#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 0.68 3.94 3.03 0.00 -1.26 -5.16 105.19 106.42 1nei n GLY 2 Ca 0.00 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 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 2.76 -0.63 1.61 3.01 -1.26 -5.07 119.74 120.16 1nei s LYS 3 Ca 0.00 -1.31 -0.09 0.00 -1.01 0.00 0.00 55.97 53.56 1nei s LYS 3 Cb 0.00 -2.60 0.16 0.00 -1.01 0.00 0.00 37.83 34.38 1nei s LYS 3 CO 0.00 -0.14 0.51 0.00 0.51 0.00 0.00 175.35 176.23 1nei s ALA 4 N -2.36 3.68 0.05 5.17 0.00 -1.26 -5.03 121.76 122.00 1nei s ALA 4 Ca 0.49 -3.03 -0.01 0.00 0.00 0.00 0.00 51.96 49.41 1nei s ALA 4 Cb -0.07 -2.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 1nei s ALA 4 CO 0.30 -2.09 -0.01 0.95 0.00 0.00 0.00 175.76 174.91 1nei s THR 5 N 0.50 0.19 -0.01 0.00 -4.23 -1.26 -4.62 115.64 106.21 1nei s THR 5 Ca 0.13 -1.57 0.03 0.00 -1.18 0.00 0.00 61.69 59.10 1nei s THR 5 Cb -0.19 -1.24 -0.01 0.00 1.34 0.00 0.00 72.50 72.40 1nei s THR 5 CO -0.04 -0.87 -0.11 -0.31 -0.54 0.00 0.00 174.62 172.75 1nei s TYR 6 N -3.37 1.01 -0.33 3.99 1.51 -0.83 -4.91 117.35 114.42 1nei s TYR 6 Ca 0.02 -0.20 -0.04 0.00 -1.01 0.00 0.00 57.07 55.84 1nei s TYR 6 Cb 0.04 -0.66 0.06 0.00 -0.11 0.00 0.00 41.96 41.29 1nei s TYR 6 CO -0.08 -0.02 0.07 0.99 -1.11 0.00 0.00 175.55 175.40 1nei s THR 7 N -0.23 3.33 -0.22 -0.71 2.01 -1.26 -0.73 115.64 117.83 1nei s THR 7 Ca 0.04 -1.40 -0.08 0.00 0.31 0.00 0.00 61.69 60.55 1nei s THR 7 Cb -0.05 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 1nei s THR 7 CO -0.00 -0.23 0.09 -0.69 -0.69 0.00 0.00 174.62 173.10 1nei s VAL 8 N 1.29 4.80 -0.15 3.82 1.01 -0.95 -4.98 120.40 125.24 1nei s VAL 8 Ca -0.02 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1nei s VAL 8 Cb -0.20 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 32.98 1nei s VAL 8 CO -0.00 0.39 -0.21 -0.89 0.00 0.00 0.00 175.10 174.38 1nei s THR 9 N 0.97 2.06 -0.18 3.92 2.01 -1.26 -0.38 115.64 122.77 1nei s THR 9 Ca 0.05 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.09 1nei s THR 9 Cb -0.14 -1.83 0.02 0.00 0.01 0.00 0.00 72.50 70.57 1nei s THR 9 CO 0.03 0.55 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.64 1nei s VAL 10 N 0.94 1.92 0.04 3.82 1.01 0.30 -4.96 120.40 123.47 1nei s VAL 10 Ca -0.04 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.10 1nei s VAL 10 Cb -0.15 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1nei s VAL 10 CO -0.05 0.47 -0.20 -0.89 0.00 0.00 0.00 175.10 174.42 1nei s THR 11 N 1.33 1.65 -0.38 3.92 2.01 -1.26 -0.52 115.64 122.40 1nei s THR 11 Ca 0.04 -1.17 -0.14 0.00 0.31 0.00 0.00 61.69 60.73 