#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 1.00 0.00 1.61 7.64 -1.26 -5.14 113.62 117.47 1ab2 n SER 2 Ca 0.00 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1ab2 n SER 2 Cb 0.00 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 1ab2 n SER 2 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ab2 n GLY 3 N 3.40 3.77 1.99 0.23 0.00 -1.26 -5.10 105.19 108.22 1ab2 n GLY 3 Ca -0.01 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 0.00 -8.36 0.00 1.61 3.02 -1.26 -4.34 115.26 105.93 1ab2 n ASN 4 Ca 0.00 1.36 0.00 0.00 -0.03 0.00 0.00 54.58 55.91 1ab2 n ASN 4 Cb 0.00 -4.66 0.00 0.00 -0.61 0.00 0.00 39.78 34.51 1ab2 n ASN 4 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1ab2 n SER 5 N 1.67 0.00 -0.83 6.41 2.88 -1.26 -4.86 113.62 117.63 1ab2 n SER 5 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ab2 n SER 5 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ab2 n SER 5 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1ab2 n LEU 6 N 0.00 -2.78 -3.54 2.46 -0.00 -1.26 -4.56 117.00 107.32 1ab2 n LEU 6 Ca 0.00 1.53 -0.39 0.00 -0.00 0.00 0.00 56.01 57.16 1ab2 n LEU 6 Cb 0.00 -0.97 -0.03 0.00 -0.00 0.00 0.00 43.42 42.42 1ab2 n LEU 6 CO 0.00 -0.02 2.55 -0.62 -0.00 0.00 0.00 177.39 179.30 1ab2 n GLU 7 N -0.52 2.40 0.00 1.96 1.02 -1.26 -4.81 120.64 119.44 1ab2 n GLU 7 Ca 0.00 -2.09 0.00 0.00 -0.02 0.00 0.00 57.16 55.05 1ab2 n GLU 7 Cb 0.00 -2.95 0.00 0.00 -0.02 0.00 0.00 31.44 28.47 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 5.69 0.00 -1.68 3.49 3.00 -1.26 -4.89 118.16 122.51 1ab2 n LYS 8 Ca 0.54 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.78 1ab2 n LYS 8 Cb 0.33 -0.03 0.02 0.00 0.00 0.00 0.00 35.03 35.35 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 -2.77 1.10 5.64 8.25 -1.26 -4.96 115.22 121.22 1ab2 n HIS 9 Ca 0.00 -0.74 0.01 0.00 -0.26 0.00 0.00 57.72 56.74 1ab2 n HIS 9 Cb 0.00 -0.19 0.05 0.00 1.12 0.00 0.00 29.99 30.97 1ab2 n HIS 9 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ab2 n SER 10 N -2.77 1.22 0.00 0.41 2.88 -1.26 -2.40 113.62 111.69 1ab2 n SER 10 Ca 0.06 -2.08 0.00 0.00 -1.33 0.00 0.00 58.87 55.52 1ab2 n SER 10 Cb 0.21 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 1ab2 n SER 10 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1ab2 n TRP 11 N -0.03 0.00 -3.77 0.66 4.27 -1.26 0.24 117.44 117.55 1ab2 n TRP 11 Ca 0.04 -0.20 -0.37 0.00 -3.89 0.00 0.00 57.50 53.08 1ab2 n TRP 11 Cb 0.27 -0.02 -0.12 0.00 -1.36 0.00 0.00 31.31 30.08 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 -0.39 3.32 -0.12 -2.67 6.14 -1.01 -4.65 117.35 117.97 1ab2 s TYR 12 Ca 0.00 -1.70 -0.03 0.00 0.64 0.00 0.00 57.07 55.97 1ab2 s TYR 12 Cb 0.00 -2.49 -0.06 0.00 0.42 0.00 0.00 41.96 39.83 1ab2 s TYR 12 CO 0.00 -0.80 -0.14 0.72 0.64 0.00 0.00 175.55 175.97 1ab2 n HIS 13 N 4.75 0.00 -1.24 4.97 8.25 -1.26 -4.47 115.22 126.21 1ab2 n HIS 13 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1ab2 n HIS 13 Cb 0.44 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1ab2 n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ab2 n GLY 14 N 2.52 -1.74 3.67 -1.41 0.00 -1.26 -4.89 105.19 102.07 1ab2 n GLY 14 Ca -0.23 -1.11 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.63 4.28 -0.24 1.61 0.04 -1.26 -4.84 135.00 132.96 1ab2 s PRO 15 Ca 0.00 1.69 0.01 0.00 0.04 0.00 0.00 61.00 62.74 1ab2 s PRO 15 Cb 0.00 -3.68 0.06 0.00 0.04 0.00 0.00 34.50 30.92 1ab2 s PRO 15 CO 0.00 -0.60 -0.07 0.08 0.04 0.00 0.00 177.00 176.45 1ab2 s VAL 16 N 2.96 1.72 0.34 -0.36 1.01 -1.26 -4.93 120.40 119.87 1ab2 s VAL 16 Ca 0.56 -1.35 -0.28 0.00 0.00 0.00 0.00 61.98 60.90 1ab2 s VAL 16 Cb -0.24 -1.94 -0.12 0.00 0.00 0.00 0.00 36.38 34.08 1ab2 s VAL 16 CO 0.18 -0.09 1.37 -1.20 0.00 0.00 0.00 175.10 175.36 1ab2 n SER 17 N 4.60 3.09 -0.40 3.32 7.64 -1.26 -4.50 113.62 126.10 1ab2 n SER 17 Ca -0.12 1.20 0.35 0.00 1.01 0.00 0.00 58.87 61.31 1ab2 n SER 17 Cb 0.43 -1.52 0.67 0.00 -1.01 0.00 0.00 64.21 62.79 1ab2 n SER 17 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1ab2 h ARG 18 N 2.97 0.12 -0.26 1.43 2.43 -1.99 0.21 114.38 119.30 1ab2 h ARG 18 Ca -0.47 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.75 1ab2 h ARG 18 Cb 1.27 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.71 1ab2 h ARG 18 CO 0.65 0.08 -0.40 -0.97 -1.51 0.00 0.00 179.97 177.82 1ab2 h ASN 19 N 0.13 -1.30 -0.76 -3.80 -0.73 -2.00 0.12 115.58 107.24 1ab2 h ASN 19 Ca 0.69 0.19 -0.01 0.00 1.87 0.00 0.00 56.30 59.04 1ab2 h ASN 19 Cb 2.34 0.55 -0.04 0.00 0.27 0.00 0.00 38.32 41.45 1ab2 h ASN 19 CO -0.19 -0.39 0.44 0.00 -0.37 0.00 0.00 177.43 176.93 1ab2 h ALA 20 N 0.33 0.97 -0.23 1.57 0.00 -0.93 0.13 119.26 121.09 1ab2 h ALA 20 Ca 0.11 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1ab2 h ALA 20 Cb 0.59 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1ab2 h ALA 20 CO -0.47 0.46 -0.43 0.00 0.00 0.00 0.00 179.25 178.80 1ab2 h ALA 21 N 1.23 -0.73 -0.05 0.00 0.00 -0.46 2.06 119.26 121.32 1ab2 h ALA 21 Ca 0.27 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1ab2 h ALA 21 Cb -0.01 0.99 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1ab2 h ALA 21 CO -0.05 -0.91 -0.16 1.05 0.00 0.00 0.00 179.25 179.18 1ab2 h GLU 22 N -0.37 0.07 0.16 0.00 4.11 -0.68 0.17 114.58 118.05 1ab2 h GLU 22 Ca 0.04 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.45 1ab2 h GLU 22 Cb 0.49 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1ab2 h GLU 22 CO -0.41 0.24 -0.08 -0.92 0.07 0.00 0.00 179.01 177.90 1ab2 h TYR 23 N 0.07 -0.20 0.00 2.06 3.20 0.21 -3.06 116.97 119.24 1ab2 h TYR 23 Ca 0.01 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1ab2 h TYR 23 Cb 0.33 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1ab2 h TYR 23 CO 0.00 -0.13 0.00 -0.11 -1.64 0.00 0.00 178.16 176.28 1ab2 n LEU 24 N -2.90 0.00 -0.11 2.82 7.94 0.67 -2.15 117.00 123.27 1ab2 n LEU 24 Ca -0.03 0.49 0.27 0.00 -1.11 0.00 0.00 56.01 55.63 1ab2 n LEU 24 Cb 0.09 -0.49 0.72 0.00 0.53 0.00 0.00 43.42 44.26 1ab2 n LEU 24 CO 0.07 -0.41 1.24 0.25 -1.11 0.00 0.00 177.39 177.43 1ab2 h LEU 25 N 0.00 0.00 -4.26 -1.96 7.12 -0.54 -0.87 115.31 114.80 1ab2 h LEU 25 Ca 0.00 0.00 -0.33 0.00 0.13 0.00 0.00 57.88 57.68 1ab2 h LEU 25 Cb 0.08 0.00 -0.12 0.00 -0.53 0.00 0.00 40.66 40.10 1ab2 h LEU 25 CO 0.00 0.00 0.02 -0.24 -0.13 0.00 0.00 178.44 178.09 1ab2 n SER 26 N -4.02 5.84 0.00 1.25 2.88 -0.91 -3.62 113.62 115.03 1ab2 n SER 26 Ca 0.16 -2.80 0.00 0.00 -1.33 0.00 0.00 58.87 54.90 1ab2 n SER 26 Cb 0.92 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 1ab2 n SER 26 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ab2 n SER 27 N 1.80 0.00 -1.70 -3.46 2.88 -0.33 -5.16 113.62 107.65 1ab2 n SER 27 Ca 0.46 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1ab2 n SER 27 Cb 0.75 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 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 0.00 3.58 0.00 0.46 0.00 -1.24 -5.05 105.19 102.94 1ab2 n GLY 28 Ca 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1ab2 n GLY 28 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ab2 