#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 -5.95 -4.77 1.61 3.41 -1.26 -4.79 113.62 101.87 1ab2 n SER 2 Ca 0.00 0.07 -0.41 0.00 -0.26 0.00 0.00 58.87 58.27 1ab2 n SER 2 Cb 0.00 -1.72 -0.01 0.00 -0.26 0.00 0.00 64.21 62.23 1ab2 n SER 2 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ab2 s GLY 3 N -1.32 2.74 0.21 5.00 0.00 -1.26 -4.83 107.32 107.86 1ab2 s GLY 3 Ca 0.24 1.52 0.00 0.00 0.00 0.00 0.00 44.72 46.48 1ab2 s GLY 3 CO 0.56 2.28 0.00 0.70 0.00 0.00 0.00 173.10 176.63 1ab2 n ASN 4 N 0.98 -1.24 -4.37 1.64 4.13 -1.26 -5.01 115.26 110.13 1ab2 n ASN 4 Ca 0.03 0.38 -0.46 0.00 1.68 0.00 0.00 54.58 56.21 1ab2 n ASN 4 Cb 0.39 1.34 -0.01 0.00 -1.54 0.00 0.00 39.78 39.96 1ab2 n ASN 4 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1ab2 s SER 5 N -3.44 6.94 -0.35 6.41 0.15 -1.26 -4.70 113.70 117.45 1ab2 s SER 5 Ca 0.00 -2.88 0.14 0.00 0.70 0.00 0.00 55.95 53.92 1ab2 s SER 5 Cb 0.00 -2.26 0.43 0.00 -1.71 0.00 0.00 66.02 62.48 1ab2 s SER 5 CO 0.00 -0.59 1.24 0.00 1.20 0.00 0.00 173.24 175.09 1ab2 n LEU 6 N 4.21 -0.39 -3.40 3.45 -0.00 -1.26 -5.01 117.00 114.61 1ab2 n LEU 6 Ca 0.21 -3.43 -0.35 0.00 -0.00 0.00 0.00 56.01 52.44 1ab2 n LEU 6 Cb 0.45 0.21 -0.02 0.00 -0.00 0.00 0.00 43.42 44.06 1ab2 n LEU 6 CO 0.43 1.65 2.71 -0.62 -0.00 0.00 0.00 177.39 181.56 1ab2 n GLU 7 N -0.62 2.64 0.00 1.47 1.02 -1.26 -4.80 120.64 119.08 1ab2 n GLU 7 Ca -0.01 -1.98 0.00 0.00 -0.02 0.00 0.00 57.16 55.15 1ab2 n GLU 7 Cb 0.84 -2.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 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 4.87 0.00 -2.94 3.49 3.00 -1.26 -4.83 118.16 120.48 1ab2 n LYS 8 Ca 0.58 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.70 1ab2 n LYS 8 Cb 0.26 -0.11 0.06 0.00 0.00 0.00 0.00 35.03 35.23 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 -2.13 0.18 5.64 8.25 -1.26 -4.97 115.22 120.93 1ab2 n HIS 9 Ca 0.00 -2.00 -0.03 0.00 -0.26 0.00 0.00 57.72 55.43 1ab2 n HIS 9 Cb 0.00 -0.50 0.02 0.00 1.12 0.00 0.00 29.99 30.62 1ab2 n HIS 9 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ab2 n SER 10 N -2.31 4.16 0.00 0.41 7.64 -1.25 -2.29 113.62 119.97 1ab2 n SER 10 Ca 0.13 -2.34 0.00 0.00 1.01 0.00 0.00 58.87 57.67 1ab2 n SER 10 Cb 0.56 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1ab2 n SER 10 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1ab2 n TRP 11 N 0.70 0.00 -3.83 1.43 4.27 -1.26 -1.21 117.44 117.55 1ab2 n TRP 11 Ca 0.07 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.32 1ab2 n TRP 11 Cb 0.58 0.07 -0.13 0.00 -1.36 0.00 0.00 31.31 30.47 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 0.00 3.13 -0.10 -2.67 5.04 -0.97 -4.55 117.35 117.23 1ab2 s TYR 12 Ca 0.00 -1.20 0.15 0.00 -2.44 0.00 0.00 57.07 53.58 1ab2 s TYR 12 Cb 0.00 -2.19 0.23 0.00 0.35 0.00 0.00 41.96 40.35 1ab2 s TYR 12 CO 0.00 -0.63 1.12 -2.39 -1.34 0.00 0.00 175.55 172.30 1ab2 n HIS 13 N 4.79 0.00 0.00 4.97 1.44 -1.26 -4.56 115.22 120.61 1ab2 n HIS 13 Ca -0.15 -0.80 0.00 0.00 -2.01 0.00 0.00 57.72 54.76 1ab2 n HIS 13 Cb 0.47 -0.13 0.00 0.00 0.12 0.00 0.00 29.99 30.46 1ab2 n HIS 13 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ab2 n GLY 14 N -1.15 -0.40 3.68 -1.39 0.00 -1.26 -5.00 105.19 99.67 1ab2 n GLY 14 Ca 0.13 -2.26 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.51 4.30 -0.12 1.61 0.04 -1.26 -4.70 135.00 134.36 1ab2 s PRO 15 Ca 0.00 1.69 -0.13 0.00 0.04 0.00 0.00 61.00 62.60 1ab2 s PRO 15 Cb 0.00 -3.65 -0.05 0.00 0.04 0.00 0.00 34.50 30.85 1ab2 s PRO 15 CO 0.00 -0.56 0.28 0.08 0.04 0.00 0.00 177.00 176.84 1ab2 s VAL 16 N 2.76 5.29 -0.01 -0.36 1.01 -1.26 -4.88 120.40 122.95 1ab2 s VAL 16 Ca 0.56 0.53 -0.30 0.00 0.00 0.00 0.00 61.98 62.77 1ab2 s VAL 16 Cb -0.24 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1ab2 s VAL 16 CO 0.19 0.47 1.18 -0.44 0.00 0.00 0.00 175.10 176.50 1ab2 s SER 17 N -0.11 7.09 0.01 3.32 0.01 -1.26 -4.66 113.70 118.10 1ab2 s SER 17 Ca 0.17 1.87 -0.25 0.00 1.31 0.00 0.00 55.95 59.06 1ab2 s SER 17 Cb -0.13 -2.57 -0.15 0.00 0.21 0.00 0.00 66.02 63.38 1ab2 s SER 17 CO 0.06 -0.51 1.09 0.03 0.41 0.00 0.00 173.24 174.31 1ab2 h ARG 18 N 7.16 -0.70 -0.52 12.44 3.08 -1.97 1.03 114.38 134.90 1ab2 h ARG 18 Ca -0.37 0.05 0.09 0.00 0.07 0.00 0.00 59.98 59.81 1ab2 h ARG 18 Cb 1.19 0.16 -0.10 0.00 0.08 0.00 0.00 29.97 31.29 1ab2 h ARG 18 CO 0.84 -0.41 -0.38 -0.91 -1.07 0.00 0.00 179.97 178.05 1ab2 h ASN 19 N -1.08 -1.29 -0.39 7.04 2.35 -2.00 0.22 115.58 120.43 1ab2 h ASN 19 Ca -0.07 0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 1ab2 h ASN 19 Cb 0.62 0.60 -0.02 0.00 0.05 0.00 0.00 38.32 39.58 1ab2 h ASN 19 CO 0.12 -0.33 0.12 0.00 -1.65 0.00 0.00 177.43 175.69 1ab2 h ALA 20 N 0.76 0.51 -0.76 -0.83 0.00 -1.97 -2.57 119.26 114.39 1ab2 h ALA 20 Ca 0.19 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.07 1ab2 h ALA 20 Cb 0.56 -0.15 -0.14 0.00 0.00 0.00 0.00 17.79 18.06 1ab2 h ALA 20 CO -0.64 0.16 -0.30 0.00 0.00 0.00 0.00 179.25 178.46 1ab2 h ALA 21 N 0.96 0.20 -0.59 0.00 0.00 0.36 2.15 119.26 122.35 1ab2 h ALA 21 Ca 0.12 0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1ab2 h ALA 21 Cb 0.27 0.77 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1ab2 h ALA 21 CO -0.00 -0.57 0.39 0.93 0.00 0.00 0.00 179.25 180.00 1ab2 h GLU 22 N -0.07 0.77 0.04 0.00 5.08 -0.48 0.37 114.58 120.28 1ab2 h GLU 22 Ca 0.31 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1ab2 h GLU 22 Cb 0.58 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1ab2 h GLU 22 CO -0.80 0.51 -0.02 -0.92 -1.00 0.00 0.00 179.01 176.77 1ab2 h TYR 23 N 0.79 -0.05 -1.08 4.33 5.03 0.17 -3.32 116.97 122.84 1ab2 h TYR 23 Ca 0.22 -0.00 0.30 0.00 2.58 0.00 0.00 58.73 61.82 1ab2 h TYR 23 Cb -0.08 0.02 -0.11 0.00 1.55 0.00 0.00 36.73 38.10 1ab2 h TYR 23 CO -0.00 -0.03 0.68 1.37 -1.32 0.00 0.00 178.16 178.86 1ab2 h LEU 24 N -0.22 0.45 -5.47 2.82 8.10 0.29 -2.58 115.31 118.70 1ab2 h LEU 24 Ca -0.01 0.11 -0.30 0.00 0.11 0.00 0.00 57.88 57.80 1ab2 h LEU 24 Cb 0.04 0.05 0.01 0.00 -0.44 0.00 0.00 40.66 40.32 1ab2 h LEU 24 CO 0.01 0.02 2.20 -0.11 -4.11 0.00 0.00 178.44 176.45 1ab2 n LEU 25 N -4.71 4.00 -0.09 0.17 7.94 0.13 -4.20 117.00 120.24 1ab2 n LEU 25 Ca 0.28 -2.52 -0.13 0.00 -1.11 0.00 0.00 56.01 52.53 1ab2 n LEU 25 Cb 0.97 -0.97 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 1ab2 n LEU 25 CO 0.22 0.32 -0.39 0.77 -1.11 0.00 0.00 177.39 177.20 1ab2 h SER 26 N 6.47 0.00 0.00 1.96 4.64 -1.69 -3.46 113.55 121.48 1ab2 h SER 26 Ca 0.39 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1ab2 h SER 26 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1ab2 h SER 26 CO 1.31 1.10 -0.51 -0.24 -0.87 0.00 0.00 176.83 177.61 1ab2 n SER 27 N -4.54 1.30 0.00 4.97 2.88 -1.26 -5.06 113.62 111.92 1ab2 n SER 27 Ca -0.19 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1ab2 n SER 27 Cb 0.46 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 1ab2 n SER 27 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ab2 n GLY 28 N 2.18 0.66 4.04 0.46 0.00 -1.26 -4.72 105.19 106.55 1ab2 n GLY 28 Ca -0.07 -0.50 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 1ab2 n GLY 28 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ab2 s ILE 29 N 0.00 1.99 -2.00 -0.61 -4.36 -1.26 -4.97 121.20 110.00 1ab2 s ILE 29 Ca 0.00 -1.02 0.18 0.00 -0.26 0.00 0.00 60.65 59.55 1ab2 s ILE 29 Cb 0.00 -2.01 0.51 0.00 1.25 0.00 0.00 42.46 42.21 1ab2 s ILE 29 CO 0.00 0.00 1.59 -3.20 0.24 0.00 0.00 174.94 173.57 1ab2 n ASN 30 N -2.29 0.00 0.00 4.36 2.85 -1.26 -4.70 115.26 114.22 1ab2 n ASN 30 Ca 0.16 -1.15 0.00 0.00 -0.11 0.00 0.00 54.58 53.49 1ab2 n ASN 30 Cb 0.62 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.64 1ab2 n ASN 30 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ab2 n GLY 31 N 0.59 1.18 3.48 8.20 0.00 -1.24 -3.52 105.19 113.87 1ab2 n GLY 31 Ca 0.13 0.37 -0.08 0.00 0.00 0.00 0.00 46.02 46.45 1ab2 n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ab2 s SER 32 N 0.00 -0.75 -0.24 1.61 1.04 -0.80 -4.69 113.70 109.87 1ab2 s SER 32 Ca 0.00 1.26 -0.03 0.00 0.48 0.00 0.00 55.95 57.66 1ab2 s SER 32 Cb 0.00 1.29 0.01 0.00 0.10 0.00 0.00 66.02 67.42 1ab2 s SER 32 CO 0.00 -0.22 -0.05 0.72 0.98 0.00 0.00 173.24 174.67 1ab2 s PHE 33 N 1.81 3.03 -0.21 5.02 -0.71 -1.26 0.15 117.98 125.81 1ab2 s PHE 33 Ca -0.08 -1.34 -0.01 0.00 -1.04 0.00 0.00 56.93 54.46 1ab2 s PHE 33 Cb -0.08 -2.08 0.06 0.00 -1.21 0.00 0.00 43.02 39.71 1ab2 s PHE 33 CO -0.17 -0.67 -0.02 -0.48 -1.34 0.00 0.00 175.22 172.54 1ab2 s LEU 34 N 1.38 2.00 0.59 -1.99 2.34 0.85 -4.83 118.68 119.03 1ab2 s LEU 34 Ca 0.02 -1.00 -0.17 0.00 0.06 0.00 0.00 54.13 53.04 1ab2 s LEU 34 Cb -0.16 -0.96 -0.03 0.00 -0.56 0.00 0.00 46.19 44.48 1ab2 s LEU 34 CO -0.04 -0.25 1.08 0.54 -1.06 0.00 0.00 176.35 176.62 1ab2 s VAL 35 N 1.57 3.53 0.15 1.48 0.11 -1.26 -1.94 120.40 124.04 1ab2 s VAL 35 Ca -0.04 0.78 0.01 0.00 -2.93 0.00 0.00 61.98 59.80 1ab2 s VAL 35 Cb -0.18 -3.29 -0.00 0.00 -1.53 0.00 0.00 36.38 31.38 1ab2 s VAL 35 CO -0.07 -0.38 0.04 0.54 -3.33 0.00 0.00 175.10 171.90 1ab2 n ARG 36 N -1.93 1.03 -3.73 1.54 1.74 0.55 -4.00 116.66 111.87 1ab2 n ARG 36 Ca 0.10 -1.18 -0.12 0.00 -0.77 0.00 0.00 57.85 55.88 1ab2 n ARG 36 Cb 0.52 0.55 -0.11 0.00 -1.02 0.00 0.00 32.46 32.40 1ab2 n ARG 36 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1ab2 s GLU 37 N -2.55 0.36 0.08 5.56 2.02 -1.26 -2.52 118.70 120.39 1ab2 s GLU 37 Ca 0.05 0.60 -0.31 0.00 0.02 0.00 0.00 54.97 55.33 1ab2 s GLU 37 Cb 0.00 0.05 -0.06 0.00 0.10 0.00 0.00 34.13 34.22 1ab2 s GLU 37 CO 0.04 -0.11 1.24 -1.12 0.02 0.00 0.00 175.26 175.33 1ab2 s SER 38 N 0.84 7.02 -0.54 -0.19 0.01 -1.06 -4.86 113.70 114.92 1ab2 s SER 38 Ca -0.05 2.10 0.01 0.00 1.31 0.00 0.00 55.95 59.32 1ab2 s SER 38 Cb -0.06 -2.58 0.46 0.00 0.21 0.00 0.00 66.02 64.05 1ab2 s SER 38 CO -0.06 -0.51 1.78 1.21 0.41 0.00 0.00 173.24 176.07 1ab2 n GLU 39 N 3.84 2.89 0.00 12.44 2.13 -1.26 -4.37 120.64 136.31 1ab2 n GLU 39 Ca 0.09 -3.51 0.00 0.00 0.66 0.00 0.00 57.16 54.40 1ab2 n GLU 39 Cb 0.45 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 29.90 1ab2 n GLU 39 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1ab2 n SER 40 N -0.88 0.00 -4.59 4.31 3.41 -1.26 -5.17 113.62 109.44 1ab2 n SER 40 Ca 0.57 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.89 1ab2 n SER 40 Cb 0.80 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.66 1ab2 n SER 40 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ab2 s SER 41 N 0.00 3.62 0.00 4.04 1.04 -1.26 -5.01 113.70 116.13 1ab2 s SER 41 Ca 0.00 -1.51 0.20 0.00 0.48 0.00 0.00 55.95 55.13 1ab2 s SER 41 Cb 0.00 0.08 1.22 0.00 0.10 0.00 0.00 66.02 67.42 1ab2 s SER 41 CO 0.00 -0.67 1.64 -0.81 0.98 0.00 0.00 173.24 174.38 1ab2 n PRO 42 N -1.03 0.75 0.00 4.02 -0.04 -1.26 -4.67 135.00 132.77 1ab2 n PRO 42 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1ab2 n