#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 -1.46 -1.27 1.61 7.64 -1.26 -5.15 113.62 113.74 1ab2 n SER 2 Ca 0.00 -1.07 0.14 0.00 1.01 0.00 0.00 58.87 58.96 1ab2 n SER 2 Cb 0.00 0.74 -0.07 0.00 -1.01 0.00 0.00 64.21 63.88 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 2.46 -2.41 0.00 0.23 0.00 -1.26 -5.07 105.19 99.14 1ab2 n GLY 3 Ca 0.10 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1ab2 n GLY 3 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ab2 n ASN 4 N -4.18 0.00 0.16 1.61 2.85 -1.26 -5.05 115.26 109.38 1ab2 n ASN 4 Ca -0.06 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.32 1ab2 n ASN 4 Cb 0.60 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.56 1ab2 n ASN 4 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1ab2 h SER 5 N 0.00 -0.41 -3.77 1.20 0.87 -1.98 -3.50 113.55 105.96 1ab2 h SER 5 Ca 0.00 -0.08 0.21 0.00 -1.23 0.00 0.00 61.79 60.69 1ab2 h SER 5 Cb 0.00 0.10 -0.11 0.00 -0.44 0.00 0.00 62.40 61.95 1ab2 h SER 5 CO 0.00 0.05 -0.75 0.18 -0.53 0.00 0.00 176.83 175.78 1ab2 n LEU 6 N -5.10 -0.62 -3.41 2.23 7.99 -1.25 -4.24 117.00 112.61 1ab2 n LEU 6 Ca -0.07 1.44 -0.35 0.00 -0.01 0.00 0.00 56.01 57.01 1ab2 n LEU 6 Cb 0.24 -1.94 -0.02 0.00 -0.11 0.00 0.00 43.42 41.59 1ab2 n LEU 6 CO 0.20 -1.34 2.72 -0.62 -1.51 0.00 0.00 177.39 176.84 1ab2 n GLU 7 N -3.43 2.66 0.00 3.23 1.02 -1.26 -4.33 120.64 118.52 1ab2 n GLU 7 Ca -0.05 -1.99 0.00 0.00 -0.02 0.00 0.00 57.16 55.09 1ab2 n GLU 7 Cb 0.41 -2.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.02 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 4.88 0.00 -1.05 3.49 0.00 -0.78 -4.90 118.16 119.81 1ab2 n LYS 8 Ca 0.58 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 58.59 1ab2 n LYS 8 Cb 0.26 0.00 0.24 0.00 0.00 0.00 0.00 35.03 35.53 1ab2 n LYS 8 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1ab2 s HIS 9 N 0.00 0.64 -2.00 5.64 3.76 -1.25 -4.84 115.29 117.24 1ab2 s HIS 9 Ca 0.00 0.57 0.20 0.00 -0.15 0.00 0.00 55.06 55.67 1ab2 s HIS 9 Cb 0.00 -3.40 1.18 0.00 1.11 0.00 0.00 32.58 31.48 1ab2 s HIS 9 CO 0.00 -3.83 1.68 0.45 -0.85 0.00 0.00 174.74 172.19 1ab2 n SER 10 N -4.74 0.00 0.00 1.40 2.88 -1.26 -2.01 113.62 109.88 1ab2 n SER 10 Ca 0.12 -1.12 0.00 0.00 -1.33 0.00 0.00 58.87 56.54 1ab2 n SER 10 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 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 -0.86 0.00 -3.82 0.66 4.27 -1.26 -4.12 117.44 112.32 1ab2 n TRP 11 Ca 0.15 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.40 1ab2 n TRP 11 Cb 0.07 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 29.90 