n ILE 29 N -0.35 0.00 0.83 -0.61 -5.35 -1.26 -4.93 119.36 107.69 1ab2 n ILE 29 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1ab2 n ILE 29 Cb 0.00 -1.12 0.00 0.00 -1.74 0.00 0.00 39.64 36.78 1ab2 n ILE 29 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1ab2 n ASN 30 N -2.09 3.22 0.00 7.28 3.02 -1.26 -4.68 115.26 120.75 1ab2 n ASN 30 Ca 0.00 -2.03 0.00 0.00 -0.03 0.00 0.00 54.58 52.52 1ab2 n ASN 30 Cb 0.00 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 1ab2 n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ab2 n GLY 31 N 0.61 3.34 3.45 7.41 0.00 -1.26 -4.90 105.19 113.84 1ab2 n GLY 31 Ca 0.00 -0.78 -0.15 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.55 -0.14 1.61 1.04 -1.00 -4.53 113.70 110.13 1ab2 s SER 32 Ca 0.00 0.83 0.01 0.00 0.48 0.00 0.00 55.95 57.26 1ab2 s SER 32 Cb 0.00 0.82 -0.00 0.00 0.10 0.00 0.00 66.02 66.93 1ab2 s SER 32 CO 0.00 -0.38 -0.16 -0.36 0.98 0.00 0.00 173.24 173.32 1ab2 s PHE 33 N -0.47 2.76 -0.19 5.02 0.40 -1.26 0.14 117.98 124.37 1ab2 s PHE 33 Ca -0.06 -0.97 0.01 0.00 -0.60 0.00 0.00 56.93 55.31 1ab2 s PHE 33 Cb -0.03 -1.86 0.03 0.00 0.51 0.00 0.00 43.02 41.67 1ab2 s PHE 33 CO 0.04 -0.42 -0.16 -0.48 0.70 0.00 0.00 175.22 174.90 1ab2 s LEU 34 N 0.66 2.31 0.41 -0.37 2.34 0.10 -4.80 118.68 119.35 1ab2 s LEU 34 Ca -0.08 -0.79 -0.25 0.00 0.06 0.00 0.00 54.13 53.07 1ab2 s LEU 34 Cb -0.16 -1.41 -0.08 0.00 -0.56 0.00 0.00 46.19 43.98 1ab2 s LEU 34 CO 0.02 -0.06 1.17 -0.69 -1.06 0.00 0.00 176.35 175.73 1ab2 s VAL 35 N 1.30 3.12 0.42 1.48 1.01 -1.26 -2.56 120.40 123.92 1ab2 s VAL 35 Ca 0.02 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.92 1ab2 s VAL 35 Cb -0.15 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1ab2 s VAL 35 CO -0.11 0.06 0.01 0.54 0.00 0.00 0.00 175.10 175.61 1ab2 n ARG 36 N -0.05 0.97 -4.56 2.72 1.74 -0.07 -4.14 116.66 113.28 1ab2 n ARG 36 Ca 0.05 -3.07 -0.23 0.00 -0.77 0.00 0.00 57.85 53.82 1ab2 n ARG 36 Cb 0.47 0.80 -0.16 0.00 -1.02 0.00 0.00 32.46 32.55 1ab2 n ARG 36 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1ab2 s GLU 37 N -3.54 1.46 1.38 5.56 2.12 -1.26 -1.67 118.70 122.76 1ab2 s GLU 37 Ca 0.01 -0.40 -0.23 0.00 0.36 0.00 0.00 54.97 54.71 1ab2 s GLU 37 Cb -0.00 -1.26 0.35 0.00 0.26 0.00 0.00 34.13 33.48 1ab2 s GLU 37 CO 0.01 0.09 0.99 -1.12 -0.54 0.00 0.00 175.26 174.68 1ab2 s SER 38 N 0.43 -0.67 -0.93 -1.70 0.01 -1.02 -4.64 113.70 105.18 1ab2 s SER 38 Ca -0.09 0.68 -0.18 0.00 1.31 0.00 0.00 55.95 57.67 1ab2 s SER 38 Cb -0.13 -0.92 -0.26 0.00 0.21 0.00 0.00 66.02 64.92 1ab2 s SER 38 CO 0.02 -5.11 2.34 -0.62 0.41 0.00 0.00 173.24 170.28 1ab2 n GLU 39 N -5.43 0.15 -2.94 12.44 1.02 -1.26 -3.02 120.64 121.59 1ab2 n GLU 39 Ca 0.14 -0.13 -0.03 0.00 -0.02 0.00 0.00 57.16 57.13 1ab2 n GLU 39 Cb 0.60 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 1ab2 n GLU 39 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ab2 n SER 40 N 9.39 -0.37 -3.88 1.62 3.41 -1.26 -4.85 113.62 117.67 1ab2 n SER 40 Ca 0.62 -0.09 -0.30 0.00 -0.26 0.00 0.00 58.87 58.85 1ab2 n SER 40 Cb 0.19 -0.13 -0.16 0.00 -0.26 0.00 0.00 64.21 63.85 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 -2.89 3.78 -0.41 4.04 1.04 -1.17 -5.01 113.70 113.08 1ab2 s SER 41 Ca 0.01 -1.26 -0.06 0.00 0.48 0.00 0.00 55.95 55.13 1ab2 s SER 41 Cb -0.01 -1.06 -0.16 0.00 0.10 0.00 0.00 66.02 64.90 1ab2 s SER 41 CO 0.08 -0.29 2.72 -0.81 0.98 0.00 0.00 173.24 175.92 1ab2 n PRO 42 N 4.73 1.93 0.00 4.02 -0.04 -1.26 -2.82 135.00 141.56 1ab2 n PRO 42 Ca -0.09 -1.09 