PRO 42 Cb 0.67 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1ab2 n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ab2 n GLY 43 N 0.46 0.84 3.38 0.55 0.00 -1.26 -5.16 105.19 104.00 1ab2 n GLY 43 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 1.40 0.38 1.61 -2.07 -1.26 -5.08 119.66 114.63 1ab2 s GLN 44 Ca 0.00 -1.46 0.01 0.00 -1.82 0.00 0.00 55.36 52.09 1ab2 s GLN 44 Cb 0.00 -1.64 0.01 0.00 -1.09 0.00 0.00 33.01 30.29 1ab2 s GLN 44 CO 0.00 0.35 0.08 0.54 -1.32 0.00 0.00 175.29 174.95 1ab2 n ARG 45 N 0.35 1.05 -4.22 9.60 3.00 -1.26 -2.57 116.66 122.61 1ab2 n ARG 45 Ca -0.13 -2.62 -0.13 0.00 -0.01 0.00 0.00 57.85 54.95 1ab2 n ARG 45 Cb 0.56 0.59 -0.10 0.00 0.00 0.00 0.00 32.46 33.51 1ab2 n ARG 45 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1ab2 s SER 46 N -3.11 1.55 -0.07 0.55 1.04 -1.05 -1.69 113.70 110.92 1ab2 s SER 46 Ca 0.06 -1.01 0.02 0.00 0.48 0.00 0.00 55.95 55.50 1ab2 s SER 46 Cb -0.01 0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.16 1ab2 s SER 46 CO 0.04 -0.38 -0.12 -0.51 0.98 0.00 0.00 173.24 173.25 1ab2 s ILE 47 N -3.44 1.14 -0.30 -1.02 1.10 -0.90 -0.33 121.20 117.46 1ab2 s ILE 47 Ca 0.15 -0.47 0.03 0.00 -0.51 0.00 0.00 60.65 59.85 1ab2 s ILE 47 Cb 0.04 -1.05 0.08 0.00 0.15 0.00 0.00 42.46 41.68 1ab2 s ILE 47 CO -0.01 0.36 -0.00 -0.94 -2.11 0.00 0.00 174.94 172.23 1ab2 s SER 48 N 0.76 4.44 -0.08 4.50 1.04 -0.82 -2.73 113.70 120.83 1ab2 s SER 48 Ca -0.13 -1.74 0.03 0.00 0.48 0.00 0.00 55.95 54.60 1ab2 s SER 48 Cb -0.16 -1.44 0.01 0.00 0.10 0.00 0.00 66.02 64.53 1ab2 s SER 48 CO 0.03 -0.31 -0.18 -1.48 0.98 0.00 0.00 173.24 172.28 1ab2 s LEU 49 N 1.12 1.86 0.17 2.42 2.34 -1.13 0.29 118.68 125.75 1ab2 s LEU 49 Ca 0.03 -0.41 0.10 0.00 0.06 0.00 0.00 54.13 53.91 1ab2 s LEU 49 Cb -0.19 -1.08 -0.04 0.00 -0.56 0.00 0.00 46.19 44.32 1ab2 s LEU 49 CO -0.09 0.10 -0.18 -0.60 -1.06 0.00 0.00 176.35 174.52 1ab2 s ARG 50 N 0.44 1.73 0.00 1.48 3.52 0.12 0.02 118.95 126.27 1ab2 s ARG 50 Ca -0.15 -1.36 0.00 0.00 -0.13 0.00 0.00 55.73 54.09 1ab2 s ARG 50 Cb -0.16 -2.00 0.00 0.00 -1.56 0.00 0.00 34.95 31.23 1ab2 s ARG 50 CO 0.06 0.43 0.00 0.98 -0.81 0.00 0.00 175.30 175.96 1ab2 n TYR 51 N 0.35 0.00 -1.78 5.12 9.36 -1.00 -1.91 117.16 127.30 1ab2 n TYR 51 Ca -0.13 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.74 1ab2 n TYR 51 Cb 0.55 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.23 1ab2 n TYR 51 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 1ab2 s GLU 52 N 3.40 2.30 -0.86 2.98 -1.05 -1.23 -3.71 118.70 120.54 1ab2 s GLU 52 Ca 0.00 0.93 -0.03 0.00 -0.15 0.00 0.00 54.97 55.73 1ab2 s GLU 52 Cb 0.00 -4.54 0.03 0.00 -0.44 0.00 0.00 34.13 29.17 1ab2 s GLU 52 CO 0.00 -3.14 0.07 0.41 0.95 0.00 0.00 175.26 173.54 1ab2 n GLY 53 N 5.98 -0.09 3.51 -3.83 0.00 -1.26 -4.82 105.19 104.67 1ab2 n GLY 53 Ca 0.31 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.31 1ab2 n GLY 53 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ab2 s ARG 54 N -5.11 1.57 0.02 1.61 1.70 -1.24 -5.18 118.95 112.32 1ab2 s ARG 54 Ca 0.09 -1.41 0.02 0.00 -0.47 0.00 0.00 55.73 53.96 1ab2 s ARG 54 Cb -0.05 0.43 -0.02 0.00 -0.57 0.00 0.00 34.95 34.74 1ab2 s ARG 54 CO 0.53 -0.63 -0.07 0.54 -1.08 0.00 0.00 175.30 174.59 1ab2 s VAL 55 N -3.84 0.50 -0.10 4.99 0.11 -1.26 -2.37 120.40 118.43 1ab2 s VAL 55 Ca 0.27 -0.74 0.03 0.00 -2.93 0.00 0.00 61.98 58.60 1ab2 s VAL 55 Cb 0.01 -0.51 0.01 0.00 -1.53 0.00 0.00 36.38 34.35 1ab2 s VAL 55 CO 0.12 -0.18 -0.21 -0.31 -3.33 0.00 0.00 175.10 171.19 1ab2 s TYR 56 N -0.88 2.34 -0.36 1.54 2.02 0.10 -4.98 117.35 117.13 1ab2 s TYR 56 Ca -0.05 -1.02 -0.05 0.00 -0.37 0.00 0.00 57.07 55.58 1ab2 s TYR 56 Cb -0.07 -1.60 0.07 0.00 -0.40 0.00 0.00 41.96 39.96 1ab2 s TYR 56 CO 0.00 -0.45 0.13 -1.01 -1.57 0.00 0.00 175.55 172.65 1ab2 s HIS 57 N 0.59 3.35 -0.28 2.71 3.76 -1.26 -2.81 115.29 121.34 1ab2 s HIS 57 Ca -0.14 -1.81 0.03 0.00 -0.15 0.00 0.00 55.06 52.99 1ab2 s HIS 57 Cb -0.17 -2.57 0.07 0.00 1.11 0.00 0.00 32.58 31.02 1ab2 s HIS 57 CO 0.04 -0.83 -0.07 -0.47 -0.85 0.00 0.00 174.74 172.57 1ab2 s TYR 58 N 1.30 3.32 0.41 1.40 6.14 -1.10 -5.04 117.35 123.77 1ab2 s TYR 58 Ca 0.01 -2.45 -0.25 0.00 0.64 0.00 0.00 57.07 55.01 1ab2 s TYR 58 Cb -0.21 -2.15 -0.08 0.00 0.42 0.00 0.00 41.96 39.94 1ab2 s TYR 58 CO -0.00 -0.89 1.18 1.03 0.64 0.00 0.00 175.55 177.51 1ab2 s ARG 59 N 1.08 4.02 -0.68 4.97 0.52 -1.26 -2.11 118.95 125.49 1ab2 s ARG 59 Ca -0.04 1.85 -0.27 0.00 -0.52 0.00 0.00 55.73 56.75 1ab2 s ARG 59 Cb -0.20 -2.65 0.02 0.00 0.52 0.00 0.00 34.95 32.64 1ab2 s ARG 59 CO -0.06 -0.35 1.36 0.42 0.02 0.00 0.00 175.30 176.68 1ab2 s ILE 60 N -1.42 3.72 0.43 1.52 -1.09 -0.68 -4.92 121.20 118.76 1ab2 s ILE 60 Ca 0.58 0.48 -0.21 0.00 -2.23 0.00 0.00 60.65 59.27 1ab2 s ILE 60 Cb -0.31 -4.71 -0.10 0.00 -1.58 0.00 0.00 42.46 35.75 1ab2 s ILE 60 CO 0.39 -1.59 0.97 0.20 -1.23 0.00 0.00 174.94 173.68 1ab2 s ASN 61 N 4.26 6.87 0.19 3.58 0.01 -1.10 -4.49 114.94 124.26 1ab2 s ASN 61 Ca 0.42 1.74 0.08 0.00 -0.71 0.00 0.00 52.86 54.40 1ab2 s ASN 61 Cb -0.09 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 1ab2 s ASN 61 CO 0.18 -0.41 -0.01 -0.89 -1.51 0.00 0.00 177.10 174.46 1ab2 s THR 62 N -2.10 3.59 -0.26 1.60 2.01 -1.26 -0.42 115.64 118.80 1ab2 s THR 62 Ca 0.62 -1.56 -0.03 0.00 0.31 0.00 0.00 61.69 61.03 1ab2 s THR 62 Cb -0.11 -2.83 0.01 0.00 0.01 0.00 0.00 72.50 69.58 1ab2 s THR 62 CO 0.15 -0.17 2.71 0.00 -0.69 0.00 0.00 174.62 176.62 1ab2 n ALA 63 N -0.26 5.82 -2.82 7.40 0.00 0.42 -4.75 120.51 126.32 1ab2 n ALA 63 Ca -0.09 -2.05 -0.14 0.00 0.00 0.00 0.00 53.44 51.15 1ab2 n ALA 63 Cb 0.56 -1.86 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 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 1.21 -1.05 0.06 0.00 7.64 -1.26 -4.23 113.62 115.99 1ab2 n SER 64 Ca 0.37 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1ab2 n SER 64 Cb 0.64 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 1ab2 n SER 64 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1ab2 n ASP 65 N -1.40 -0.62 0.00 6.43 8.00 -1.26 -5.08 116.55 122.62 1ab2 n ASP 65 Ca 0.04 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.74 1ab2 n ASP 65 Cb 0.37 0.78 0.00 0.00 -0.02 0.00 0.00 41.12 42.25 1ab2 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ab2 n GLY 66 N 0.12 -0.42 3.45 0.44 0.00 -1.26 -5.14 105.19 102.37 1ab2 n GLY 66 Ca 0.00 0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 1ab2 n GLY 66 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ab2 n LYS 67 N 0.00 0.52 -3.76 1.61 0.00 -1.26 -4.60 118.16 110.67 1ab2 n LYS 67 Ca 0.00 0.19 -0.37 0.00 -0.00 0.00 0.00 58.31 58.13 1ab2 n LYS 67 Cb 0.00 -1.39 -0.12 0.00 -0.00 0.00 0.00 35.03 33.52 1ab2 n LYS 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1ab2 s LEU 68 N 2.09 4.77 0.23 -5.58 1.02 0.46 -0.44 118.68 121.24 1ab2 s LEU 68 Ca 0.62 -1.60 0.10 0.00 0.02 0.00 0.00 54.13 53.28 1ab2 s LEU 68 Cb -0.70 -1.85 -0.04 0.00 0.02 0.00 0.00 46.19 43.62 1ab2 s LEU 68 CO 0.59 -0.44 -0.13 -0.72 0.02 0.00 0.00 176.35 175.66 1ab2 s TYR 69 N 1.27 2.50 -0.12 0.29 -0.85 0.44 0.14 117.35 121.03 1ab2 s TYR 69 Ca 0.02 -0.27 0.07 0.00 -0.52 0.00 0.00 57.07 56.37 1ab2 s TYR 69 Cb -0.22 -1.16 -0.12 0.00 0.38 0.00 0.00 41.96 40.84 