#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab2 n SER 2 N 0.00 -7.28 -2.70 1.61 2.88 -1.26 -4.62 113.62 102.24 1ab2 n SER 2 Ca 0.00 0.62 -0.06 0.00 -1.33 0.00 0.00 58.87 58.10 1ab2 n SER 2 Cb 0.00 -4.88 0.07 0.00 -0.75 0.00 0.00 64.21 58.65 1ab2 n SER 2 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ab2 n GLY 3 N -0.15 -0.79 3.54 0.46 0.00 -1.26 -4.39 105.19 102.61 1ab2 n GLY 3 Ca 0.09 0.56 -0.22 0.00 0.00 0.00 0.00 46.02 46.45 1ab2 n GLY 3 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ab2 n ASN 4 N 1.24 1.24 -3.22 1.61 4.13 -1.26 -4.88 115.26 114.13 1ab2 n ASN 4 Ca 0.04 -1.00 0.00 0.00 1.68 0.00 0.00 54.58 55.29 1ab2 n ASN 4 Cb 0.69 -1.40 0.00 0.00 -1.54 0.00 0.00 39.78 37.53 1ab2 n ASN 4 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1ab2 n SER 5 N 15.29 0.00 0.00 6.41 3.41 -1.26 -4.63 113.62 132.84 1ab2 n SER 5 Ca 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1ab2 n SER 5 Cb 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1ab2 n SER 5 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1ab2 n LEU 6 N 0.00 0.00 -3.20 1.04 -0.00 -1.26 -4.12 117.00 109.45 1ab2 n LEU 6 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.76 1ab2 n LEU 6 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 1ab2 n LEU 6 CO 0.00 0.00 2.53 -0.62 -0.00 0.00 0.00 177.39 179.30 1ab2 n GLU 7 N 0.00 2.34 0.00 1.96 1.02 -1.26 -4.35 120.64 120.35 1ab2 n GLU 7 Ca 0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 57.16 55.56 1ab2 n GLU 7 Cb 0.00 -2.52 0.00 0.00 -0.02 0.00 0.00 31.44 28.90 1ab2 n GLU 7 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1ab2 n LYS 8 N 4.15 0.00 -1.18 3.49 0.00 -1.21 -4.92 118.16 118.49 1ab2 n LYS 8 Ca 0.50 0.00 -0.26 0.00 0.00 0.00 0.00 58.31 58.55 1ab2 n LYS 8 Cb 0.15 0.00 0.20 0.00 0.00 0.00 0.00 35.03 35.38 1ab2 n LYS 8 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1ab2 n HIS 9 N 0.00 -3.86 1.82 5.64 8.25 -1.26 -4.84 115.22 120.97 1ab2 n HIS 9 Ca 0.00 -0.91 0.06 0.00 -0.26 0.00 0.00 57.72 56.61 1ab2 n HIS 9 Cb 0.00 -0.94 0.37 0.00 1.12 0.00 0.00 29.99 30.53 1ab2 n HIS 9 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1ab2 n SER 10 N -4.27 0.00 0.00 0.41 3.41 -1.26 -1.96 113.62 109.94 1ab2 n SER 10 Ca 0.14 -1.44 0.00 0.00 -0.26 0.00 0.00 58.87 57.31 1ab2 n SER 10 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1ab2 n SER 10 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1ab2 n TRP 11 N -0.71 0.00 -3.72 7.33 4.27 -1.26 -4.12 117.44 119.23 1ab2 n TRP 11 Ca 0.09 -0.02 -0.38 0.00 -3.89 0.00 0.00 57.50 53.30 1ab2 n TRP 11 Cb 0.04 -0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 29.87 1ab2 n TRP 11 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1ab2 s TYR 12 N -0.04 3.28 -0.08 -2.67 6.14 -0.83 -1.86 117.35 121.29 1ab2 s TYR 12 Ca 0.00 -1.44 -0.07 0.00 0.64 0.00 0.00 57.07 56.20 1ab2 s TYR 12 Cb 0.00 -2.43 -0.04 0.00 0.42 0.00 0.00 41.96 39.90 1ab2 s TYR 12 CO 0.00 -0.75 -0.15 -2.39 0.64 0.00 0.00 175.55 172.90 1ab2 n HIS 13 N 4.83 0.00 -2.36 4.97 -0.00 -1.26 -3.28 115.22 118.11 1ab2 n HIS 13 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.60 1ab2 n HIS 13 Cb 0.44 -0.34 0.00 0.00 -0.00 0.00 0.00 29.99 30.09 1ab2 n HIS 13 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ab2 n GLY 14 N 2.40 -0.20 3.66 -1.39 0.00 -1.26 -4.54 105.19 103.86 1ab2 n GLY 14 Ca -0.17 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 1ab2 n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ab2 s PRO 15 N -2.00 4.24 0.02 1.61 0.04 -1.26 -4.04 135.00 133.61 1ab2 s PRO 15 Ca 0.00 1.68 -0.00 0.00 0.04 0.00 0.00 61.00 62.72 1ab2 s PRO 15 Cb 0.00 -3.76 -0.02 0.00 