1nei s THR 11 Cb -0.14 -1.43 0.01 0.00 0.01 0.00 0.00 72.50 70.95 1nei s THR 11 CO -0.12 0.21 0.26 0.20 -0.69 0.00 0.00 174.62 174.49 1nei s ASN 12 N -1.14 6.04 0.21 3.53 0.01 0.47 -4.91 114.94 119.14 1nei s ASN 12 Ca 0.07 -0.71 0.23 0.00 -0.71 0.00 0.00 52.86 51.75 1nei s ASN 12 Cb -0.09 -2.13 0.92 0.00 0.41 0.00 0.00 41.25 40.36 1nei s ASN 12 CO 0.02 -0.35 1.71 0.59 -1.51 0.00 0.00 177.10 177.56 1nei n ASN 13 N 5.12 0.61 0.10 -1.22 3.02 -1.26 0.34 115.26 121.96 1nei n ASN 13 Ca -0.12 0.62 -0.18 0.00 -0.03 0.00 0.00 54.58 54.87 1nei n ASN 13 Cb 0.48 -0.76 -0.14 0.00 -0.61 0.00 0.00 39.78 38.75 1nei n ASN 13 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1nei h SER 14 N 0.00 0.50 -0.01 6.41 0.87 -1.95 -3.33 113.55 116.04 1nei h SER 14 Ca 0.00 -0.59 0.00 0.00 -1.23 0.00 0.00 61.79 59.97 1nei h SER 14 Cb 0.45 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1nei h SER 14 CO 0.00 1.47 -0.06 -3.20 -0.53 0.00 0.00 176.83 174.52 1nei n ASN 15 N -3.54 1.68 -1.39 6.23 5.15 -1.03 -4.96 115.26 117.40 1nei n ASN 15 Ca -0.14 -1.34 -0.17 0.00 -0.60 0.00 0.00 54.58 52.34 1nei n ASN 15 Cb 1.05 0.13 -0.07 0.00 -0.53 0.00 0.00 39.78 40.36 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 0.67 1.59 3.73 8.20 0.00 1.03 -4.92 105.19 115.47 1nei n GLY 16 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.40 5.13 0.04 1.61 1.01 -0.65 -4.84 120.40 120.31 1nei s VAL 17 Ca 0.00 1.09 0.05 0.00 0.00 0.00 0.00 61.98 63.12 1nei s VAL 17 Cb 0.00 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1nei s VAL 17 CO 0.00 0.32 -0.09 -0.94 0.00 0.00 0.00 175.10 174.39 1nei s SER 18 N 0.57 4.47 -0.20 3.32 1.04 -1.26 0.18 113.70 121.81 1nei s SER 18 Ca 0.29 -0.25 -0.09 0.00 0.48 0.00 0.00 55.95 56.38 1nei s SER 18 Cb -0.16 -0.96 0.08 0.00 0.10 0.00 0.00 66.02 65.08 1nei s SER 18 CO 0.13 0.25 0.46 -0.69 0.98 0.00 0.00 173.24 174.36 1nei s VAL 19 N -1.06 -0.38 0.07 5.02 1.01 0.33 -4.95 120.40 120.43 1nei s VAL 19 Ca 0.18 0.11 0.09 0.00 0.00 0.00 0.00 61.98 62.36 1nei s VAL 19 Cb -0.11 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 1nei s VAL 19 CO 0.09 0.05 -0.23 -1.81 0.00 0.00 0.00 175.10 173.20 1nei s ASP 20 N 2.08 2.81 -0.02 3.32 1.11 -1.26 0.11 116.67 124.82 1nei s ASP 20 Ca -0.06 -0.61 -0.00 0.00 0.18 0.00 0.00 52.55 52.06 1nei s ASP 20 Cb -0.10 -0.22 0.03 0.00 1.07 0.00 0.00 42.92 43.70 1nei s ASP 20 CO -0.14 0.17 0.03 -0.31 1.18 0.00 0.00 175.17 176.10 1nei s TYR 21 N -0.91 0.10 -0.38 4.23 1.51 0.49 -4.99 117.35 117.39 1nei s TYR 21 Ca 0.10 0.12 -0.24 0.00 -1.01 0.00 0.00 57.07 56.03 1nei s TYR 21 Cb -0.10 -0.31 0.01 0.00 -0.11 0.00 