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 1ab2 n PRO 42 Cb 0.44 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 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 2.98 -0.02 3.53 0.55 0.00 -1.26 -5.11 105.19 105.86 1ab2 n GLY 43 Ca 0.41 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.32 3.78 0.28 1.61 -2.07 -1.13 -5.10 119.66 115.71 1ab2 s GLN 44 Ca 0.00 -0.44 0.06 0.00 -1.82 0.00 0.00 55.36 53.16 1ab2 s GLN 44 Cb 0.00 -3.18 -0.06 0.00 -1.09 0.00 0.00 33.01 28.68 1ab2 s GLN 44 CO 0.00 0.10 -0.04 1.03 -1.32 0.00 0.00 175.29 175.06 1ab2 s ARG 45 N 0.81 1.52 0.45 9.60 1.81 -1.26 -2.44 118.95 129.44 1ab2 s ARG 45 Ca 0.02 -1.78 0.06 0.00 -1.72 0.00 0.00 55.73 52.31 1ab2 s ARG 45 Cb -0.14 -1.03 -0.04 0.00 -0.45 0.00 0.00 34.95 33.29 1ab2 s ARG 45 CO 0.02 -0.01 0.14 -1.12 -0.68 0.00 0.00 175.30 173.65 1ab2 s SER 46 N -3.42 4.28 -0.03 0.23 0.01 -0.67 -1.35 113.70 112.74 1ab2 s SER 46 Ca 0.30 -1.28 0.01 0.00 1.31 0.00 0.00 55.95 56.29 1ab2 s SER 46 Cb 0.05 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.16 1ab2 s SER 46 CO 0.12 -0.66 -0.04 -0.51 0.41 0.00 0.00 173.24 172.56 1ab2 s ILE 47 N -2.70 0.42 -0.09 1.44 1.10 -0.86 -0.89 121.20 119.62 1ab2 s ILE 47 Ca 0.32 -0.09 -0.00 0.00 -0.51 0.00 0.00 60.65 60.36 1ab2 s ILE 47 Cb 0.04 -0.44 0.02 0.00 0.15 0.00 0.00 42.46 42.23 1ab2 s ILE 47 CO 0.17 0.18 -0.06 -0.94 -2.11 0.00 0.00 174.94 172.19 1ab2 s SER 48 N 0.72 1.84 0.15 4.50 1.04 -1.06 -0.62 113.70 120.28 1ab2 s SER 48 Ca -0.09 -0.23 0.05 0.00 0.48 0.00 0.00 55.95 56.17 1ab2 s SER 48 Cb -0.12 -0.69 -0.04 0.00 0.10 0.00 0.00 66.02 65.27 1ab2 s SER 48 CO -0.00 -0.11 0.12 -1.48 0.98 0.00 0.00 173.24 172.74 1ab2 s LEU 49 N 1.57 3.77 -0.09 2.42 -0.00 -0.97 0.01 118.68 125.40 1ab2 s LEU 49 Ca 0.01 -0.12 0.04 0.00 -0.00 0.00 0.00 54.13 54.05 1ab2 s LEU 49 Cb -0.13 -2.40 -0.01 0.00 -0.00 0.00 0.00 46.19 43.65 1ab2 s LEU 49 CO -0.05 0.09 -0.21 -0.60 -0.00 0.00 0.00 176.35 175.58 1ab2 s ARG 50 N -2.96 2.89 0.00 1.48 3.52 0.37 -2.34 118.95 121.91 1ab2 s ARG 50 Ca 0.30 -0.82 0.00 0.00 -0.13 0.00 0.00 55.73 55.08 1ab2 s ARG 50 Cb -0.10 -2.34 0.00 0.00 -1.56 0.00 0.00 34.95 30.95 1ab2 s ARG 50 CO 0.23 0.31 0.00 0.98 -0.81 0.00 0.00 175.30 176.01 1ab2 n TYR 51 N 3.18 0.00 -1.55 5.12 4.19 0.20 -2.37 117.16 125.92 1ab2 n TYR 51 Ca -0.18 0.00 -0.38 0.00 3.31 0.00 0.00 57.90 60.65 1ab2 n TYR 51 Cb 0.52 0.00 -0.06 0.00 0.49 0.00 0.00 39.34 40.30 1ab2 n TYR 51 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86 1ab2 n GLU 52 N 0.00 1.60 -1.80 2.98 0.00 -1.26 -3.42 120.64 118.74 1ab2 n GLU 52 Ca 0.00 -2.14 -0.06 0.00 0.00 0.00 0.00 57.16 54.96 1ab2 n GLU 52 Cb 0.00 -3.25 -0.01 0.00 0.00 0.00 0.00 31.44 28.18 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 5.03 0.37 3.04 8.31 0.00 -1.26 -5.03 105.19 115.66 1ab2 n GLY 53 Ca 0.48 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 1ab2 n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ab2 s ARG 54 N -3.71 0.57 0.04 1.61 6.06 -1.22 -5.11 118.95 117.19 1ab2 s ARG 54 Ca 0.00 -0.58 0.02 0.00 -2.50 0.00 0.00 55.73 52.68 1ab2 s ARG 54 Cb 0.00 -0.44 -0.02 0.00 0.06 0.00 0.00 34.95 34.54 1ab2 s ARG 54 CO 0.00 0.10 -0.08 0.54 -2.50 0.00 0.00 175.30 173.36 1ab2 s VAL 55 N -0.89 0.58 -0.04 7.11 0.11 -1.26 0.59 120.40 126.60 1ab2 s VAL 55 Ca -0.04 -0.97 0.01 0.00 -2.93 0.00 0.00 61.98 58.04 1ab2 s VAL 55 Cb -0.07 -0.61 0.02 0.00 -1.53 0.00 0.00 36.38 34.19 1ab2 s VAL 55 CO 0.00 -0.29 -0.02 -0.31 -3.33 0.00 0.00 175.10 171.15 1ab2 s TYR 56 N -1.18 0.53 -0.34 1.54 1.51 -0.99 -4.99 117.35 113.44 1ab2 s TYR 56 Ca -0.07 -0.10 -0.05 0.00 -1.01 0.00 0.00 57.07 55.83 1ab2 s TYR 56 Cb -0.09 -0.55 0.05 0.00 -0.11 0.00 0.00 41.96 41.26 1ab2 s TYR 56 CO 0.00 -0.17 0.10 -1.01 -1.11 0.00 0.00 175.55 173.37 1ab2 s HIS 57 N 1.00 3.28 -0.28 2.71 3.76 -1.26 -2.28 115.29 122.22 1ab2 s HIS 57 Ca -0.10 -1.57 0.01 0.00 -0.15 0.00 0.00 55.06 53.25 1ab2 s HIS 57 Cb -0.14 -2.33 0.08 0.00 1.11 0.00 0.00 32.58 31.30 1ab2 s HIS 57 CO -0.01 -0.76 0.00 0.71 -0.85 0.00 0.00 174.74 173.83 1ab2 s TYR 58 N 1.36 2.65 0.36 1.40 1.51 0.21 -4.98 117.35 119.86 1ab2 s TYR 58 Ca -0.02 -2.10 -0.28 0.00 -1.01 0.00 0.00 57.07 53.66 1ab2 s TYR 58 Cb -0.20 -1.98 -0.11 0.00 -0.11 0.00 0.00 41.96 39.57 1ab2 s TYR 58 CO 0.02 -0.85 1.50 -0.98 -1.11 0.00 0.00 175.55 174.13 1ab2 s ARG 59 N 1.30 4.11 0.33 -0.62 1.70 -1.26 -2.02 118.95 122.49 1ab2 s ARG 59 Ca 0.02 2.57 -0.28 0.00 -0.47 0.00 0.00 55.73 57.57 1ab2 s ARG 59 Cb -0.19 -2.98 -0.10 0.00 -0.57 0.00 0.00 34.95 31.12 1ab2 s ARG 59 CO -0.11 -0.55 1.23 0.42 -1.08 0.00 0.00 175.30 175.22 1ab2 s ILE 60 N -0.95 2.98 -0.02 4.99 1.01 -0.46 -4.87 121.20 123.89 1ab2 s ILE 60 Ca 0.54 0.96 -0.02 0.00 0.00 0.00 0.00 60.65 62.13 1ab2 s ILE 60 Cb -0.47 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1ab2 s ILE 60 CO 0.61 0.21 0.13 0.20 0.00 0.00 0.00 174.94 176.08 1ab2 s ASN 61 N -0.71 6.03 -0.12 3.58 0.01 -1.23 -4.78 114.94 117.73 1ab2 s ASN 61 Ca 0.49 0.26 -0.01 0.00 -0.71 0.00 0.00 52.86 52.89 1ab2 s ASN 61 Cb -0.36 -1.83 -0.02 0.00 0.41 0.00 0.00 41.25 39.45 1ab2 s ASN 61 CO 0.47 0.28 -0.08 -0.89 -1.51 0.00 0.00 177.10 175.37 1ab2 s THR 62 N -1.23 3.55 1.03 1.60 2.01 -1.26 -1.39 115.64 119.95 1ab2 s THR 62 Ca 0.24 -0.50 -0.13 0.00 0.31 0.00 0.00 61.69 61.61 1ab2 s THR 62 Cb -0.12 -2.50 0.21 0.00 0.01 0.00 0.00 72.50 70.09 1ab2 s THR 62 CO 0.15 0.54 1.09 0.00 -0.69 0.00 0.00 174.62 175.71 1ab2 s ALA 63 N -0.07 0.76 0.51 7.40 0.00 0.11 -4.90 121.76 125.58 1ab2 s ALA 63 Ca -0.00 -0.38 0.18 0.00 0.00 0.00 0.00 51.96 51.76 1ab2 s ALA 63 Cb -0.13 -3.11 1.30 0.00 0.00 0.00 0.00 23.12 21.17 1ab2 s ALA 63 CO 0.03 -2.99 2.13 0.66 0.00 0.00 0.00 175.76 175.58 1ab2 h SER 64 N -2.01 0.00 0.27 0.00 4.64 -2.00 -2.64 113.55 111.81 1ab2 h SER 64 Ca -0.56 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.75 1ab2 h SER 64 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1ab2 h SER 64 CO 0.57 0.05 -0.13 0.44 -0.87 0.00 0.00 176.83 176.89 1ab2 h ASP 65 N 0.00 -0.30 0.00 4.97 3.32 -2.05 -3.48 116.42 118.88 1ab2 h ASP 65 Ca -0.00 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1ab2 h ASP 65 Cb 0.09 0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1ab2 h ASP 65 CO 0.01 0.17 0.00 0.61 -1.72 0.00 0.00 179.24 178.31 1ab2 n GLY 66 N 0.28 0.37 3.71 2.75 0.00 -1.00 -5.14 105.19 106.17 1ab2 n GLY 66 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1ab2 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ab2 s LYS 67 N 0.00 1.94 -0.38 1.61 1.02 -1.26 -4.58 119.74 118.10 1ab2 s LYS 67 Ca 0.00 1.75 -0.11 0.00 0.02 0.00 0.00 55.97 57.63 1ab2 s LYS 67 Cb 0.00 -1.81 0.03 0.00 -0.52 0.00 0.00 37.83 35.53 1ab2 s LYS 67 CO 0.00 -1.98 0.21 -0.51 -0.92 0.00 0.00 175.35 172.15 1ab2 s LEU 68 N -5.38 4.78 0.10 3.17 1.02 0.53 0.10 118.68 123.00 1ab2 s LEU 68 Ca 0.74 -1.06 0.10 0.00 0.02 0.00 0.00 54.13 53.93 1ab2 s LEU 68 Cb -0.29 -2.02 -0.04 0.00 0.02 0.00 0.00 46.19 43.87 1ab2 s LEU 68 CO 0.48 -0.41 -0.27 -0.72 0.02 0.00 0.00 176.35 175.45 1ab2 s TYR 69 N 1.54 2.30 -0.21 0.29 -0.85 -0.48 0.14 117.35 120.07 