0.04 0.00 0.00 34.50 30.76 1ab2 s PRO 15 CO 0.00 -0.70 -0.02 0.08 0.04 0.00 0.00 177.00 176.40 1ab2 s VAL 16 N 3.44 0.09 -0.04 -0.36 1.01 -1.26 -5.03 120.40 118.26 1ab2 s VAL 16 Ca 0.55 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 1ab2 s VAL 16 Cb -0.22 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 1ab2 s VAL 16 CO 0.15 -0.43 1.18 -0.44 0.00 0.00 0.00 175.10 175.57 1ab2 s SER 17 N -1.26 7.08 0.37 3.32 0.01 -1.26 -4.90 113.70 117.06 1ab2 s SER 17 Ca -0.14 1.82 0.14 0.00 1.31 0.00 0.00 55.95 59.08 1ab2 s SER 17 Cb -0.09 -2.56 0.98 0.00 0.21 0.00 0.00 66.02 64.56 1ab2 s SER 17 CO -0.01 -0.55 1.79 0.03 0.41 0.00 0.00 173.24 174.91 1ab2 h ARG 18 N 7.34 0.50 0.19 12.44 3.08 -2.00 0.75 114.38 136.69 1ab2 h ARG 18 Ca -0.35 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1ab2 h ARG 18 Cb 1.17 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 1ab2 h ARG 18 CO 0.87 0.33 -0.34 -0.91 -1.07 0.00 0.00 179.97 178.85 1ab2 h ASN 19 N 0.52 -0.99 -0.79 7.04 4.21 -2.01 -0.71 115.58 122.85 1ab2 h ASN 19 Ca 0.56 0.09 0.09 0.00 1.21 0.00 0.00 56.30 58.25 1ab2 h ASN 19 Cb 1.22 0.35 -0.05 0.00 -1.12 0.00 0.00 38.32 38.72 1ab2 h ASN 19 CO -0.30 -0.40 0.51 0.00 -1.29 0.00 0.00 177.43 175.96 1ab2 h ALA 20 N -1.03 1.75 -0.10 -0.83 0.00 -1.68 -1.93 119.26 115.45 1ab2 h ALA 20 Ca -0.02 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ab2 h ALA 20 Cb 0.54 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1ab2 h ALA 20 CO -0.12 0.09 -0.30 0.00 0.00 0.00 0.00 179.25 178.91 1ab2 h ALA 21 N 1.60 -0.67 -0.88 0.00 0.00 0.30 1.97 119.26 121.59 1ab2 h ALA 21 Ca 0.36 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.37 1ab2 h ALA 21 Cb 0.42 0.84 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 1ab2 h ALA 21 CO -0.14 -0.78 0.57 0.93 0.00 0.00 0.00 179.25 179.83 1ab2 h GLU 22 N -0.31 0.69 0.01 0.00 5.08 -0.73 1.40 114.58 120.73 1ab2 h GLU 22 Ca 0.02 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1ab2 h GLU 22 Cb 0.37 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ab2 h GLU 22 CO -0.26 0.46 -0.01 -0.92 -1.00 0.00 0.00 179.01 177.28 1ab2 h TYR 23 N 0.71 -0.02 -0.34 4.33 3.20 -0.17 -3.03 116.97 121.65 1ab2 h TYR 23 Ca 0.43 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.40 1ab2 h TYR 23 Cb 0.66 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1ab2 h TYR 23 CO -0.00 -0.01 0.28 1.37 -1.64 0.00 0.00 178.16 178.16 1ab2 h LEU 24 N -0.02 0.00 -2.75 2.82 8.10 0.31 0.66 115.31 124.44 1ab2 h LEU 24 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1ab2 h LEU 24 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.23 1ab2 h LEU 24 CO 0.00 0.00 0.00 0.25 -4.11 0.00 0.00 178.44 174.58 1ab2 h LEU 25 N 0.00 0.00 -0.90 0.17 5.85 0.19 -2.86 115.31 117.76 1ab2 h LEU 25 Ca 0.16 0.00 0.17 0.00 0.84 0.00 0.00 57.88 59.05 1ab2 h LEU 25 Cb 0.72 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.58 1ab2 h LEU 25 CO -0.00 0.00 -0.25 -1.20 -0.34 0.00 0.00 178.44 176.65 1ab2 n SER 26 N -3.00 -0.38 -4.57 1.25 7.64 0.23 -2.83 113.62 111.97 1ab2 n SER 26 Ca -0.03 1.56 -0.38 0.00 1.01 0.00 0.00 58.87 61.03 1ab2 n SER 26 Cb 0.08 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 62.81 1ab2 n SER 26 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ab2 s SER 27 N -5.25 6.20 -0.22 6.43 1.04 -1.08 -4.84 113.70 115.98 1ab2 s SER 27 Ca -0.13 -1.53 -0.36 0.00 0.48 0.00 0.00 55.95 54.40 1ab2 s SER 27 Cb 0.23 -2.57 0.15 0.00 0.10 0.00 0.00 66.02 63.93 1ab2 s SER 27 CO 0.69 -1.80 1.28 -0.83 0.98 0.00 0.00 173.24 173.56 1ab2 s GLY 28 N 5.52 -0.26 0.92 7.32 0.00 -1.13 -5.12 107.32 114.56 1ab2 s GLY 28 Ca 0.54 1.69 -0.12 0.00 0.00 0.00 0.00 44.72 