0.15 0.40 0.02 0.00 0.00 177.57 178.42 1nei h ILE 39 N -0.46 1.20 -0.41 4.57 1.08 0.47 0.12 117.51 124.09 1nei h ILE 39 Ca 0.00 -0.63 -0.14 0.00 -0.39 0.00 0.00 64.86 63.70 1nei h ILE 39 Cb 0.50 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 1nei h ILE 39 CO 0.00 0.22 -0.29 0.50 -0.69 0.00 0.00 178.15 177.89 1nei h LYS 40 N 0.49 0.93 -0.54 2.37 3.11 0.80 -1.22 116.57 122.51 1nei h LYS 40 Ca 0.13 -0.45 0.04 0.00 -2.81 0.00 0.00 60.65 57.56 1nei h LYS 40 Cb 0.21 -0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.39 1nei h LYS 40 CO -0.01 1.10 0.30 0.22 -2.81 0.00 0.00 179.45 178.26 1nei h ASP 41 N 0.75 0.46 0.34 4.20 1.82 0.24 1.73 116.42 125.97 1nei h ASP 41 Ca 0.08 0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.72 1nei h ASP 41 Cb 0.88 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.82 1nei h ASP 41 CO 0.08 0.32 -0.16 -0.07 -1.61 0.00 0.00 179.24 177.80 1nei h LEU 42 N 0.59 -0.38 -0.30 2.28 3.38 -0.61 0.16 115.31 120.44 1nei h LEU 42 Ca 0.23 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1nei h LEU 42 Cb 0.09 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1nei h LEU 42 CO -0.13 -0.18 0.15 0.58 0.09 0.00 0.00 178.44 178.95 1nei h VAL 43 N -0.57 1.00 -0.80 1.22 2.07 -0.83 0.39 116.25 118.73 1nei h VAL 43 Ca -0.05 -0.11 0.11 0.00 0.82 0.00 0.00 66.70 67.48 1nei h VAL 43 Cb 0.42 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 1nei h VAL 43 CO 0.08 0.06 0.52 0.78 0.02 0.00 0.00 177.57 179.02 1nei h ASN 44 N 0.32 0.61 -0.14 0.57 2.35 0.28 0.22 115.58 119.78 1nei h ASN 44 Ca 0.12 0.02 -0.22 0.00 -0.55 0.00 0.00 56.30 55.67 1nei h ASN 44 Cb 0.03 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 38.31 1nei h ASN 44 CO -0.08 0.35 -0.76 0.74 -1.65 0.00 0.00 177.43 176.03 1nei h THR 45 N 0.67 1.28 -0.55 2.81 2.02 0.75 0.99 112.91 120.89 1nei h THR 45 Ca 0.38 -1.97 -0.00 0.00 0.77 0.00 0.00 66.41 65.59 1nei h THR 45 Cb 0.55 2.02 -0.03 0.00 -1.74 0.00 0.00 68.15 68.95 1nei h THR 45 CO -0.15 0.62 0.33 0.58 0.37 0.00 0.00 175.52 177.28 1nei h VAL 46 N 0.50 1.16 -0.02 3.16 2.07 0.14 -2.07 116.25 121.19 1nei h VAL 46 Ca -0.05 -0.36 -0.15 0.00 0.82 0.00 0.00 66.70 66.95 1nei h VAL 46 Cb 1.40 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 1nei h VAL 46 CO 0.16 0.17 -0.69 0.03 0.02 0.00 0.00 177.57 177.25 1nei h ARG 47 N 0.74 0.10 -0.69 1.57 3.08 -0.64 -2.99 114.38 115.54 1nei h ARG 47 Ca 0.20 -0.08 0.17 0.00 0.07 0.00 0.00 59.98 60.33 1nei h ARG 47 Cb -0.02 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1nei h ARG 47 CO -0.04 0.75 0.48 0.77 -1.07 0.00 0.00 179.97 180.86 1nei h SER 48 N 0.07 0.20 0.61 7.04 0.02 -0.09 1.50 113.55 122.89 1nei h SER 48 Ca -0.01 0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1nei h SER 48 Cb 1.23 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 