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 -0.53 3.55 0.03 -2.67 5.04 -0.85 -2.48 117.35 119.44 1ab2 s TYR 12 Ca 0.00 -2.36 -0.02 0.00 -2.44 0.00 0.00 57.07 52.25 1ab2 s TYR 12 Cb 0.00 -3.01 -0.01 0.00 0.35 0.00 0.00 41.96 39.29 1ab2 s TYR 12 CO 0.00 -0.94 -0.03 0.72 -1.34 0.00 0.00 175.55 173.96 1ab2 n HIS 13 N 4.57 0.00 -0.61 4.97 8.25 -1.26 -1.86 115.22 129.28 1ab2 n HIS 13 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1ab2 n HIS 13 Cb 0.42 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.48 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 3.17 -0.75 3.68 -1.41 0.00 -1.26 -3.88 105.19 104.74 1ab2 n GLY 14 Ca -0.01 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.11 4.33 -0.05 1.61 0.04 -1.26 -3.82 135.00 135.73 1ab2 s PRO 15 Ca 0.00 1.69 -0.04 0.00 0.04 0.00 0.00 61.00 62.70 1ab2 s PRO 15 Cb 0.00 -3.59 0.02 0.00 0.04 0.00 0.00 34.50 30.96 1ab2 s PRO 15 CO 0.00 -0.50 0.12 0.54 0.04 0.00 0.00 177.00 177.20 1ab2 s VAL 16 N 2.44 -0.01 0.36 -0.36 0.11 -1.24 -4.96 120.40 116.74 1ab2 s VAL 16 Ca 0.56 0.05 -0.25 0.00 -2.93 0.00 0.00 61.98 59.41 1ab2 s VAL 16 Cb -0.25 -0.19 -0.09 0.00 -1.53 0.00 0.00 36.38 34.33 1ab2 s VAL 16 CO 0.21 0.02 1.04 -0.55 -3.33 0.00 0.00 175.10 172.49 1ab2 s SER 17 N 0.36 6.96 0.45 3.54 0.15 -1.26 -4.66 113.70 119.24 1ab2 s SER 17 Ca -0.02 2.05 0.13 0.00 0.70 0.00 0.00 55.95 58.80 1ab2 s SER 17 Cb -0.04 -2.59 1.04 0.00 -1.71 0.00 0.00 66.02 62.72 1ab2 s SER 17 CO -0.01 -0.35 2.04 0.08 1.20 0.00 0.00 173.24 176.19 1ab2 h ARG 18 N 2.89 0.35 -0.89 5.44 0.11 -1.99 -1.07 114.38 119.22 1ab2 h ARG 18 Ca -0.48 -0.02 0.21 0.00 0.10 0.00 0.00 59.98 59.79 1ab2 h ARG 18 Cb 1.21 -0.08 -0.12 0.00 1.11 0.00 0.00 29.97 32.09 1ab2 h ARG 18 CO 0.64 0.23 0.40 -0.91 0.10 0.00 0.00 179.97 180.43 1ab2 h ASN 19 N 0.36 0.36 0.97 0.08 2.35 -2.00 1.24 115.58 118.95 1ab2 h ASN 19 Ca 0.19 0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.97 1ab2 h ASN 19 Cb 0.29 0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1ab2 h ASN 19 CO -0.04 0.03 -0.52 0.00 -1.65 0.00 0.00 177.43 175.24 1ab2 h ALA 20 N 1.69 0.84 0.70 -0.83 0.00 -1.58 -1.51 119.26 118.57 1ab2 h ALA 20 Ca 0.55 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1ab2 h ALA 20 Cb 1.