46.83 1ab2 s GLY 28 CO -0.03 0.56 1.25 -0.26 0.00 0.00 0.00 173.10 174.62 1ab2 s ILE 29 N -2.27 2.01 0.00 0.90 -4.36 -1.26 -4.90 121.20 111.31 1ab2 s ILE 29 Ca 0.10 -0.19 -0.01 0.00 -0.26 0.00 0.00 60.65 60.29 1ab2 s ILE 29 Cb -0.01 -2.81 -0.06 0.00 1.25 0.00 0.00 42.46 40.83 1ab2 s ILE 29 CO -0.04 0.00 2.24 -0.46 0.24 0.00 0.00 174.94 176.93 1ab2 n ASN 30 N -3.56 5.05 -2.74 4.36 6.94 -1.26 -4.16 115.26 119.89 1ab2 n ASN 30 Ca 0.17 -2.36 -0.01 0.00 -0.02 0.00 0.00 54.58 52.36 1ab2 n ASN 30 Cb 0.60 -1.13 0.02 0.00 -2.36 0.00 0.00 39.78 36.90 1ab2 n ASN 30 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1ab2 s GLY 31 N 2.01 -1.71 -0.13 4.83 0.00 -1.25 -4.53 107.32 106.54 1ab2 s GLY 31 Ca 0.14 0.72 -0.13 0.00 0.00 0.00 0.00 44.72 45.46 1ab2 s GLY 31 CO 0.00 4.23 0.36 -1.35 0.00 0.00 0.00 173.10 176.34 1ab2 s SER 32 N 1.34 -0.37 -0.03 1.64 1.04 -1.13 -4.11 113.70 112.08 1ab2 s SER 32 Ca 0.21 0.71 0.02 0.00 0.48 0.00 0.00 55.95 57.37 1ab2 s SER 32 Cb 0.08 0.73 0.01 0.00 0.10 0.00 0.00 66.02 66.93 1ab2 s SER 32 CO -0.11 -0.14 -0.08 -0.36 0.98 0.00 0.00 173.24 173.53 1ab2 s PHE 33 N 0.13 0.84 -0.29 5.02 0.40 -1.26 0.34 117.98 123.16 1ab2 s PHE 33 Ca -0.01 -0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.11 1ab2 s PHE 33 Cb -0.03 -0.62 0.09 0.00 0.51 0.00 0.00 43.02 42.98 1ab2 s PHE 33 CO 0.01 -0.10 0.07 -0.48 0.70 0.00 0.00 175.22 175.41 1ab2 s LEU 34 N 0.28 2.28 0.45 -0.37 2.34 0.35 -4.75 118.68 119.26 1ab2 s LEU 34 Ca -0.04 -1.50 -0.24 0.00 0.06 0.00 0.00 54.13 52.41 1ab2 s LEU 34 Cb -0.09 -0.91 -0.08 0.00 -0.56 0.00 0.00 46.19 44.56 1ab2 s LEU 34 CO 0.00 -0.38 1.28 -0.69 -1.06 0.00 0.00 176.35 175.50 1ab2 s VAL 35 N 1.58 2.64 0.54 1.48 1.01 -0.78 -1.82 120.40 125.05 1ab2 s VAL 35 Ca 0.07 0.53 0.04 0.00 0.00 0.00 0.00 61.98 62.62 1ab2 s VAL 35 Cb -0.17 -3.29 0.03 0.00 0.00 0.00 0.00 36.38 32.94 1ab2 s VAL 35 CO -0.20 0.04 0.32 -0.13 0.00 0.00 0.00 175.10 175.13 1ab2 s ARG 36 N -2.50 2.24 0.39 2.72 3.00 0.47 -4.48 118.95 120.78 1ab2 s ARG 36 Ca 0.62 -2.12 0.08 0.00 0.00 0.00 0.00 55.73 54.31 1ab2 s ARG 36 Cb -0.36 -1.97 -0.06 0.00 0.00 0.00 0.00 34.95 32.56 1ab2 s ARG 36 CO 0.45 -0.58 0.05 -1.83 0.00 0.00 0.00 175.30 173.39 1ab2 s GLU 37 N -4.20 2.05 0.11 3.54 -1.05 -1.26 -2.55 118.70 115.35 1ab2 s GLU 37 Ca 0.27 -1.93 -0.34 0.00 -0.15 0.00 0.00 54.97 52.82 1ab2 s GLU 37 Cb -0.02 -1.81 -0.18 0.00 -0.44 0.00 0.00 34.13 31.68 1ab2 s GLU 37 CO 0.17 -0.00 0.86 -1.13 0.95 0.00 0.00 175.26 176.10 1ab2 n SER 38 N -1.02 -0.28 -0.04 0.83 3.41 0.11 -4.32 113.62 112.31 1ab2 n SER 38 Ca -0.04 1.15 -0.04 0.00 -0.26 0.00 0.00 58.87 59.67 1ab2 n SER 38 Cb 0.65 -0.98 -0.05 0.00 -0.26 0.00 0.00 64.21 63.57 1ab2 n SER 38 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1ab2 n GLU 39 N 1.33 1.78 0.00 4.33 4.07 -1.26 -4.85 120.64 126.04 1ab2 n GLU 39 Ca 0.18 0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.30 1ab2 n GLU 39 Cb 0.18 -1.17 0.00 0.00 -0.06 0.00 0.00 31.44 30.38 1ab2 n GLU 39 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1ab2 n SER 40 N -2.46 3.03 -4.31 4.31 7.64 -1.26 -5.01 113.62 115.56 1ab2 n SER 40 Ca -0.13 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.39 1ab2 n SER 40 Cb 0.70 0.10 -0.13 0.00 -1.01 0.00 0.00 64.21 63.87 1ab2 n SER 40 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ab2 s SER 41 N -3.32 4.66 -0.84 6.43 0.15 -1.26 -5.04 113.70 114.48 1ab2 s SER 41 Ca 0.00 -0.59 -0.25 0.00 0.70 0.00 0.00 55.95 55.81 1ab2 s SER 41 Cb 0.00 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.53 1ab2 s SER 41 CO 0.00 -0.10 1.64 -2.16 1.20 0.00 0.00 173.24 173.81 1ab2 s PRO 42 N 1.46 3.01 0.00 5.44 0.04 -1.26 -2.70 135.00 140.99 1ab2 s PRO 42 Ca 0.03 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 60.76 1ab2 s PRO 42 Cb -0.16 -4.80 0.00 0.00 0.04 0.00 0.00 34.50 29.58 1ab2 s PRO 42 CO -0.01 -2.63 0.00 0.41 0.04 0.00 0.00 177.00 174.81 1ab2 n GLY 43 N 6.28 0.24 3.71 0.56 0.00 -1.26 -5.11 105.19 109.61 1ab2 n GLY 43 Ca 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 1ab2 n GLY 43 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ab2 s GLN 44 N 0.00 2.53 0.15 1.61 -2.07 -1.10 -4.93 119.66 115.85 1ab2 s GLN 44 Ca 0.00 -1.19 0.06 0.00 -1.82 0.00 0.00 55.36 52.41 1ab2 s GLN 44 Cb 0.00 -2.36 -0.04 0.00 -1.09 0.00 0.00 33.01 29.52 1ab2 s GLN 44 CO 0.00 0.41 -0.14 0.50 -1.32 0.00 0.00 175.29 174.74 1ab2 s ARG 45 N -3.45 1.12 0.50 9.60 3.00 -1.26 0.09 118.95 128.55 1ab2 s ARG 45 Ca 0.30 -1.37 0.07 0.00 -1.00 0.00 0.00 55.73 53.74 1ab2 s ARG 45 Cb -0.08 -0.95 0.03 0.00 0.00 0.00 0.00 34.95 33.95 1ab2 s ARG 45 CO 0.21 0.17 0.48 0.45 0.00 0.00 0.00 175.30 176.61 1ab2 s SER 46 N -2.78 4.90 -0.05 -2.12 0.15 -1.06 -2.46 113.70 110.28 1ab2 s SER 46 Ca 0.14 -0.97 0.01 0.00 0.70 0.00 0.00 55.95 55.83 1ab2 s SER 46 Cb -0.03 0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.33 1ab2 s SER 46 CO 0.04 -0.99 -0.05 -0.51 1.20 0.00 0.00 173.24 172.92 1ab2 s ILE 47 N -2.64 0.61 -0.69 6.45 2.07 -1.03 -0.40 121.20 125.57 1ab2 s ILE 47 Ca 0.45 -0.16 0.05 0.00 -1.41 0.00 0.00 60.65 59.58 1ab2 s ILE 47 Cb -0.03 -0.62 0.17 0.00 0.13 0.00 0.00 42.46 42.10 1ab2 s ILE 47 CO 0.28 0.24 0.48 -0.94 -1.91 0.00 0.00 174.94 173.08 1ab2 s SER 48 N 0.89 4.71 0.50 4.50 1.04 -0.76 -2.69 113.70 121.90 1ab2 s SER 48 Ca -0.11 -3.79 -0.18 0.00 0.48 0.00 0.00 55.95 52.35 1ab2 s SER 48 Cb -0.14 -1.61 -0.08 0.00 0.10 0.00 0.00 66.02 64.29 1ab2 s SER 48 CO 0.01 -0.09 0.99 -1.48 0.98 0.00 0.00 173.24 173.64 1ab2 s LEU 49 N -1.35 3.70 -0.09 2.42 0.05 -1.03 -0.50 118.68 121.87 1ab2 s LEU 49 Ca 0.25 1.66 0.04 0.00 0.05 0.00 0.00 54.13 56.13 1ab2 s LEU 49 Cb -0.05 -4.52 0.00 0.00 -2.05 0.00 0.00 46.19 39.56 1ab2 s LEU 49 CO -0.16 -0.63 -0.22 -0.60 -0.55 0.00 0.00 176.35 174.19 1ab2 s ARG 50 N -3.80 2.82 0.00 1.48 3.00 1.03 -1.95 118.95 121.53 1ab2 s ARG 50 Ca 0.61 -0.80 0.00 0.00 -1.00 0.00 0.00 55.73 54.54 1ab2 s ARG 50 Cb -0.11 -2.15 0.00 0.00 0.00 0.00 0.00 34.95 32.69 1ab2 s ARG 50 CO 0.27 0.16 0.00 0.98 0.00 0.00 0.00 175.30 176.70 1ab2 n TYR 51 N 3.57 0.00 -0.57 5.12 9.36 0.18 -2.85 117.16 131.97 1ab2 n TYR 51 Ca -0.20 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 60.87 1ab2 n TYR 51 Cb 0.53 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.22 1ab2 n TYR 51 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1ab2 n GLU 52 N 0.00 1.55 -0.54 2.98 -0.00 -1.26 -3.68 120.64 119.68 1ab2 n GLU 52 Ca 0.00 -1.15 0.00 0.00 -0.00 0.00 0.00 57.16 56.01 1ab2 n GLU 52 Cb 0.00 -2.27 0.00 0.00 -0.00 0.00 0.00 31.44 29.17 1ab2 n GLU 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ab2 n GLY 53 N 3.67 0.76 3.44 -1.84 0.00 -1.26 -5.04 105.19 104.93 1ab2 n GLY 53 Ca 0.33 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 1ab2 n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ab2 s ARG 54 N -0.46 3.57 -0.18 1.61 3.00 -1.24 -5.10 118.95 120.16 1ab2 s ARG 54 Ca 0.00 -0.57 -0.04 0.00 0.00 0.00 0.00 55.73 55.12 1ab2 s ARG 54 Cb 0.00 -2.90 -0.02 0.00 0.00 0.00 0.00 34.95 32.03 1ab2 s ARG 54 CO 0.00 0.14 -0.03 0.08 0.00 0.00 0.00 175.30 175.49 1ab2 s VAL 55 N 0.61 3.83 -0.20 3.52 1.01 -1.26 0.50 120.40 128.41 1ab2 s VAL 55 Ca -0.03 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 1ab2 s VAL 55 Cb -0.15 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.51 