1ab2 s TYR 69 Ca 0.02 -0.39 0.08 0.00 -0.52 0.00 0.00 57.07 56.25 1ab2 s TYR 69 Cb -0.20 -1.29 -0.21 0.00 0.38 0.00 0.00 41.96 40.65 1ab2 s TYR 69 CO 0.06 0.27 -0.02 0.28 -1.52 0.00 0.00 175.55 174.62 1ab2 n VAL 70 N 1.18 1.49 -0.03 -3.49 0.31 -1.25 -3.54 118.33 113.00 1ab2 n VAL 70 Ca -0.18 -0.69 -0.03 0.00 -0.01 0.00 0.00 64.34 63.43 1ab2 n VAL 70 Cb 0.53 -1.08 -0.01 0.00 -0.91 0.00 0.00 33.84 32.36 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 -3.08 0.66 0.00 4.52 2.88 -1.26 -4.83 113.62 112.51 1ab2 n SER 71 Ca -0.38 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 1ab2 n SER 71 Cb 1.06 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1ab2 n SER 71 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ab2 n SER 72 N -3.17 0.00 0.00 -3.46 7.64 -1.26 -4.91 113.62 108.46 1ab2 n SER 72 Ca -0.05 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.99 1ab2 n SER 72 Cb 0.17 0.00 0.88 0.00 -1.01 0.00 0.00 64.21 64.25 1ab2 n SER 72 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1ab2 n GLU 73 N 0.00 0.81 -3.24 1.43 0.28 -1.26 -3.94 120.64 114.72 1ab2 n GLU 73 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.72 1ab2 n GLU 73 Cb 0.00 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.31 1ab2 n GLU 73 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1ab2 n SER 74 N -1.09 4.23 -4.85 -1.84 7.64 -1.26 -5.06 113.62 111.39 1ab2 n SER 74 Ca 0.21 -3.52 -0.34 0.00 1.01 0.00 0.00 58.87 56.22 1ab2 n SER 74 Cb 0.15 -0.69 -0.06 0.00 -1.01 0.00 0.00 64.21 62.60 1ab2 n SER 74 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ab2 s ARG 75 N -2.83 3.96 0.05 1.43 0.52 -1.25 -3.79 118.95 117.03 1ab2 s ARG 75 Ca 0.42 0.48 0.01 0.00 -0.52 0.00 0.00 55.73 56.12 1ab2 s ARG 75 Cb 0.18 -2.80 -0.03 0.00 0.52 0.00 0.00 34.95 32.82 1ab2 s ARG 75 CO -0.04 0.39 -0.06 -0.06 0.02 0.00 0.00 175.30 175.56 1ab2 s PHE 76 N -1.62 0.61 -0.11 -0.53 0.08 0.37 -4.88 117.98 111.91 1ab2 s PHE 76 Ca 0.42 -0.67 0.00 0.00 0.12 0.00 0.00 56.93 56.80 1ab2 s PHE 76 Cb -0.14 -0.38 -0.25 0.00 -0.57 0.00 0.00 43.02 41.69 1ab2 s PHE 76 CO 0.20 -0.16 0.42 0.09 -0.10 0.00 0.00 175.22 175.66 1ab2 n ASN 77 N 0.99 1.69 -4.29 1.36 3.02 -1.26 0.20 115.26 116.96 1ab2 n ASN 77 Ca -0.20 0.25 -0.32 0.00 -0.03 0.00 0.00 54.58 54.28 1ab2 n ASN 77 Cb 0.57 -0.55 -0.16 0.00 -0.61 0.00 0.00 39.78 39.03 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 -2.57 2.37 0.31 3.41 -4.23 -1.26 -4.78 115.64 108.89 1ab2 s THR 78 Ca -0.17 -0.93 0.07 0.00 -1.18 0.00 0.00 61.69 59.47 1ab2 s THR 78 Cb 0.07 -1.92 0.32 0.00 1.34 0.00 0.00 72.50 72.32 1ab2 s THR 78 CO 0.78 0.56 1.65 0.17 -0.54 0.00 0.00 174.62 177.23 1ab2 h LEU 79 N 6.36 0.15 -0.35 4.79 -0.00 -1.95 0.25 115.31 124.56 1ab2 h LEU 79 Ca -0.27 0.20 0.04 0.00 -0.00 0.00 0.00 57.88 57.84 1ab2 h LEU 79 Cb 1.20 0.24 -0.05 0.00 -0.00 0.00 0.00 40.66 42.05 1ab2 h LEU 79 CO 0.49 -0.17 -0.31 0.00 -0.00 0.00 0.00 178.44 178.45 1ab2 h ALA 80 N 1.82 -0.46 -0.72 0.17 0.00 -1.99 0.98 119.26 119.08 1ab2 h ALA 80 Ca 0.62 0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.75 1ab2 h ALA 80 Cb 1.34 1.04 -0.03 0.00 0.00 0.00 0.00 17.79 20.13 1ab2 h ALA 80 CO -0.66 -0.63 0.51 0.93 0.00 0.00 0.00 179.25 179.39 1ab2 h GLU 81 N -0.13 0.09 -0.43 0.00 3.07 -1.40 0.89 114.58 116.68 1ab2 h GLU 81 Ca 0.06 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.87 1ab2 h GLU 81 Cb 0.28 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 1ab2 h GLU 81 CO -0.39 0.06 0.10 1.25 -1.40 0.00 0.00 179.01 178.63 1ab2 h LEU 82 N 0.10 