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1ab2 h ALA 20 CO -0.51 0.66 -0.46 0.00 0.00 0.00 0.00 179.25 178.94 1ab2 h ALA 21 N 1.48 -1.15 -0.22 0.00 0.00 0.18 1.85 119.26 121.40 1ab2 h ALA 21 Ca -0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1ab2 h ALA 21 Cb 1.15 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1ab2 h ALA 21 CO 0.07 -1.16 -0.03 1.05 0.00 0.00 0.00 179.25 179.17 1ab2 h GLU 22 N -1.10 0.41 0.54 0.00 4.11 -1.26 -1.00 114.58 116.28 1ab2 h GLU 22 Ca -0.09 -0.15 -0.03 0.00 0.07 0.00 0.00 59.36 59.17 1ab2 h GLU 22 Cb 0.89 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.12 1ab2 h GLU 22 CO 0.08 0.63 -0.26 -0.92 0.07 0.00 0.00 179.01 178.61 1ab2 h TYR 23 N 0.15 -0.67 0.00 2.06 3.20 -1.18 -2.09 116.97 118.43 1ab2 h TYR 23 Ca 0.06 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1ab2 h TYR 23 Cb 0.47 0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.96 1ab2 h TYR 23 CO 0.05 -0.42 0.27 1.25 -1.64 0.00 0.00 178.16 177.67 1ab2 h LEU 24 N -0.74 0.00 -1.00 2.82 6.46 0.28 -0.05 115.31 123.08 1ab2 h LEU 24 Ca -0.07 0.00 0.23 0.00 -0.12 0.00 0.00 57.88 57.91 1ab2 h LEU 24 Cb 0.56 0.00 -0.12 0.00 -0.73 0.00 0.00 40.66 40.37 1ab2 h LEU 24 CO 0.12 0.00 0.59 0.25 -0.62 0.00 0.00 178.44 178.79 1ab2 h LEU 25 N 0.00 0.70 0.00 2.25 5.85 -0.44 -3.43 115.31 120.24 1ab2 h LEU 25 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1ab2 h LEU 25 Cb 0.54 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1ab2 h LEU 25 CO 0.00 0.16 0.00 -1.54 -0.34 0.00 0.00 178.44 176.72 1ab2 n SER 26 N -4.85 0.00 -2.78 1.25 3.41 -0.04 -4.53 113.62 106.08 1ab2 n SER 26 Ca 0.26 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.59 1ab2 n SER 26 Cb 0.69 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.63 1ab2 n SER 26 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ab2 n SER 27 N 1.11 -1.65 -4.14 4.04 7.64 -1.26 -4.87 113.62 114.48 1ab2 n SER 27 Ca 0.00 0.56 -0.38 0.00 1.01 0.00 0.00 58.87 60.07 1ab2 n SER 27 Cb 0.00 -0.58 -0.10 0.00 -1.01 0.00 0.00 64.21 62.52 1ab2 n SER 27 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ab2 s GLY 28 N -0.64 2.20 0.12 0.23 0.00 -1.26 -5.08 107.32 102.88 1ab2 s GLY 28 Ca 0.39 -2.81 -0.01 0.00 0.00 0.00 0.00 44.72 42.29 1ab2 s GLY 28 CO 0.40 1.08 0.16 1.39 0.00 0.00 0.00 173.10 176.12 1ab2 n ILE 29 N 4.26 0.00 1.15 0.90 5.41 -1.26 -4.92 119.36 124.90 1ab2 n ILE 29 Ca 0.01 -0.18 0.10 0.00 1.00 0.00 0.00 62.75 63.68 1ab2 n ILE 29 Cb 0.40 -1.59 0.56 0.00 -0.71 0.00 0.00 39.64 38.30 1ab2 n ILE 29 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1ab2 n ASN 30 N -3.05 0.00 0.00 4.38 6.94 -1.26 -4.73 115.26 117.54 1ab2 n ASN 30 Ca 0.02 -0.45 0.00 0.00 -0.02 0.00 0.00 54.58 54.13 1ab2 n ASN 30 Cb 0.08 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1ab2 n ASN 30 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ab2 n GLY 31 N 0.26 4.36 3.33 4.83 0.00 -1.26 -4.73 105.19 111.99 1ab2 n GLY 31 Ca 0.13 -1.03 -0.07 0.00 0.00 0.00 0.00 46.02 45.05 1ab2 