1ab2 s TYR 69 CO -0.01 0.59 -0.02 0.28 -1.52 0.00 0.00 175.55 174.87 1ab2 n VAL 70 N -0.29 0.77 -0.03 -3.49 0.31 -1.19 -2.72 118.33 111.69 1ab2 n VAL 70 Ca -0.09 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1ab2 n VAL 70 Cb 0.57 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 1ab2 n VAL 70 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ab2 n SER 71 N -2.58 0.80 0.00 4.52 2.88 -1.23 -4.86 113.62 113.15 1ab2 n SER 71 Ca -0.20 -0.91 0.00 0.00 -1.33 0.00 0.00 58.87 56.43 1ab2 n SER 71 Cb 0.83 0.17 0.00 0.00 -0.75 0.00 0.00 64.21 64.45 1ab2 n SER 71 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ab2 n SER 72 N -0.17 0.00 0.00 -3.46 3.41 -1.26 -4.65 113.62 107.49 1ab2 n SER 72 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1ab2 n SER 72 Cb 0.01 0.00 0.68 0.00 -0.26 0.00 0.00 64.21 64.63 1ab2 n SER 72 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1ab2 n GLU 73 N 0.00 0.68 -3.40 4.33 2.13 -1.26 -3.80 120.64 119.33 1ab2 n GLU 73 Ca 0.00 0.01 -0.26 0.00 0.66 0.00 0.00 57.16 57.57 1ab2 n GLU 73 Cb 0.00 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.12 1ab2 n GLU 73 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1ab2 n SER 74 N -1.03 1.16 -4.84 4.31 3.41 -1.26 -5.10 113.62 110.27 1ab2 n SER 74 Ca 0.17 -2.84 -0.38 0.00 -0.26 0.00 0.00 58.87 55.56 1ab2 n SER 74 Cb 0.09 -0.64 -0.06 0.00 -0.26 0.00 0.00 64.21 63.34 1ab2 n SER 74 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ab2 s ARG 75 N -1.16 3.93 0.02 4.33 0.52 -1.25 -3.20 118.95 122.15 1ab2 s ARG 75 Ca 0.34 0.43 0.00 0.00 -0.52 0.00 0.00 55.73 55.98 1ab2 s ARG 75 Cb 0.10 -3.20 -0.02 0.00 0.52 0.00 0.00 34.95 32.35 1ab2 s ARG 75 CO -0.12 0.67 -0.04 -0.06 0.02 0.00 0.00 175.30 175.77 1ab2 s PHE 76 N -1.12 0.32 -0.16 -0.53 0.08 0.38 -4.83 117.98 112.13 1ab2 s PHE 76 Ca 0.25 -0.50 0.19 0.00 0.12 0.00 0.00 56.93 56.99 1ab2 s PHE 76 Cb -0.17 -0.22 -0.11 0.00 -0.57 0.00 0.00 43.02 41.96 1ab2 s PHE 76 CO 0.14 -0.16 0.85 0.09 -0.10 0.00 0.00 175.22 176.04 1ab2 n ASN 77 N 1.65 0.77 -4.14 1.36 3.02 -1.26 0.18 115.26 116.84 1ab2 n ASN 77 Ca -0.23 0.32 -0.25 0.00 -0.03 0.00 0.00 54.58 54.39 1ab2 n ASN 77 Cb 0.55 0.40 -0.16 0.00 -0.61 0.00 0.00 39.78 39.97 1ab2 n ASN 77 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ab2 s THR 78 N -3.10 1.36 0.21 3.41 -4.23 -1.26 -4.88 115.64 107.16 1ab2 s THR 78 Ca -0.03 -0.70 -0.16 0.00 -1.18 0.00 0.00 61.69 59.62 1ab2 s THR 78 Cb 0.09 -1.16 0.22 0.00 1.34 0.00 0.00 72.50 73.00 1ab2 s THR 78 CO 0.81 0.39 1.59 0.17 -0.54 0.00 0.00 174.62 177.04 1ab2 h LEU 79 N 6.06 -1.01 -0.29 4.79 -0.00 -1.96 -0.12 115.31 122.77 1ab2 h LEU 79 Ca -0.34 0.24 0.03 0.00 -0.00 0.00 0.00 57.88 57.81 1ab2 h LEU 79 Cb 1.16 0.56 -0.06 0.00 -0.00 0.00 0.00 40.66 42.33 1ab2 h LEU 79 CO 0.48 -0.28 -0.38 0.00 -0.00 0.00 0.00 178.44 178.26 1ab2 h ALA 80 N 1.38 -0.62 -1.02 0.17 0.00 -1.99 1.05 119.26 118.22 1ab2 h ALA 80 Ca 0.31 0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.51 1ab2 h ALA 80 Cb 0.56 1.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 1ab2 h ALA 80 CO -0.77 -0.81 1.00 0.93 0.00 0.00 0.00 179.25 179.60 1ab2 h GLU 81 N -0.26 0.00 0.52 0.00 5.08 -1.47 0.73 114.58 119.18 1ab2 h GLU 81 Ca 0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1ab2 h GLU 81 Cb 0.40 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.66 1ab2 h GLU 81 CO -0.41 0.00 -0.25 1.25 -1.00 0.00 0.00 179.01 178.60 1ab2 h LEU 82 N 0.00 -0.59 -0.80 1.33 6.46 0.19 -2.62 115.31 119.29 1ab2 h LEU 82 Ca 0.49 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 58.26 1ab2 h LEU 82 Cb 2.48 