1ab2 s VAL 55 CO 0.03 0.46 0.01 -0.31 0.00 0.00 0.00 175.10 175.28 1ab2 s TYR 56 N 0.72 3.05 -0.32 5.22 1.51 -0.82 -4.99 117.35 121.72 1ab2 s TYR 56 Ca -0.01 -0.46 -0.02 0.00 -1.01 0.00 0.00 57.07 55.57 1ab2 s TYR 56 Cb -0.14 -2.10 0.06 0.00 -0.11 0.00 0.00 41.96 39.67 1ab2 s TYR 56 CO 0.02 -0.25 0.03 -1.01 -1.11 0.00 0.00 175.55 173.23 1ab2 s HIS 57 N 1.05 3.32 -0.08 2.71 3.76 -1.26 -2.46 115.29 122.33 1ab2 s HIS 57 Ca 0.02 -1.98 0.02 0.00 -0.15 0.00 0.00 55.06 52.98 1ab2 s HIS 57 Cb -0.14 -2.28 0.01 0.00 1.11 0.00 0.00 32.58 31.28 1ab2 s HIS 57 CO 0.02 -0.83 -0.13 0.71 -0.85 0.00 0.00 174.74 173.66 1ab2 s TYR 58 N 1.23 1.59 0.06 1.40 1.51 -1.10 -5.00 117.35 117.05 1ab2 s TYR 58 Ca -0.03 -0.65 -0.30 0.00 -1.01 0.00 0.00 57.07 55.08 1ab2 s TYR 58 Cb -0.20 -1.18 -0.05 0.00 -0.11 0.00 0.00 41.96 40.42 1ab2 s TYR 58 CO -0.02 -0.35 1.03 1.03 -1.11 0.00 0.00 175.55 176.14 1ab2 s ARG 59 N 0.85 4.57 0.46 -0.62 0.52 -1.26 -2.46 118.95 121.01 1ab2 s ARG 59 Ca -0.11 1.54 -0.14 0.00 -0.52 0.00 0.00 55.73 56.50 1ab2 s ARG 59 Cb -0.15 -3.39 -0.07 0.00 0.52 0.00 0.00 34.95 31.85 1ab2 s ARG 59 CO 0.01 -0.01 0.89 0.42 0.02 0.00 0.00 175.30 176.63 1ab2 s ILE 60 N 0.60 4.64 0.20 1.52 1.01 -1.03 -5.00 121.20 123.13 1ab2 s ILE 60 Ca 0.52 0.97 0.04 0.00 0.00 0.00 0.00 60.65 62.18 1ab2 s ILE 60 Cb -0.24 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1ab2 s ILE 60 CO 0.30 -0.59 0.27 0.20 0.00 0.00 0.00 174.94 175.11 1ab2 s ASN 61 N -3.05 6.06 0.24 3.58 0.01 -1.26 -4.66 114.94 115.86 1ab2 s ASN 61 Ca 0.56 0.02 0.09 0.00 -0.71 0.00 0.00 52.86 52.81 1ab2 s ASN 61 Cb -0.10 -1.73 -0.04 0.00 0.41 0.00 0.00 41.25 39.79 1ab2 s ASN 61 CO 0.30 0.00 0.03 -0.89 -1.51 0.00 0.00 177.10 175.04 1ab2 s THR 62 N -1.88 3.67 0.00 1.60 2.01 -1.26 -2.62 115.64 117.15 1ab2 s THR 62 Ca 0.33 -1.73 0.00 0.00 0.31 0.00 0.00 61.69 60.61 1ab2 s THR 62 Cb -0.10 -2.94 0.00 0.00 0.01 0.00 0.00 72.50 69.47 1ab2 s THR 62 CO 0.27 -0.32 0.50 0.00 -0.69 0.00 0.00 174.62 174.38 1ab2 n ALA 63 N -0.78 -0.22 0.00 7.40 0.00 0.25 -4.84 120.51 122.31 1ab2 n ALA 63 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1ab2 n ALA 63 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1ab2 n ALA 63 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ab2 n SER 64 N -1.70 0.00 0.02 0.00 7.64 -1.26 -4.96 113.62 113.36 1ab2 n SER 64 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1ab2 n SER 64 Cb 0.00 0.03 -0.14 0.00 -1.01 0.00 0.00 64.21 63.09 1ab2 n SER 64 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 1ab2 h ASP 65 N 0.00 0.42 0.00 6.43 2.03 -2.00 -3.48 116.42 119.82 1ab2 h ASP 65 Ca 0.00 -0.87 0.00 0.00 -0.73 0.00 0.00 57.03 55.43 1ab2 h ASP 65 Cb 0.00 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.36 1ab2 h ASP 65 CO 0.00 1.68 0.00 0.61 -1.03 0.00 0.00 179.24 180.50 1ab2 n GLY 66 N 1.79 0.24 3.50 7.15 0.00 -1.26 -4.62 105.19 111.99 1ab2 n GLY 66 Ca -0.26 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.26 1ab2 n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ab2 n LYS 67 N 0.00 0.55 -3.81 1.61 5.02 -1.26 -4.56 118.16 115.71 1ab2 n LYS 67 Ca 0.00 0.20 -0.35 0.00 -2.02 0.00 0.00 58.31 56.13 1ab2 n LYS 67 Cb 0.00 -1.51 -0.09 0.00 -0.02 0.00 0.00 35.03 33.41 1ab2 n LYS 67 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ab2 s LEU 68 N 1.29 4.02 -0.22 -0.35 1.02 0.73 0.84 118.68 126.01 1ab2 s LEU 68 Ca 0.72 0.13 -0.04 0.00 0.02 0.00 0.00 54.13 54.96 1ab2 s LEU 68 Cb -0.95 -2.04 0.07 0.00 0.02 0.00 0.00 46.19 43.30 1ab2 s LEU 68 CO 0.55 0.14 0.10 -0.72 0.02 0.00 0.00 176.35 176.45 1ab2 s TYR 69 N 0.57 0.29 -0.42 0.29 1.13 -1.08 0.13 117.35 118.27 1ab2 s TYR 69 Ca 0.06 -0.56 0.26 0.00 -1.41 0.00 0.00 57.07 55.42 1ab2 s TYR 69 Cb -0.12 -0.79 0.97 0.00 -1.10 0.00 0.00 41.96 40.91 1ab2 s TYR 69 CO 0.00 -0.63 1.77 0.28 -2.51 0.00 0.00 175.55 174.46 1ab2 h VAL 70 N 6.42 0.00 -3.33 -3.49 2.07 -1.80 -3.42 116.25 112.70 1ab2 h VAL 70 Ca -0.17 -0.41 -0.23 0.00 0.82 0.00 0.00 66.70 66.71 1ab2 h VAL 70 Cb 1.10 1.28 -0.30 0.00 -1.52 0.00 0.00 31.29 31.84 1ab2 h VAL 70 CO 0.35 0.00 -0.60 -0.55 0.02 0.00 0.00 177.57 176.79 1ab2 s SER 71 N -4.76 -0.10 0.60 0.57 0.15 -1.12 -4.66 113.70 104.37 1ab2 s SER 71 Ca 0.05 0.27 0.28 0.00 0.70 0.00 0.00 55.95 57.24 1ab2 s SER 71 Cb 0.10 0.19 1.50 0.00 -1.71 0.00 0.00 66.02 66.10 1ab2 s SER 71 CO 0.49 -0.11 1.83 0.77 1.20 0.00 0.00 173.24 177.42 1ab2 h SER 72 N 6.84 0.00 0.31 5.45 4.64 -1.93 1.83 113.55 130.70 1ab2 h SER 72 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1ab2 h SER 72 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1ab2 h SER 72 CO 0.43 0.00 -0.82 1.21 -0.87 0.00 0.00 176.83 176.78 1ab2 n GLU 73 N -2.74 0.09 -3.74 4.77 2.13 -1.26 -4.79 120.64 115.09 1ab2 n GLU 73 Ca -0.02 -0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.55 1ab2 n GLU 73 Cb 0.35 -1.53 -0.17 0.00 0.27 0.00 0.00 31.44 30.36 1ab2 n GLU 73 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1ab2 s SER 74 N -3.27 2.20 0.01 4.31 0.01 0.62 -5.13 113.70 112.45 1ab2 s SER 74 Ca 0.08 -0.43 0.03 0.00 1.31 0.00 0.00 55.95 56.94 1ab2 s SER 74 Cb 0.16 -0.49 -0.01 0.00 0.21 0.00 0.00 66.02 65.89 1ab2 s SER 74 CO 0.79 -0.25 -0.10 -0.13 0.41 0.00 0.00 173.24 173.95 1ab2 s ARG 75 N 1.94 0.77 0.17 12.44 0.52 -1.25 -2.79 118.95 130.74 1ab2 s ARG 75 Ca 0.02 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 54.76 1ab2 s ARG 75 Cb -0.15 -0.73 -0.04 0.00 0.52 0.00 0.00 34.95 34.55 1ab2 s ARG 75 CO -0.07 0.19 0.05 -0.06 0.02 0.00 0.00 175.30 175.43 1ab2 s PHE 76 N -0.48 1.09 -0.11 -0.53 0.08 0.35 -4.95 117.98 113.44 1ab2 s PHE 76 Ca 0.02 -1.17 0.17 0.00 0.12 0.00 0.00 56.93 56.07 1ab2 s PHE 76 Cb -0.05 -0.61 -0.25 0.00 -0.57 0.00 0.00 43.02 41.53 1ab2 s PHE 76 CO 0.00 -0.40 0.22 0.09 -0.10 0.00 0.00 175.22 175.03 1ab2 n ASN 77 N -0.21 0.68 -4.16 1.36 4.13 -1.26 0.26 115.26 116.06 1ab2 n ASN 77 Ca -0.04 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 55.91 1ab2 n ASN 77 Cb 0.64 1.36 -0.17 0.00 -1.54 0.00 0.00 39.78 40.07 1ab2 n ASN 77 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1ab2 s THR 78 N -2.83 1.81 0.22 3.41 2.01 -1.26 -4.48 115.64 114.52 1ab2 s THR 78 Ca -0.08 -0.87 -0.15 0.00 0.31 0.00 0.00 61.69 60.90 1ab2 s THR 78 Cb 0.08 -1.59 0.26 0.00 0.01 0.00 0.00 72.50 71.26 1ab2 s THR 78 CO 0.75 0.50 1.58 0.17 -0.69 0.00 0.00 174.62 176.94 1ab2 h LEU 79 N 6.90 -1.01 -0.66 4.42 -0.00 -1.91 0.27 115.31 123.32 1ab2 h LEU 79 Ca -0.24 0.25 0.10 0.00 -0.00 0.00 0.00 57.88 57.99 1ab2 h LEU 79 Cb 1.22 0.58 -0.11 0.00 -0.00 0.00 0.00 40.66 42.34 1ab2 h LEU 79 CO 0.48 -0.28 -0.43 0.00 -0.00 0.00 0.00 178.44 178.20 1ab2 h ALA 80 N 1.49 -0.26 -0.65 0.17 0.00 -1.98 1.76 119.26 119.78 1ab2 h ALA 80 Ca 0.34 0.13 0.19 0.00 0.00 0.00 0.00 54.91 55.57 1ab2 h ALA 80 Cb 0.58 0.99 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1ab2 h ALA 80 CO -0.82 -0.80 0.55 0.93 0.00 0.00 0.00 179.25 179.11 1ab2 h GLU 81 N -0.18 0.00 0.35 0.00 4.39 -0.90 0.37 114.58 118.61 1ab2 h GLU 81 Ca 0.20 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 1ab2 h GLU 81 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1ab2 h GLU 81 CO -0.74 0.00 -0.17 1.25 -1.16 0.00 0.00 179.01 178.19 1ab2 h LEU 82 N 0.00 -0.40 -1.08 1.33 5.85 0.34 -2.68 115.31 118.67 1ab2 h LEU 82 Ca 0.31 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1ab2 