n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ab2 s SER 32 N 0.00 -0.43 -0.05 1.61 0.15 -1.09 -4.12 113.70 109.76 1ab2 s SER 32 Ca 0.00 1.09 -0.02 0.00 0.70 0.00 0.00 55.95 57.71 1ab2 s SER 32 Cb 0.00 1.45 -0.04 0.00 -1.71 0.00 0.00 66.02 65.73 1ab2 s SER 32 CO 0.00 -0.23 0.07 0.72 1.20 0.00 0.00 173.24 175.00 1ab2 s PHE 33 N 2.54 3.31 -0.20 3.44 -0.71 -1.24 0.26 117.98 125.37 1ab2 s PHE 33 Ca -0.03 0.27 -0.10 0.00 -1.04 0.00 0.00 56.93 56.03 1ab2 s PHE 33 Cb -0.12 -1.80 0.07 0.00 -1.21 0.00 0.00 43.02 39.97 1ab2 s PHE 33 CO -0.14 0.56 0.47 -0.48 -1.34 0.00 0.00 175.22 174.29 1ab2 s LEU 34 N -1.32 -0.43 0.27 -1.99 2.34 0.26 -4.45 118.68 113.37 1ab2 s LEU 34 Ca 0.18 1.05 -0.30 0.00 0.06 0.00 0.00 54.13 55.13 1ab2 s LEU 34 Cb -0.12 1.56 -0.09 0.00 -0.56 0.00 0.00 46.19 46.97 1ab2 s LEU 34 CO 0.08 -0.21 1.07 -0.69 -1.06 0.00 0.00 176.35 175.54 1ab2 s VAL 35 N 1.84 3.59 -0.10 1.48 1.01 -1.04 0.84 120.40 128.02 1ab2 s VAL 35 Ca -0.07 1.60 0.01 0.00 0.00 0.00 0.00 61.98 63.52 1ab2 s VAL 35 Cb -0.09 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.29 1ab2 s VAL 35 CO -0.14 0.38 -0.10 -0.13 0.00 0.00 0.00 175.10 175.12 1ab2 s ARG 36 N -1.40 1.63 0.05 2.72 0.52 0.18 -4.76 118.95 117.90 1ab2 s ARG 36 Ca 0.44 -0.33 0.01 0.00 -0.52 0.00 0.00 55.73 55.33 1ab2 s ARG 36 Cb -0.31 -1.56 -0.04 0.00 0.52 0.00 0.00 34.95 33.56 1ab2 s ARG 36 CO 0.39 -0.17 0.15 -1.83 0.02 0.00 0.00 175.30 173.87 1ab2 s GLU 37 N 1.35 3.21 0.00 3.54 -1.05 -1.25 0.31 118.70 124.82 1ab2 s GLU 37 Ca -0.01 -0.52 0.00 0.00 -0.15 0.00 0.00 54.97 54.29 1ab2 s GLU 37 Cb -0.14 -2.92 0.00 0.00 -0.44 0.00 0.00 34.13 30.63 1ab2 s GLU 37 CO -0.05 0.60 0.00 0.45 0.95 0.00 0.00 175.26 177.22 1ab2 n SER 38 N 0.50 0.00 0.00 0.83 2.88 -1.12 -3.61 113.62 113.10 1ab2 n SER 38 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1ab2 n SER 38 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1ab2 n SER 38 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1ab2 n GLU 39 N 0.00 0.00 -2.88 -1.46 4.07 -1.26 -4.63 120.64 114.48 1ab2 n GLU 39 Ca 0.00 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.02 1ab2 n GLU 39 Cb 0.00 -0.39 -0.01 0.00 -0.06 0.00 0.00 31.44 30.98 1ab2 n GLU 39 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1ab2 n SER 40 N -0.61 -2.90 -4.32 4.31 2.88 -1.26 -5.03 113.62 106.69 1ab2 n SER 40 Ca 0.00 -2.82 -0.17 0.00 -1.33 0.00 0.00 58.87 54.55 1ab2 n SER 40 Cb 0.00 1.32 -0.10 0.00 -0.75 0.00 0.00 64.21 64.68 1ab2 n SER 40 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ab2 s SER 41 N 0.71 2.23 -0.87 -3.46 0.15 -1.26 -5.08 113.70 106.12 1ab2 s SER 