0.00 41.96 41.46 1nei s TYR 21 CO 0.03 -0.11 0.84 -2.00 -1.11 0.00 0.00 175.55 173.19 1nei s GLU 22 N 1.20 3.73 -0.07 -0.62 2.12 -1.26 -2.23 118.70 121.57 1nei s GLU 22 Ca -0.07 0.34 -0.02 0.00 0.36 0.00 0.00 54.97 55.58 1nei s GLU 22 Cb -0.13 -3.83 0.03 0.00 0.26 0.00 0.00 34.13 30.46 1nei s GLU 22 CO -0.03 -0.93 0.02 -0.08 -0.54 0.00 0.00 175.26 173.70 1nei s THR 23 N 3.28 0.27 -0.75 -1.70 -1.32 0.10 -5.00 115.64 110.51 1nei s THR 23 Ca 0.34 0.18 -0.21 0.00 -1.21 0.00 0.00 61.69 60.78 1nei s THR 23 Cb -0.12 -0.46 0.09 0.00 -1.51 0.00 0.00 72.50 70.50 1nei s THR 23 CO 0.19 0.23 1.00 -1.83 -2.21 0.00 0.00 174.62 172.00 1nei s GLU 24 N 2.02 3.28 -0.14 7.08 -1.05 -1.26 -1.96 118.70 126.66 1nei s GLU 24 Ca 0.05 -1.19 -0.02 0.00 -0.15 0.00 0.00 54.97 53.66 1nei s GLU 24 Cb -0.12 -4.48 0.04 0.00 -0.44 0.00 0.00 34.13 29.13 1nei s GLU 24 CO -0.05 -1.79 -0.00 0.95 0.95 0.00 0.00 175.26 175.32 1nei s THR 25 N 3.49 0.65 0.00 1.83 -4.23 -1.26 -4.89 115.64 111.23 1nei s THR 25 Ca 0.25 -0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 1nei s THR 25 Cb -0.13 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.77 1nei s THR 25 CO 0.03 0.05 0.00 -0.81 -0.54 0.00 0.00 174.62 173.35 1nei n PRO 26 N 5.03 0.00 0.14 3.99 -0.04 -1.26 -4.05 135.00 138.81 1nei n PRO 26 Ca -0.09 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.38 1nei n PRO 26 Cb 0.48 -0.11 0.15 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.73 0.54 2.86 -2.03 -3.11 114.93 112.47 1nei h MET 27 Ca 0.00 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 57.83 1nei h MET 27 Cb 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1nei h MET 27 CO 0.00 0.58 0.51 1.15 1.06 0.00 0.00 176.91 180.21 1nei h THR 28 N 0.00 0.68 -0.89 2.22 2.02 -1.95 0.35 112.91 115.34 1nei h THR 28 Ca -0.01 -0.04 0.25 0.00 0.77 0.00 0.00 66.41 67.39 1nei h THR 28 Cb 1.21 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 1nei h THR 28 CO 0.08 0.02 0.63 -0.07 0.37 0.00 0.00 175.52 176.54 1nei h LEU 29 N 0.11 0.07 -0.01 2.58 3.38 -1.68 1.30 115.31 121.05 1nei h LEU 29 Ca 0.35 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.15 1nei h LEU 29 Cb 1.23 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 1nei h LEU 29 CO -0.04 0.02 -0.87 -0.07 0.09 0.00 0.00 178.44 177.58 1nei h LEU 30 N 0.07 0.00 -9.74 1.67 3.38 -0.53 -3.43 115.31 106.73 1nei h LEU 30 Ca 0.43 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.86 1nei h LEU 30 Cb 1.61 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.44 1nei h LEU 30 CO -0.04 0.87 0.86 0.52 0.09 0.00 0.00 178.44 180.74 1nei n VAL 31 N -3.33 0.84 -0.01 