h LEU 82 Cb 1.41 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.50 1ab2 h LEU 82 CO -0.00 0.01 0.55 1.62 -0.34 0.00 0.00 178.44 180.27 1ab2 h VAL 83 N -0.89 1.23 -0.51 1.05 3.04 0.15 0.14 116.25 120.46 1ab2 h VAL 83 Ca -0.05 -0.48 0.10 0.00 -1.01 0.00 0.00 66.70 65.27 1ab2 h VAL 83 Cb 0.53 -0.02 -0.10 0.00 -2.01 0.00 0.00 31.29 29.69 1ab2 h VAL 83 CO 0.08 0.24 -0.18 -0.74 -1.01 0.00 0.00 177.57 175.96 1ab2 h HIS 84 N 1.20 -0.42 -0.24 3.17 2.76 -0.33 2.24 115.15 123.52 1ab2 h HIS 84 Ca 0.32 0.05 -0.19 0.00 -2.20 0.00 0.00 60.37 58.35 1ab2 h HIS 84 Cb -0.09 0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.14 1ab2 h HIS 84 CO 0.00 -0.27 -0.60 1.25 -1.30 0.00 0.00 177.93 177.02 1ab2 h HIS 85 N -0.06 1.07 0.00 5.26 6.17 -1.05 -2.52 115.15 124.01 1ab2 h HIS 85 Ca 0.24 -0.41 0.00 0.00 0.71 0.00 0.00 60.37 60.92 1ab2 h HIS 85 Cb 0.43 -0.19 0.00 0.00 2.52 0.00 0.00 27.41 30.18 1ab2 h HIS 85 CO -0.48 1.23 0.00 0.72 0.71 0.00 0.00 177.93 180.12 1ab2 n HIS 86 N -4.02 0.00 0.15 5.26 -0.00 0.42 -1.05 115.22 115.99 1ab2 n HIS 86 Ca -0.05 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.72 1ab2 n HIS 86 Cb 0.65 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.70 1ab2 n HIS 86 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 1ab2 h SER 87 N 0.00 0.00 0.00 0.41 0.02 0.41 -3.35 113.55 111.03 1ab2 h SER 87 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ab2 h SER 87 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ab2 h SER 87 CO 0.00 0.35 -0.64 0.35 -1.14 0.00 0.00 176.83 175.75 1ab2 n THR 88 N -3.15 0.00 -3.79 -2.27 -2.24 -1.08 -4.78 114.28 96.97 1ab2 n THR 88 Ca 0.02 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.51 1ab2 n THR 88 Cb 0.68 -0.47 -0.12 0.00 -2.10 0.00 0.00 70.33 68.31 1ab2 n THR 88 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ab2 s VAL 89 N -1.71 2.10 -1.16 2.28 1.01 -0.21 -5.02 120.40 117.69 1ab2 s VAL 89 Ca 0.00 -3.44 -0.21 0.00 0.00 0.00 0.00 61.98 58.33 1ab2 s VAL 89 Cb 0.00 -2.42 -0.06 0.00 0.00 0.00 0.00 36.38 33.90 1ab2 s VAL 89 CO 0.00 -0.97 1.90 0.00 0.00 0.00 0.00 175.10 176.03 1ab2 n ALA 90 N 2.70 2.62 1.68 5.51 0.00 -1.26 -4.01 120.51 127.75 1ab2 n ALA 90 Ca 0.16 -3.30 0.08 0.00 0.00 0.00 0.00 53.44 50.37 1ab2 n ALA 90 Cb 0.36 -3.54 0.45 0.00 0.00 0.00 0.00 19.45 16.72 1ab2 n ALA 90 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ab2 n ASP 91 N 11.58 0.00 0.05 0.00 9.92 -1.26 -4.20 116.55 132.63 1ab2 n ASP 91 Ca 0.47 -1.20 0.00 0.00 -0.53 0.00 0.00 54.79 53.53 1ab2 n ASP 91 Cb 0.45 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 1ab2 n ASP 91 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ab2 n GLY 92 N 0.53 -0.17 3.76 0.44 0.00 -1.26 -4.50 105.19 103.98 1ab2 n GLY 92 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1ab2 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ab2 s LEU 93 N -5.75 4.43 0.04 0.99 1.43 -1.26 -4.95 118.68 113.61 1ab2 s LEU 93 Ca 0.00 2.60 -0.24 0.00 -1.03 0.00 0.00 54.13 55.46 1ab2 s LEU 93 Cb 0.00 -3.64 -0.13 0.00 0.03 0.00 0.00 46.19 42.46 1ab2 s LEU 93 CO 0.00 -0.52 1.36 -0.29 0.23 0.00 0.00 176.35 177.13 1ab2 h ILE 94 N 3.22 0.00 -3.38 -0.59 -0.00 -1.98 -3.43 117.51 111.35 1ab2 h ILE 94 Ca -0.48 0.00 -0.29 0.00 -0.00 0.00 0.00 64.86 64.10 1ab2 h ILE 94 Cb 1.22 0.00 0.11 0.00 -0.00 0.00 0.00 36.82 38.15 1ab2 h ILE 94 CO 0.69 0.00 0.26 1.07 -0.00 0.00 0.00 178.15 180.17 1ab2 n THR 95 N -4.31 0.00 -3.71 2.19 5.66 -1.26 -4.94 114.28 107.90 1ab2 n THR 95 Ca -0.10 -0.69 -0.23 0.00 -3.05 0.00 0.00 64.05 59.98 1ab2 n THR 95 Cb 0.33 -1.61 -0.18 0.00 -1.55 0.00 0.00 70.33 67.32 1ab2 n THR 95 