41 Ca 0.31 -1.06 -0.25 0.00 0.70 0.00 0.00 55.95 55.65 1ab2 s SER 41 Cb 0.01 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 1ab2 s SER 41 CO -0.08 -0.28 1.65 -2.16 1.20 0.00 0.00 173.24 173.57 1ab2 s PRO 42 N -3.71 3.03 0.00 5.44 0.04 -1.26 -3.89 135.00 134.64 1ab2 s PRO 42 Ca 0.22 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.83 1ab2 s PRO 42 Cb 0.02 -4.92 0.00 0.00 0.04 0.00 0.00 34.50 29.64 1ab2 s PRO 42 CO 0.05 -2.67 0.00 0.41 0.04 0.00 0.00 177.00 174.83 1ab2 n GLY 43 N 6.44 -0.46 2.65 0.56 0.00 -1.26 -4.78 105.19 108.34 1ab2 n GLY 43 Ca 0.28 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.96 0.73 0.13 1.61 1.03 -1.25 -3.84 119.66 116.10 1ab2 s GLN 44 Ca 0.00 -1.24 0.05 0.00 0.04 0.00 0.00 55.36 54.22 1ab2 s GLN 44 Cb 0.00 -1.81 -0.04 0.00 0.03 0.00 0.00 33.01 31.19 1ab2 s GLN 44 CO 0.00 -1.07 -0.12 1.03 -2.54 0.00 0.00 175.29 172.59 1ab2 s ARG 45 N 1.32 1.03 0.09 9.60 3.00 -1.26 -2.80 118.95 129.93 1ab2 s ARG 45 Ca 0.13 -1.31 -0.00 0.00 0.00 0.00 0.00 55.73 54.54 1ab2 s ARG 45 Cb -0.20 -0.78 -0.04 0.00 0.00 0.00 0.00 34.95 33.93 1ab2 s ARG 45 CO -0.17 0.13 -0.01 0.45 0.00 0.00 0.00 175.30 175.71 1ab2 s SER 46 N -2.72 0.57 -0.06 0.23 0.15 0.93 0.26 113.70 113.06 1ab2 s SER 46 Ca 0.12 -1.07 -0.01 0.00 0.70 0.00 0.00 55.95 55.68 1ab2 s SER 46 Cb -0.02 0.21 0.03 0.00 -1.71 0.00 0.00 66.02 64.52 1ab2 s SER 46 CO 0.02 -0.62 0.00 -0.63 1.20 0.00 0.00 173.24 173.22 1ab2 s ILE 47 N -3.90 0.34 -0.40 6.45 -1.09 -0.05 0.50 121.20 123.04 1ab2 s ILE 47 Ca 0.14 0.13 -0.05 0.00 -2.23 0.00 0.00 60.65 58.63 1ab2 s ILE 47 Cb 0.07 -0.49 0.09 0.00 -1.58 0.00 0.00 42.46 40.56 1ab2 s ILE 47 CO -0.05 0.25 0.21 -0.94 -1.23 0.00 0.00 174.94 173.18 1ab2 s SER 48 N 1.87 5.38 -0.18 3.58 1.04 0.25 -0.93 113.70 124.70 1ab2 s SER 48 Ca 0.03 -1.74 -0.04 0.00 0.48 0.00 0.00 55.95 54.68 1ab2 s SER 48 Cb -0.12 -1.89 -0.02 0.00 0.10 0.00 0.00 66.02 64.09 1ab2 s SER 48 CO -0.05 -0.52 -0.02 -1.48 0.98 0.00 0.00 173.24 172.15 1ab2 s LEU 49 N 1.27 3.19 0.35 2.42 0.05 -0.59 0.89 118.68 126.27 1ab2 s LEU 49 Ca 0.04 -0.20 -0.11 0.00 0.05 0.00 0.00 54.13 53.91 1ab2 s LEU 49 Cb -0.23 -1.79 -0.07 0.00 -2.05 0.00 0.00 46.19 42.05 1ab2 s LEU 49 CO -0.01 0.10 0.72 -0.60 -0.55 0.00 0.00 176.35 176.00 1ab2 s ARG 50 N 0.78 3.83 0.00 1.48 3.00 0.72 -1.38 118.95 127.38 1ab2 s ARG 50 Ca -0.01 0.46 0.00 0.00 -1.00 0.00 0.00 55.73 55.18 1ab2 s ARG 50 Cb -0.14 -2.45 0.00 0.00 0.00 0.00 0.00 34.95 32.35 1ab2 s ARG 50 CO 0.02 0.08 0.00 0.98 0.00 0.00 0.00 175.30 176.37 1ab2 n TYR 51 N -0.89 0.00 -2.02 5.12 9.36 -0.14 -2.68 117.16 125.90 1ab2 n TYR 51 Ca 0.02 