1.22 0.31 0.45 -4.90 118.33 112.92 1nei n VAL 31 Ca 0.00 -0.21 -0.17 0.00 -0.01 0.00 0.00 64.34 63.95 1nei n VAL 31 Cb 0.88 -1.89 -0.10 0.00 -0.91 0.00 0.00 33.84 31.82 1nei n VAL 31 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1nei h PRO 32 N 5.03 0.46 -0.59 5.55 0.13 -1.88 0.15 132.00 140.85 1nei h PRO 32 Ca -0.46 -0.45 0.05 0.00 -0.87 0.00 0.00 66.00 64.27 1nei h PRO 32 Cb 1.23 0.12 -0.03 0.00 0.13 0.00 0.00 31.00 32.44 1nei h PRO 32 CO 0.81 1.10 0.39 0.93 -0.23 0.00 0.00 178.00 181.00 1nei h GLU 33 N 0.00 0.58 0.11 0.86 5.08 -1.92 2.33 114.58 121.62 1nei h GLU 33 Ca -0.06 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.08 1nei h GLU 33 Cb 1.28 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 30.40 1nei h GLU 33 CO 0.12 0.39 -0.86 0.28 -1.00 0.00 0.00 179.01 177.94 1nei h VAL 34 N 0.60 1.41 -0.15 3.13 2.07 -1.82 -2.59 116.25 118.90 1nei h VAL 34 Ca 0.25 -2.46 -0.01 0.00 0.82 0.00 0.00 66.70 65.30 1nei h VAL 34 Cb 0.23 3.07 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 1nei h VAL 34 CO -0.07 0.68 0.06 0.00 0.02 0.00 0.00 177.57 178.25 1nei h ALA 35 N 0.01 0.19 -0.29 1.67 0.00 -0.14 0.24 119.26 120.94 1nei h ALA 35 Ca -0.17 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.67 1nei h ALA 35 Cb 1.56 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 1nei h ALA 35 CO 0.09 -0.21 0.06 0.00 0.00 0.00 0.00 179.25 179.18 1nei h ALA 36 N 0.89 0.30 -0.41 0.00 0.00 0.38 0.73 119.26 121.16 1nei h ALA 36 Ca 0.05 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1nei h ALA 36 Cb 0.18 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1nei h ALA 36 CO -0.00 -0.35 0.14 0.93 0.00 0.00 0.00 179.25 179.96 1nei h GLU 37 N 0.16 0.58 -0.14 0.00 5.08 -1.23 1.01 114.58 120.04 1nei h GLU 37 Ca 0.13 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1nei h GLU 37 Cb 0.14 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1nei h GLU 37 CO -0.18 0.50 -0.15 0.28 -1.00 0.00 0.00 179.01 178.47 1nei h VAL 38 N 0.58 1.35 -0.39 3.13 2.07 0.95 1.64 116.25 125.58 1nei h VAL 38 Ca 0.14 -1.32 -0.09 0.00 0.82 0.00 0.00 66.70 66.25 1nei h VAL 38 Cb 0.16 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1nei h VAL 38 CO -0.01 0.39 -0.11 0.40 0.02 0.00 0.00 177.57 178.26 1nei h ILE 39 N -0.03 1.28 -0.29 4.57 1.08 0.89 -0.22 117.51 124.79 1nei h ILE 39 Ca 0.02 -1.20 -0.16 0.00 -0.39 0.00 0.00 64.86 63.13 1nei h ILE 39 Cb 0.68 1.25 -0.00 0.00 -3.07 0.00 0.00 36.82 35.68 1nei h ILE 39 CO 0.04 0.40 -0.46 0.50 -0.69 0.00 0.00 178.15 177.94 1nei h LYS 40 N 0.56 0.82 -0.53 2.37 3.11 0.11 -1.90 116.57 121.11 1nei h LYS 40 Ca 0.10 -0.49 0.04 0.00 -2.81 0.00 0.00 60.65 57.48 1nei h LYS 40 Cb 0.63 0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.87 1nei h LYS 40 CO 0.04 1.13 0.30 0.22 -2.81 0.00 0.00 179.45 178.32 1nei h ASP 41 N 0.59 0.46 0.19 4.20 3.58 0.26 1.88 116.42 127.57 1nei h ASP 41 Ca 0.02 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 1nei h ASP 41 Cb 1.06 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1nei h ASP 41 CO 0.10 0.32 -0.09 -0.07 -2.88 0.00 0.00 179.24 176.62 1nei h LEU 42 N 0.58 -0.21 -0.27 2.28 3.38 -0.95 0.34 115.31 120.45 1nei h LEU 42 Ca 0.22 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1nei h LEU 42 Cb 0.08 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1nei h LEU 42 CO -0.13 -0.13 0.14 0.58 0.09 0.00 0.00 178.44 178.99 1nei h VAL 43 N -0.28 1.14 -0.80 1.22 2.07 -0.83 0.19 116.25 118.95 1nei h VAL 43 Ca -0.03 -0.40 0.10 0.00 0.82 0.00 0.00 66.70 67.20 1nei h VAL 43 Cb 0.22 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 1nei h VAL 43 CO 0.04 0.14 0.52 0.78 0.02 0.00 0.00 177.57 179.08 1nei h ASN 44 N 0.31 0.64 -0.20 0.57 2.35 0.32 0.22 115.58 119.79 1nei h ASN 44 Ca 0.09 0.02 -0.19 0.00 -0.55 0.00 0.00 56.30 55.67 1nei h ASN 44 Cb 0.11 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.37 1nei h ASN 44 CO -0.01 0.37 -0.62 0.74 -1.65 0.00 0.00 177.43 176.27 1nei h THR 45 N 0.71 1.29 -0.40 2.81 2.02 0.49 0.14 112.91 119.97 1nei h THR 45 Ca 0.38 -1.82 -0.00 0.00 0.77 0.00 0.00 66.41 65.73 1nei h THR 45 Cb 0.50 1.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 1nei h THR 45 CO -0.15 0.58 0.24 0.58 0.37 0.00 0.00 175.52 177.14 1nei h VAL 46 N 0.51 1.13 0.00 3.16 2.07 0.10 -1.91 116.25 121.31 1nei h VAL 46 Ca -0.02 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 67.09 1nei h VAL 46 Cb 1.24 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1nei h VAL 46 CO 0.13 0.13 -0.48 0.03 0.02 0.00 0.00 177.57 177.41 1nei h ARG 47 N 0.52 0.00 -0.98 1.57 3.08 -0.64 -3.03 114.38 114.90 1nei h ARG 47 Ca 0.14 0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.34 1nei h ARG 47 Cb 0.01 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 29.97 1nei h ARG 47 CO -0.03 0.48 0.61 1.03 -1.07 0.00 0.00 179.97 180.99 1nei h SER 48 N 0.00 0.81 0.10 7.04 0.87 0.10 0.20 113.55 122.68 1nei h SER 48 Ca -0.00 0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.52 1nei h SER 48 Cb 1.00 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 1nei h SER 48 CO 0.06 0.38 -0.32 0.22 -0.53 0.00 0.00 176.83 176.64 1nei h TYR 49 N 0.84 0.37 -1.21 2.24 3.20 -1.39 -3.30 116.97 117.72 1nei h TYR 49 Ca 0.51 -0.08 -0.75 0.00 