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ab2 s THR 96 N -2.83 0.17 0.36 1.09 -4.23 -1.26 -4.82 115.64 104.11 1ab2 s THR 96 Ca 0.49 0.13 -0.17 0.00 -1.18 0.00 0.00 61.69 60.96 1ab2 s THR 96 Cb -0.01 -0.46 -0.13 0.00 1.34 0.00 0.00 72.50 73.24 1ab2 s THR 96 CO 0.34 0.12 0.02 0.00 -0.54 0.00 0.00 174.62 174.57 1ab2 n LEU 97 N 5.21 -2.58 0.00 4.79 -0.00 -1.26 -4.95 117.00 118.20 1ab2 n LEU 97 Ca -0.06 0.64 0.00 0.00 -0.00 0.00 0.00 56.01 56.59 1ab2 n LEU 97 Cb 0.50 -0.73 0.00 0.00 -0.00 0.00 0.00 43.42 43.19 1ab2 n LEU 97 CO 0.09 -3.64 0.00 1.57 -0.00 0.00 0.00 177.39 175.41 1ab2 n HIS 98 N -0.96 0.00 -3.84 1.47 -0.00 -1.26 -4.92 115.22 105.71 1ab2 n HIS 98 Ca 0.09 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.50 1ab2 n HIS 98 Cb 0.35 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 30.19 1ab2 n HIS 98 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 1ab2 s TYR 99 N 0.00 2.38 -0.97 1.57 1.13 -1.26 -5.06 117.35 115.13 1ab2 s TYR 99 Ca 0.00 -2.10 -0.24 0.00 -1.41 0.00 0.00 57.07 53.32 1ab2 s TYR 99 Cb 0.00 -2.05 0.00 0.00 -1.10 0.00 0.00 41.96 38.81 1ab2 s TYR 99 CO 0.00 -0.88 1.70 -1.25 -2.51 0.00 0.00 175.55 172.61 1ab2 s PRO 100 N 1.39 3.09 0.67 -3.49 0.04 -1.26 -4.75 135.00 130.68 1ab2 s PRO 100 Ca 0.08 -0.75 -0.16 0.00 0.04 0.00 0.00 61.00 60.22 1ab2 s PRO 100 Cb -0.18 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.14 1ab2 s PRO 100 CO -0.18 -2.80 1.16 0.00 0.04 0.00 0.00 177.00 175.23 1ab2 s ALA 101 N 7.49 2.37 0.35 8.56 0.00 -1.26 -4.59 121.76 134.67 1ab2 s ALA 101 Ca 0.58 0.76 -0.26 0.00 0.00 0.00 0.00 51.96 53.04 1ab2 s ALA 101 Cb -0.03 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 1ab2 s ALA 101 CO -0.05 -1.44 1.07 -1.25 0.00 0.00 0.00 175.76 174.09 1ab2 s PRO 102 N -3.84 4.37 -0.97 0.00 0.04 -1.26 -4.57 135.00 128.77 1ab2 s PRO 102 Ca 0.72 1.63 -0.18 0.00 0.04 0.00 0.00 61.00 63.20 1ab2 s PRO 102 Cb -0.25 -2.82 0.13 0.00 0.04 0.00 0.00 34.50 31.60 1ab2 s PRO 102 CO 0.40 0.02 1.18 0.15 0.04 0.00 0.00 177.00 178.79 1ab2 s LYS 103 N -2.04 3.67 0.15 4.56 1.02 -1.26 -5.00 119.74 120.84 1ab2 s LYS 103 Ca 0.52 -1.86 -0.30 0.00 0.02 0.00 0.00 55.97 54.35 1ab2 s LYS 103 Cb -0.26 -4.95 -0.07 0.00 -0.52 0.00 0.00 37.83 32.03 1ab2 s LYS 103 CO 0.33 -1.79 1.01 1.03 -0.92 0.00 0.00 175.35 175.02 1ab2 s ARG 104 N 2.60 4.67 0.00 1.68 0.52 -1.26 -4.65 118.95 122.52 1ab2 s ARG 104 Ca 0.35 1.56 0.00 0.00 -0.52 0.00 0.00 55.73 57.12 1ab2 s ARG 104 Cb -0.04 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 32.10 1ab2 s ARG 104 CO -0.08 0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.84 1ab2 n GLY 105 N 2.09 0.32 3.59 -3.53 0.00 -1.26 -4.94 105.19 101.47 1ab2 n GLY 105 Ca 0.02 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 1ab2 n GLY 105 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ab2 s ILE 106 N 0.00 4.16 0.00 -0.61 -1.16 -1.26 -3.59 121.20 118.74 1ab2 s ILE 106 Ca 0.00 1.11 0.00 0.00 -0.51 0.00 0.00 60.65 61.25 1ab2 s ILE 106 Cb 0.00 -4.64 0.00 0.00 0.61 0.00 0.00 42.46 38.43 1ab2 s ILE 106 CO 0.00 -1.11 0.00 1.41 -2.81 0.00 0.00 174.94 172.43 1ab2 n HIS 107 N 8.00 0.00 -0.36 3.50 8.25 -1.26 -4.53 115.22 128.82 1ab2 n HIS 107 Ca 0.11 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.53 1ab2 n HIS 107 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1ab2 n HIS 107 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ab2 n ARG 108 N 0.00 -0.27 0.00 -0.41 3.00 -1.26 -5.30 116.66 112.42 1ab2 n ARG 108 Ca 0.00 1.41 0.15 0.00 -0.01 0.00 0.00 57.85 59.39 1ab2 n ARG 108 Cb 0.00 -2.08 0.65 0.00 0.00 0.00 0.00 32.46 31.03 1ab2 n ARG 108 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16