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 60.96 1ab2 n TYR 51 Cb 0.54 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.18 1ab2 n TYR 51 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1ab2 n GLU 52 N 0.00 1.52 -3.52 2.98 -0.58 -1.26 -3.60 120.64 116.17 1ab2 n GLU 52 Ca 0.00 -2.42 -0.21 0.00 -0.42 0.00 0.00 57.16 54.11 1ab2 n GLU 52 Cb 0.00 -3.73 0.08 0.00 -0.57 0.00 0.00 31.44 27.22 1ab2 n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ab2 n GLY 53 N 5.77 -0.46 3.26 0.62 0.00 -1.26 -5.00 105.19 108.12 1ab2 n GLY 53 Ca 0.45 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.52 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 -5.94 0.63 -0.21 1.61 0.52 -1.24 -5.14 118.95 109.18 1ab2 s ARG 54 Ca 0.36 0.02 0.02 0.00 -0.52 0.00 0.00 55.73 55.61 1ab2 s ARG 54 Cb -0.16 0.29 0.03 0.00 0.52 0.00 0.00 34.95 35.63 1ab2 s ARG 54 CO 0.72 -0.16 -0.17 0.54 0.02 0.00 0.00 175.30 176.26 1ab2 s VAL 55 N -0.91 2.08 -0.27 3.52 0.11 -1.26 -0.97 120.40 122.70 1ab2 s VAL 55 Ca -0.10 -1.18 -0.12 0.00 -2.93 0.00 0.00 61.98 57.64 1ab2 s VAL 55 Cb -0.04 -2.00 -0.05 0.00 -1.53 0.00 0.00 36.38 32.76 1ab2 s VAL 55 CO 0.04 0.33 0.26 -0.31 -3.33 0.00 0.00 175.10 172.08 1ab2 s TYR 56 N 1.23 3.25 -0.35 1.54 1.51 -0.48 -4.97 117.35 119.07 1ab2 s TYR 56 Ca -0.00 0.25 -0.04 0.00 -1.01 0.00 0.00 57.07 56.27 1ab2 s TYR 56 Cb -0.16 -2.44 0.06 0.00 -0.11 0.00 0.00 41.96 39.32 1ab2 s TYR 56 CO -0.10 -0.15 0.11 -1.01 -1.11 0.00 0.00 175.55 173.28 1ab2 s HIS 57 N 1.77 3.34 -0.40 2.71 3.76 -1.26 -1.54 115.29 123.67 1ab2 s HIS 57 Ca 0.10 -1.83 -0.03 0.00 -0.15 0.00 0.00 55.06 53.16 1ab2 s HIS 57 Cb -0.16 -2.51 0.11 0.00 1.11 0.00 0.00 32.58 31.13 1ab2 s HIS 57 CO 0.10 -0.83 0.19 0.71 -0.85 0.00 0.00 174.74 174.07 1ab2 s TYR 58 N 1.29 3.59 -0.60 1.40 2.02 -0.11 -4.93 117.35 120.02 1ab2 s TYR 58 Ca -0.00 -2.42 -0.27 0.00 -0.37 0.00 0.00 57.07 54.01 1ab2 s TYR 58 Cb -0.21 -3.18 -0.02 0.00 -0.40 0.00 0.00 41.96 38.15 1ab2 s TYR 58 CO -0.00 -0.97 1.87 1.03 -1.57 0.00 0.00 175.55 175.91 1ab2 s ARG 59 N 1.14 2.64 0.00 -0.62 0.52 -1.26 -0.87 118.95 120.50 1ab2 s ARG 59 Ca 0.08 0.67 0.00 0.00 -0.52 0.00 0.00 55.73 55.95 1ab2 s ARG 59 Cb -0.23 -4.38 0.00 0.00 0.52 0.00 0.00 34.95 30.86 1ab2 s ARG 59 CO -0.04 -2.71 0.00 -0.89 0.02 0.00 0.00 175.30 171.68 1ab2 n ILE 60 N 7.24 0.00 -3.61 1.52 5.41 0.73 -4.88 119.36 125.78 1ab2 n ILE 60 Ca 0.21 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.97 1ab2 n ILE 60 Cb 0.52 -0.34 -0.01 0.00 -0.71 0.00 0.00 39.64 39.10 1ab2 n ILE 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1ab2 s ASN 61 N -1.50 -0.06 0.21 