0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 42.53 1ab2 h LEU 82 CO -0.01 -0.19 0.47 1.62 -0.62 0.00 0.00 178.44 179.71 1ab2 h VAL 83 N -1.16 1.23 -0.38 1.05 3.04 0.46 -0.64 116.25 119.84 1ab2 h VAL 83 Ca -0.07 -0.52 0.04 0.00 -1.01 0.00 0.00 66.70 65.14 1ab2 h VAL 83 Cb 0.53 0.13 -0.07 0.00 -2.01 0.00 0.00 31.29 29.87 1ab2 h VAL 83 CO 0.12 0.24 -0.48 0.45 -1.01 0.00 0.00 177.57 176.89 1ab2 h HIS 84 N 1.10 -1.48 -0.63 3.17 3.86 0.20 1.75 115.15 123.11 1ab2 h HIS 84 Ca 0.28 0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.58 1ab2 h HIS 84 Cb -0.02 0.70 -0.03 0.00 1.06 0.00 0.00 27.41 29.12 1ab2 h HIS 84 CO -0.00 -0.42 0.42 1.25 0.86 0.00 0.00 177.93 180.04 1ab2 h HIS 85 N -0.32 0.79 0.00 2.45 6.17 -1.26 0.21 115.15 123.19 1ab2 h HIS 85 Ca 0.07 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.17 1ab2 h HIS 85 Cb 0.50 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 30.17 1ab2 h HIS 85 CO -0.73 0.49 0.00 0.72 0.71 0.00 0.00 177.93 179.12 1ab2 n HIS 86 N -4.65 0.00 0.00 5.26 -0.00 -0.00 -0.05 115.22 115.78 1ab2 n HIS 86 Ca 0.05 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.61 1ab2 n HIS 86 Cb 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.96 1ab2 n HIS 86 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1ab2 h SER 87 N 0.00 0.84 0.00 0.41 0.87 0.59 -3.26 113.55 113.00 1ab2 h SER 87 Ca 0.00 -0.57 -0.03 0.00 -1.23 0.00 0.00 61.79 59.96 1ab2 h SER 87 Cb 0.00 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 1ab2 h SER 87 CO 0.00 1.36 -1.21 0.41 -0.53 0.00 0.00 176.83 176.86 1ab2 n THR 88 N -3.90 0.12 -3.53 2.23 -1.04 -1.00 -4.79 114.28 102.37 1ab2 n THR 88 Ca -0.07 -0.12 -0.28 0.00 -2.04 0.00 0.00 64.05 61.54 1ab2 n THR 88 Cb 0.76 -0.24 -0.11 0.00 -1.82 0.00 0.00 70.33 68.93 1ab2 n THR 88 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ab2 s VAL 89 N -2.18 0.91 -0.56 12.58 1.01 0.93 -5.01 120.40 128.08 1ab2 s VAL 89 Ca -0.02 -2.84 -0.10 0.00 0.00 0.00 0.00 61.98 59.03 1ab2 s VAL 89 Cb 0.02 -1.63 -0.09 0.00 0.00 0.00 0.00 36.38 34.68 1ab2 s VAL 89 CO 0.15 -1.13 1.73 0.00 0.00 0.00 0.00 175.10 175.86 1ab2 n ALA 90 N 2.90 3.08 -0.60 5.51 0.00 -1.23 -3.58 120.51 126.59 1ab2 n ALA 90 Ca 0.24 -1.82 -0.04 0.00 0.00 0.00 0.00 53.44 51.81 1ab2 n ALA 90 Cb 0.43 -3.08 -0.06 0.00 0.00 0.00 0.00 19.45 16.74 1ab2 n ALA 90 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ab2 n ASP 91 N 5.57 4.58 0.00 0.00 2.03 -1.26 -4.06 116.55 123.41 1ab2 n ASP 91 Ca 0.34 -2.27 0.00 0.00 0.52 0.00 0.00 54.79 53.39 1ab2 n ASP 91 Cb 0.18 -1.07 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 1ab2 n ASP 91 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ab2 n GLY 92 N 1.95 -2.02 3.76 0.27 0.00 -1.26 -3.52 105.19 104.37 1ab2 n GLY 92 Ca 0.14 0.61 -0.30 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.34 2.58 0.00 0.99 2.01 -1.26 -4.84 118.68 115.82 1ab2 s LEU 93 Ca 0.00 1.50 -0.07 0.00 0.01 0.00 0.00 54.13 55.57 1ab2 s LEU 93 Cb 0.00 -4.07 -0.04 0.00 0.01 0.00 0.00 46.19 42.09 1ab2 s LEU 93 CO 0.00 -2.22 0.78 -0.29 1.01 0.00 0.00 176.35 175.63 1ab2 h ILE 94 N -1.26 0.00 -4.06 -0.59 -0.00 -1.98 -3.45 117.51 106.16 1ab2 h ILE 94 Ca -0.47 -0.08 -0.48 0.00 -0.00 0.00 0.00 64.86 63.82 1ab2 h ILE 94 Cb 1.26 0.00 0.02 0.00 -0.00 0.00 0.00 36.82 38.10 1ab2 h ILE 94 CO 0.56 0.00 0.31 0.28 -0.00 0.00 0.00 178.15 179.29 1ab2 s THR 95 N -2.93 4.63 -0.91 2.19 -1.32 -1.26 -4.95 115.64 111.09 1ab2 s THR 95 Ca -0.04 0.99 -0.07 0.00 -1.21 0.00 0.00 61.69 61.36 1ab2 s THR 95 Cb 0.00 -3.75 0.23 0.00 -1.51 0.00 0.00 72.50 67.48 1ab2 s THR 95 CO 0.11 -0.70 0.84 0.42 -2.21 0.00 0.00 174.62 