0.66 0.00 1.33 5.85 0.15 -1.85 115.31 121.54 1ab2 h LEU 82 Ca 0.35 -0.24 -0.19 0.00 0.84 0.00 0.00 57.88 58.64 1ab2 h LEU 82 Cb 1.24 -0.17 0.02 0.00 0.37 0.00 0.00 40.66 42.11 1ab2 h LEU 82 CO -0.04 0.72 -0.76 0.58 -0.34 0.00 0.00 178.44 178.61 1ab2 h VAL 83 N 0.56 1.38 -0.59 1.05 2.07 0.31 -1.18 116.25 119.86 1ab2 h VAL 83 Ca 0.13 -2.14 0.11 0.00 0.82 0.00 0.00 66.70 65.62 1ab2 h VAL 83 Cb 0.33 2.53 -0.11 0.00 -1.52 0.00 0.00 31.29 32.51 1ab2 h VAL 83 CO 0.00 0.64 -0.28 0.45 0.02 0.00 0.00 177.57 178.40 1ab2 h HIS 84 N 0.07 -0.75 -0.29 1.57 3.86 0.72 2.12 115.15 122.45 1ab2 h HIS 84 Ca -0.09 0.07 -0.17 0.00 -1.16 0.00 0.00 60.37 59.01 1ab2 h HIS 84 Cb 1.45 0.42 -0.00 0.00 1.06 0.00 0.00 27.41 30.34 1ab2 h HIS 84 CO 0.13 -0.35 -0.47 1.25 0.86 0.00 0.00 177.93 179.35 1ab2 h HIS 85 N -0.13 1.04 0.00 2.45 6.17 -1.40 -2.36 115.15 120.92 1ab2 h HIS 85 Ca 0.25 -0.36 0.00 0.00 0.71 0.00 0.00 60.37 60.97 1ab2 h HIS 85 Cb 0.53 -0.20 0.00 0.00 2.52 0.00 0.00 27.41 30.26 1ab2 h HIS 85 CO -0.60 1.17 0.00 0.72 0.71 0.00 0.00 177.93 179.93 1ab2 n HIS 86 N -4.08 0.00 -0.02 5.26 -0.00 0.20 0.43 115.22 117.00 1ab2 n HIS 86 Ca -0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.60 1ab2 n HIS 86 Cb 0.59 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.44 1ab2 n HIS 86 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ab2 n SER 87 N -0.61 0.78 0.00 0.41 2.88 0.69 -3.34 113.62 114.43 1ab2 n SER 87 Ca 0.04 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 1ab2 n SER 87 Cb 0.02 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1ab2 n SER 87 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ab2 n THR 88 N -2.99 0.00 -3.57 2.46 -2.24 -1.03 -4.71 114.28 102.20 1ab2 n THR 88 Ca -0.18 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.32 1ab2 n THR 88 Cb 1.03 -0.92 -0.12 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.93 0.95 -1.10 2.28 1.01 0.17 -5.02 120.40 116.75 1ab2 s VAL 89 Ca 0.00 -2.62 -0.18 0.00 0.00 0.00 0.00 61.98 59.19 1ab2 s VAL 89 Cb 0.00 -1.66 -0.07 0.00 0.00 0.00 0.00 36.38 34.66 1ab2 s VAL 89 CO 0.00 -1.05 2.09 0.00 0.00 0.00 0.00 175.10 176.14 1ab2 n ALA 90 N 3.22 4.44 0.65 5.51 0.00 -1.25 -3.82 120.51 129.26 1ab2 n ALA 90 Ca 0.18 -3.53 0.07 0.00 0.00 0.00 0.00 53.44 50.16 1ab2 n ALA 90 Cb 0.40 -3.57 0.36 0.00 0.00 0.00 0.00 19.45 16.64 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 6.68 0.00 0.07 0.00 -0.08 -1.26 -3.95 116.55 118.01 1ab2 n ASP 91 Ca 0.51 0.21 0.00 0.00 -1.51 0.00 0.00 54.79 54.00 1ab2 n ASP 91 Cb 0.39 -0.35 0.00 0.00 2.34 0.00 0.00 41.12 43.49 1ab2 n ASP 91 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ab2 n GLY 92 N 0.01 -0.12 3.77 0.27 0.00 -1.26 -4.43 105.19 103.42 1ab2 n GLY 92 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -6.81 4.45 0.00 0.99 1.43 -1.25 -4.81 118.68 112.67 1ab2 s LEU 93 Ca 0.00 2.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 1ab2 s LEU 93 Cb 0.00 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1ab2 s LEU 93 CO 0.00 -0.44 0.79 0.00 0.23 0.00 0.00 176.35 176.93 1ab2 n ILE 94 N 0.87 0.00 -0.24 -0.59 0.00 -1.26 -4.62 119.36 113.51 1ab2 n ILE 94 Ca -0.00 1.29 0.00 0.00 0.00 0.00 0.00 62.75 64.04 1ab2 n ILE 94 Cb 0.43 -2.17 0.00 0.00 0.00 0.00 0.00 39.64 37.90 1ab2 n ILE 94 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1ab2 n THR 95 N -1.57 0.00 -4.00 9.51 5.66 -1.26 -4.90 114.28 117.71 1ab2 n THR 95 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1ab2 n THR 95 Cb 0.00 -2.00 -0.16 0.00 -1.55 0.00 0.00 70.33 66.62 