4.38 4.22 -1.26 -4.03 114.94 116.90 1ab2 s ASN 61 Ca 0.00 -0.09 0.07 0.00 -2.14 0.00 0.00 52.86 50.69 1ab2 s ASN 61 Cb 0.00 0.13 -0.04 0.00 1.28 0.00 0.00 41.25 42.62 1ab2 s ASN 61 CO 0.00 -0.24 0.10 -0.89 -2.04 0.00 0.00 177.10 174.03 1ab2 s THR 62 N -2.35 4.13 0.00 0.54 2.01 -1.25 -2.66 115.64 116.06 1ab2 s THR 62 Ca 0.13 -1.38 -0.12 0.00 0.31 0.00 0.00 61.69 60.63 1ab2 s THR 62 Cb 0.04 -3.15 -0.07 0.00 0.01 0.00 0.00 72.50 69.33 1ab2 s THR 62 CO -0.04 -0.22 0.83 0.00 -0.69 0.00 0.00 174.62 174.50 1ab2 h ALA 63 N 2.14 -0.77 0.00 7.40 0.00 -0.19 -3.46 119.26 124.38 1ab2 h ALA 63 Ca -0.47 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1ab2 h ALA 63 Cb 1.22 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1ab2 h ALA 63 CO 0.61 -0.73 0.00 -1.13 0.00 0.00 0.00 179.25 177.99 1ab2 n SER 64 N -3.66 0.00 0.20 0.00 3.41 -1.26 -4.93 113.62 107.37 1ab2 n SER 64 Ca -0.05 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.61 1ab2 n SER 64 Cb 0.17 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.53 1ab2 n SER 64 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1ab2 h ASP 65 N 0.00 0.00 0.00 4.04 3.58 -2.02 -3.46 116.42 118.57 1ab2 h ASP 65 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ab2 h ASP 65 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1ab2 h ASP 65 CO 0.00 0.34 0.00 0.61 -2.88 0.00 0.00 179.24 177.31 1ab2 n GLY 66 N -0.19 0.56 3.69 -0.78 0.00 -1.26 -5.12 105.19 102.09 1ab2 n GLY 66 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 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 2.14 -3.68 1.61 5.02 -1.26 -4.73 118.16 117.26 1ab2 n LYS 67 Ca 0.00 0.76 -0.37 0.00 -2.02 0.00 0.00 58.31 56.67 1ab2 n LYS 67 Cb 0.00 -2.41 -0.12 0.00 -0.02 0.00 0.00 35.03 32.48 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 -0.20 3.77 -0.07 -0.35 1.02 0.85 0.54 118.68 124.25 1ab2 s LEU 68 Ca 0.65 -0.20 0.01 0.00 0.02 0.00 0.00 54.13 54.62 1ab2 s LEU 68 Cb -0.61 -2.01 0.02 0.00 0.02 0.00 0.00 46.19 43.61 1ab2 s LEU 68 CO 0.52 -0.07 -0.08 -0.72 0.02 0.00 0.00 176.35 176.02 1ab2 s TYR 69 N 1.67 1.19 -0.00 0.29 -0.85 -1.09 0.11 117.35 118.66 1ab2 s TYR 69 Ca 0.06 -0.44 0.11 0.00 -0.52 0.00 0.00 57.07 56.28 1ab2 s TYR 69 Cb -0.16 -0.95 -0.20 0.00 0.38 0.00 0.00 41.96 41.04 1ab2 s TYR 69 CO 0.07 -0.29 0.93 0.28 -1.52 0.00 0.00 175.55 175.02 1ab2 h VAL 70 N 6.08 1.10 0.00 -3.49 2.07 -1.83 -3.36 116.25 116.83 1ab2 h VAL 70 Ca -0.32 -2.84 0.00 0.00 0.82 0.00 0.00 66.70 64.36 1ab2 h VAL 70 Cb 1.16 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 1ab2 h VAL 70 CO 0.45 0.63 0.00 -0.24 0.02 0.00 0.00 177.57 178.43 