173.07 1ab2 s THR 96 N -2.63 5.13 0.22 5.08 -4.23 -1.26 -4.91 115.64 113.04 1ab2 s THR 96 Ca 0.56 -3.24 0.00 0.00 -1.18 0.00 0.00 61.69 57.83 1ab2 s THR 96 Cb -0.10 -4.16 0.00 0.00 1.34 0.00 0.00 72.50 69.58 1ab2 s THR 96 CO 0.34 -1.08 0.00 0.18 -0.54 0.00 0.00 174.62 173.53 1ab2 n LEU 97 N 3.03 -0.43 0.00 4.79 4.32 -1.26 -4.81 117.00 122.64 1ab2 n LEU 97 Ca 0.18 0.97 0.00 0.00 -0.02 0.00 0.00 56.01 57.14 1ab2 n LEU 97 Cb 0.40 -2.90 0.00 0.00 -1.62 0.00 0.00 43.42 39.30 1ab2 n LEU 97 CO 0.38 -2.02 0.00 1.57 -1.22 0.00 0.00 177.39 176.11 1ab2 n HIS 98 N -2.85 0.00 -3.77 -1.77 -0.00 -1.26 -4.90 115.22 100.66 1ab2 n HIS 98 Ca -0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.37 1ab2 n HIS 98 Cb 0.60 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.48 1ab2 n HIS 98 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1ab2 s TYR 99 N 0.00 3.35 -1.71 1.57 1.51 -1.26 -4.90 117.35 115.91 1ab2 s TYR 99 Ca 0.00 -2.85 0.00 0.00 -1.01 0.00 0.00 57.07 53.21 1ab2 s TYR 99 Cb 0.00 -3.10 0.00 0.00 -0.11 0.00 0.00 41.96 38.75 1ab2 s TYR 99 CO 0.00 -0.81 0.65 -0.35 -1.11 0.00 0.00 175.55 173.93 1ab2 n PRO 100 N 3.32 0.76 -2.66 -1.71 -0.04 -1.26 -4.79 135.00 128.62 1ab2 n PRO 100 Ca 0.08 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.19 1ab2 n PRO 100 Cb 0.36 -1.11 -0.05 0.00 -0.04 0.00 0.00 33.50 32.66 1ab2 n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ab2 s ALA 101 N -1.71 3.02 0.58 0.55 0.00 -1.13 -3.96 121.76 119.11 1ab2 s ALA 101 Ca 0.00 0.55 -0.16 0.00 0.00 0.00 0.00 51.96 52.35 1ab2 s ALA 101 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 1ab2 s ALA 101 CO 0.00 -0.09 1.05 -1.25 0.00 0.00 0.00 175.76 175.47 1ab2 s PRO 102 N -2.90 3.42 0.74 0.00 0.04 -0.35 -4.25 135.00 131.71 1ab2 s PRO 102 Ca 0.61 1.18 -0.12 0.00 0.04 0.00 0.00 61.00 62.71 1ab2 s PRO 102 Cb -0.16 -2.05 0.18 0.00 0.04 0.00 0.00 34.50 32.52 1ab2 s PRO 102 CO 0.20 -0.73 0.66 1.63 0.04 0.00 0.00 177.00 178.80 1ab2 n LYS 103 N -1.93 -2.32 0.20 4.56 5.02 -1.26 -4.92 118.16 117.51 1ab2 n LYS 103 Ca 0.08 -1.05 0.07 0.00 -2.02 0.00 0.00 58.31 55.39 1ab2 n LYS 103 Cb 0.53 -0.99 0.38 0.00 -0.02 0.00 0.00 35.03 34.92 1ab2 n LYS 103 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1ab2 h ARG 104 N 0.00 0.00 -0.67 1.97 2.43 -1.93 -3.26 114.38 112.92 1ab2 h ARG 104 Ca -0.25 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.11 1ab2 h ARG 104 Cb 0.76 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.19 1ab2 h ARG 104 CO 0.16 0.32 0.03 0.41 -1.51 0.00 0.00 179.97 179.39 1ab2 n GLY 105 N 0.19 -0.88 0.04 2.80 0.00 -1.26 -0.77 105.19 105.31 1ab2 n GLY 105 Ca -0.00 0.65 -0.01 0.00 0.00 0.00 0.00 46.02 46.65 1ab2 n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ab2 h ILE 106 N 0.00 0.00 0.00 -0.61 2.10 -1.93 -3.49 117.51 113.58 1ab2 h ILE 106 Ca 0.41 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 66.23 1ab2 h ILE 106 Cb 0.87 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.60 1ab2 h ILE 106 CO -0.62 0.00 0.00 1.41 -1.08 0.00 0.00 178.15 177.86 1ab2 n HIS 107 N -2.55 0.00 -3.66 2.19 8.25 0.05 -5.17 115.22 114.33 1ab2 n HIS 107 Ca -0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 1ab2 n HIS 107 Cb 0.03 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.09 1ab2 n HIS 107 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1ab2 s ARG 108 N 0.00 1.03 0.00 -0.41 1.81 -1.26 -4.93 118.95 115.19 1ab2 s ARG 108 Ca 0.00 -0.72 0.19 0.00 -1.72 0.00 0.00 55.73 53.49 1ab2 s ARG 108 Cb 0.00 0.45 1.16 0.00 -0.45 0.00 0.00 34.95 36.11 1ab2 s ARG 108 CO 0.00 -0.39 1.55 -0.25 -0.68 0.00 0.00 175.30 175.53