3.14 0.00 0.00 58.73 61.55 1nei h TYR 49 Cb 0.70 -0.09 -0.14 0.00 1.54 0.00 0.00 36.73 38.74 1nei h TYR 49 CO -0.00 0.61 2.16 -0.25 -1.64 0.00 0.00 178.16 179.04 1nei n ASP 50 N -4.09 4.94 -4.42 -2.11 8.00 0.72 -4.33 116.55 115.26 1nei n ASP 50 Ca -0.01 -3.08 -0.26 0.00 0.71 0.00 0.00 54.79 52.15 1nei n ASP 50 Cb 0.43 -1.50 -0.09 0.00 -0.02 0.00 0.00 41.12 39.93 1nei n ASP 50 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1nei s THR 51 N 0.75 1.07 0.20 -3.53 -1.32 -1.24 -4.96 115.64 106.61 1nei s THR 51 Ca 0.40 -2.00 -0.18 0.00 -1.21 0.00 0.00 61.69 58.71 1nei s THR 51 Cb 0.10 -2.53 0.19 0.00 -1.51 0.00 0.00 72.50 68.75 1nei s THR 51 CO -0.01 0.00 1.59 -0.33 -2.21 0.00 0.00 174.62 173.66 1nei h GLU 52 N 1.80 -0.10 -7.43 7.08 5.08 -1.91 -3.41 114.58 115.69 1nei h GLU 52 Ca -0.40 0.01 -0.46 0.00 -1.00 0.00 0.00 59.36 57.51 1nei h GLU 52 Cb 1.27 0.02 0.11 0.00 0.50 0.00 0.00 28.75 30.65 1nei h GLU 52 CO 0.67 -0.06 0.26 1.21 -1.00 0.00 0.00 179.01 180.09 1nei s ASN 53 N -5.21 4.03 0.51 1.42 3.84 -1.26 -4.93 114.94 113.34 1nei s ASN 53 Ca -0.14 0.12 0.27 0.00 0.21 0.00 0.00 52.86 53.31 1nei s ASN 53 Cb 0.18 -0.45 1.38 0.00 -0.55 0.00 0.00 41.25 41.81 1nei s ASN 53 CO 0.71 -2.11 1.92 1.05 -2.79 0.00 0.00 177.10 175.88 1nei h GLU 54 N -0.96 0.08 0.00 0.43 9.09 -1.88 -3.40 114.58 117.93 1nei h GLU 54 Ca -0.42 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.99 1nei h GLU 54 Cb 1.27 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 1nei h GLU 54 CO 0.45 0.05 0.00 -2.39 0.05 0.00 0.00 179.01 177.18 1nei n HIS 55 N -4.35 0.00 -4.40 2.06 1.44 -1.26 -4.78 115.22 103.94 1nei n HIS 55 Ca 0.16 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.60 1nei n HIS 55 Cb 0.80 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.79 1nei n HIS 55 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 1nei s ASP 56 N 0.00 3.28 0.36 4.39 -4.77 -1.26 -4.97 116.67 113.70 1nei s ASP 56 Ca 0.00 -0.81 -0.26 0.00 -3.30 0.00 0.00 52.55 48.18 1nei s ASP 56 Cb 0.00 -0.23 -0.09 0.00 -1.09 0.00 0.00 42.92 41.51 1nei s ASP 56 CO 0.00 0.13 1.11 0.68 0.70 0.00 0.00 175.17 177.79 1nei s VAL 57 N -1.44 3.44 -0.39 2.11 -7.23 -1.26 -4.83 120.40 110.80 1nei s VAL 57 Ca 0.17 1.24 0.11 0.00 -1.81 0.00 0.00 61.98 61.69 1nei s VAL 57 Cb -0.09 -3.71 0.37 0.00 0.56 0.00 0.00 36.38 33.52 1nei s VAL 57 CO 0.08 0.14 0.98 0.00 -0.31 0.00 0.00 175.10 175.99 1nei n GLY 59 N 0.09 0.12 0.00 0.00 0.00 -1.26 -5.20 105.19 98.94 1nei n GLY 59 Ca 0.12 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.87 1nei n GLY 59 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65