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 -0.22 1.62 -0.28 1.09 -4.23 -1.26 -4.71 115.64 107.65 1ab2 s THR 96 Ca 0.00 -0.89 -0.40 0.00 -1.18 0.00 0.00 61.69 59.22 1ab2 s THR 96 Cb 0.00 -1.64 -0.15 0.00 1.34 0.00 0.00 72.50 72.05 1ab2 s THR 96 CO 0.00 0.26 1.79 0.18 -0.54 0.00 0.00 174.62 176.31 1ab2 n LEU 97 N 4.71 2.42 -3.11 4.79 4.32 -1.21 -4.87 117.00 124.04 1ab2 n LEU 97 Ca -0.15 1.03 -0.21 0.00 -0.02 0.00 0.00 56.01 56.66 1ab2 n LEU 97 Cb 0.48 -1.15 -0.05 0.00 -1.62 0.00 0.00 43.42 41.07 1ab2 n LEU 97 CO 0.21 -0.42 -0.21 0.00 -1.22 0.00 0.00 177.39 175.74 1ab2 n HIS 98 N 5.74 -0.87 -2.71 -1.77 1.44 -1.26 -4.75 115.22 111.03 1ab2 n HIS 98 Ca 0.28 -3.26 -0.08 0.00 -2.01 0.00 0.00 57.72 52.65 1ab2 n HIS 98 Cb 0.14 -0.02 0.11 0.00 0.12 0.00 0.00 29.99 30.34 1ab2 n HIS 98 CO 0.00 0.00 0.00 0.98 -2.81 0.00 0.00 176.34 174.51 1ab2 n TYR 99 N 1.42 -2.40 -0.87 -1.40 4.19 -1.26 -4.39 117.16 112.45 1ab2 n TYR 99 Ca 0.19 -2.02 -0.20 0.00 3.31 0.00 0.00 57.90 59.19 1ab2 n TYR 99 Cb 0.55 1.52 -0.07 0.00 0.49 0.00 0.00 39.34 41.83 1ab2 n TYR 99 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1ab2 n PRO 100 N -0.37 2.18 -2.45 2.98 -0.04 -1.26 -4.40 135.00 131.64 1ab2 n PRO 100 Ca -0.00 -1.30 -0.43 0.00 -0.04 0.00 0.00 63.50 61.73 1ab2 n PRO 100 Cb 0.82 -2.26 -0.02 0.00 -0.04 0.00 0.00 33.50 31.99 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 2.25 3.35 0.37 0.55 0.00 0.66 -4.53 121.76 124.40 1ab2 s ALA 101 Ca 0.51 0.05 -0.25 0.00 0.00 0.00 0.00 51.96 52.27 1ab2 s ALA 101 Cb 0.18 -3.78 -0.09 0.00 0.00 0.00 0.00 23.12 19.43 1ab2 s ALA 101 CO -0.02 -1.79 1.06 -1.25 0.00 0.00 0.00 175.76 173.75 1ab2 s PRO 102 N 4.17 4.28 0.54 0.00 0.04 -1.03 -4.01 135.00 138.98 1ab2 s PRO 102 Ca 0.55 1.59 -0.21 0.00 0.04 0.00 0.00 61.00 62.97 1ab2 s PRO 102 Cb -0.16 -2.70 -0.05 0.00 0.04 0.00 0.00 34.50 31.63 1ab2 s PRO 102 CO 0.23 -0.06 1.20 0.15 0.04 0.00 0.00 177.00 178.57 1ab2 s LYS 103 N -2.23 3.31 -0.21 4.56 -0.14 -1.26 -4.98 119.74 118.79 1ab2 s LYS 103 Ca 0.55 1.84 -0.14 0.00 -1.36 0.00 0.00 55.97 56.85 1ab2 s LYS 103 Cb -0.25 -2.14 -0.09 0.00 -1.68 0.00 0.00 37.83 33.68 1ab2 s LYS 103 CO 0.31 -0.94 -0.32 -2.13 -0.76 0.00 0.00 175.35 171.51 1ab2 n ARG 104 N -1.11 0.51 -3.44 1.68 0.63 -1.26 -4.89 116.66 108.79 1ab2 n ARG 104 Ca 0.11 0.22 -0.28 0.00 -0.92 0.00 0.00 57.85 56.98 1ab2 n ARG 104 Cb 0.49 -1.38 -0.11 0.00 0.45 0.00 0.00 32.46 31.91 1ab2 n ARG 104 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1ab2 s GLY 105 N -5.19 1.21 -0.20 5.14 0.00 -1.26 -5.10 107.32 101.92 1ab2 s GLY 105 Ca -0.32 -2.39 -0.04 0.00 0.00 0.00 0.00 44.72 41.97 1ab2 s GLY 105 CO 0.42 2.06 -0.02 -1.50 0.00 0.00 0.00 173.10 174.06 1ab2 s ILE 106 N 0.21 3.74 -0.23 0.90 -1.16 -1.26 -5.04 121.20 118.35 1ab2 s ILE 106 Ca 0.29 -0.39 -0.39 0.00 -0.51 0.00 0.00 60.65 59.66 1ab2 s ILE 106 Cb -0.03 -2.68 -0.18 0.00 0.61 0.00 0.00 42.46 40.18 1ab2 s ILE 106 CO -0.15 0.43 1.19 0.00 -2.81 0.00 0.00 174.94 173.61 1ab2 n HIS 107 N 4.34 1.09 -3.92 3.50 -0.00 -1.26 -4.92 115.22 114.05 1ab2 n HIS 107 Ca -0.17 0.98 -0.09 0.00 -0.00 0.00 0.00 57.72 58.43 1ab2 n HIS 107 Cb 0.52 -1.91 -0.07 0.00 -0.00 0.00 0.00 29.99 28.53 1ab2 n HIS 107 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1ab2 s ARG 108 N 1.40 1.16 0.00 -1.40 1.81 -1.26 -5.13 118.95 115.53 1ab2 s ARG 108 Ca 0.87 -1.12 0.00 0.00 -1.72 0.00 0.00 55.73 53.76 1ab2 s ARG 108 Cb -1.23 0.39 0.00 0.00 -0.45 0.00 0.00 34.95 33.66 1ab2 s ARG 108 CO 0.62 -0.43 0.00 -0.40 -0.68 0.00 0.00 175.30 174.41