1nei h SER 48 CO 0.10 0.10 -0.62 0.22 -1.14 0.00 0.00 176.83 175.48 1nei h TYR 49 N 0.21 0.02 0.00 3.45 3.20 -1.34 -3.34 116.97 119.17 1nei h TYR 49 Ca 0.34 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.16 1nei h TYR 49 Cb 1.03 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 1nei h TYR 49 CO -0.00 0.63 -0.58 0.22 -1.64 0.00 0.00 178.16 176.79 1nei h ASP 50 N 0.01 0.00 -1.46 -2.11 3.58 -0.25 -3.40 116.42 112.80 1nei h ASP 50 Ca -0.01 -0.12 -0.63 0.00 0.42 0.00 0.00 57.03 56.69 1nei h ASP 50 Cb 1.10 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 42.03 1nei h ASP 50 CO 0.08 0.87 -0.58 0.28 -2.88 0.00 0.00 179.24 177.02 1nei s THR 51 N -2.19 1.89 -0.11 2.25 -1.32 0.47 -4.25 115.64 112.38 1nei s THR 51 Ca -0.16 -1.98 -0.08 0.00 -1.21 0.00 0.00 61.69 58.26 1nei s THR 51 Cb 0.02 -2.87 0.03 0.00 -1.51 0.00 0.00 72.50 68.18 1nei s THR 51 CO 0.28 0.00 0.16 1.21 -2.21 0.00 0.00 174.62 174.06 1nei n GLU 52 N -1.04 -3.68 -2.55 7.08 2.13 -1.26 -3.51 120.64 117.82 1nei n GLU 52 Ca -0.07 2.82 -0.41 0.00 0.66 0.00 0.00 57.16 60.16 1nei n GLU 52 Cb 0.67 -3.80 -0.04 0.00 0.27 0.00 0.00 31.44 28.54 1nei n GLU 52 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1nei s ASN 53 N -0.46 7.28 -0.01 4.31 3.84 -1.26 -4.60 114.94 124.05 1nei s ASN 53 Ca -0.18 2.00 0.10 0.00 0.21 0.00 0.00 52.86 54.99 1nei s ASN 53 Cb 0.01 -2.59 -0.14 0.00 -0.55 0.00 0.00 41.25 37.98 1nei s ASN 53 CO 0.49 -0.23 0.32 -1.84 -2.79 0.00 0.00 177.10 173.05 1nei n GLU 54 N 2.79 1.81 0.00 0.43 0.28 -1.26 -5.00 120.64 119.69 1nei n GLU 54 Ca 0.04 -0.05 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1nei n GLU 54 Cb 0.47 -1.13 0.00 0.00 1.43 0.00 0.00 31.44 32.21 1nei n GLU 54 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 1nei n HIS 55 N -1.58 -0.39 -3.59 -1.84 -0.00 -1.26 -5.14 115.22 101.41 1nei n HIS 55 Ca -0.00 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.85 1nei n HIS 55 Cb 0.22 0.08 -0.05 0.00 -0.12 0.00 0.00 29.99 30.12 1nei n HIS 55 CO 0.00 0.00 0.00 0.16 0.46 0.00 0.00 176.34 176.96 1nei s ASP 56 N 0.45 6.56 0.13 0.26 -4.77 -1.26 -5.09 116.67 112.95 1nei s ASP 56 Ca 0.00 0.71 -0.06 0.00 -3.30 0.00 0.00 52.55 49.90 1nei s ASP 56 Cb 0.00 -2.14 -0.06 0.00 -1.09 0.00 0.00 42.92 39.63 1nei s ASP 56 CO 0.00 0.06 0.39 0.54 0.70 0.00 0.00 175.17 176.86 1nei s VAL 57 N -1.62 5.14 0.16 2.11 0.11 -1.26 -4.91 120.40 120.12 1nei s VAL 57 Ca 0.40 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.63 1nei s VAL 57 Cb -0.12 -3.62 0.00 0.00 -1.53 0.00 0.00 36.38 31.10 1nei s VAL 57 CO 0.22 0.11 0.00 0.00 -3.33 0.00 0.00 175.10 172.10 1nei n GLY 59 N 2.87 0.79 0.00 0.00 0.00 -1.26 -5.15 105.19 102.43 1nei n GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nei n GLY 59 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65