1ab2 n SER 71 N -3.14 0.00 0.00 0.57 2.88 -1.26 -4.87 113.62 107.80 1ab2 n SER 71 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1ab2 n SER 71 Cb 0.97 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.43 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 -0.79 0.00 -0.20 -3.46 3.41 -1.26 -4.93 113.62 106.39 1ab2 n SER 72 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 1ab2 n SER 72 Cb 0.00 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.42 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 0.81 -2.84 4.33 2.13 -1.26 -4.04 120.64 119.76 1ab2 n GLU 73 Ca 0.00 -0.41 -0.23 0.00 0.66 0.00 0.00 57.16 57.18 1ab2 n GLU 73 Cb 0.00 -1.49 -0.02 0.00 0.27 0.00 0.00 31.44 30.20 1ab2 n GLU 73 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1ab2 n SER 74 N -0.74 3.44 -4.83 4.31 7.64 -1.26 -5.08 113.62 117.10 1ab2 n SER 74 Ca 0.13 -3.44 -0.33 0.00 1.01 0.00 0.00 58.87 56.24 1ab2 n SER 74 Cb 0.32 -0.54 -0.04 0.00 -1.01 0.00 0.00 64.21 62.94 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 -3.24 3.97 0.31 1.43 0.52 -1.26 -4.34 118.95 116.34 1ab2 s ARG 75 Ca 0.44 1.08 0.04 0.00 -0.52 0.00 0.00 55.73 56.77 1ab2 s ARG 75 Cb 0.35 -2.14 -0.03 0.00 0.52 0.00 0.00 34.95 33.65 1ab2 s ARG 75 CO -0.12 -0.26 0.19 -0.06 0.02 0.00 0.00 175.30 175.07 1ab2 s PHE 76 N -2.38 1.61 -0.04 -0.53 0.08 0.30 -4.93 117.98 112.09 1ab2 s PHE 76 Ca 0.61 -1.46 0.03 0.00 0.12 0.00 0.00 56.93 56.24 1ab2 s PHE 76 Cb -0.11 -0.81 -0.05 0.00 -0.57 0.00 0.00 43.02 41.49 1ab2 s PHE 76 CO 0.24 -0.62 0.01 0.09 -0.10 0.00 0.00 175.22 174.84 1ab2 n ASN 77 N -1.08 4.07 -4.26 1.36 3.02 -1.26 0.29 115.26 117.40 1ab2 n ASN 77 Ca 0.02 -0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.26 1ab2 n ASN 77 Cb 0.64 0.58 -0.17 0.00 -0.61 0.00 0.00 39.78 40.22 1ab2 n ASN 77 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ab2 s THR 78 N -2.09 2.06 0.46 3.41 2.01 -1.26 -4.61 115.64 115.61 1ab2 s THR 78 Ca -0.02 -1.06 0.31 0.00 0.31 0.00 0.00 61.69 61.23 1ab2 s THR 78 Cb 0.01 -1.75 0.51 0.00 0.01 0.00 0.00 72.50 71.28 1ab2 s THR 78 CO 0.15 0.57 1.66 -0.07 -0.69 0.00 0.00 174.62 176.24 1ab2 h LEU 79 N 6.19 0.22 0.36 4.42 4.07 -1.95 0.12 115.31 128.75 1ab2 h LEU 79 Ca -0.29 0.10 -0.02 0.00 0.08 0.00 0.00 57.88 57.75 1ab2 h LEU 79 Cb 1.19 0.08 0.00 0.00 1.08 0.00 0.00 40.66 43.01 1ab2 h LEU 79 CO 0.47 -0.10 -0.17 0.00 -1.08 0.00 0.00 178.44 177.56 1ab2 h ALA 80 N 1.51 -0.99 -0.83 1.53 0.00 -1.99 -1.31 119.26 117.17 1ab2 h ALA 80 Ca 0.77 -0.11 0.24 0.00 0.00 0.00 0.00 54.91 55.81 1ab2 h ALA 80 Cb 2.50 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 20.44 1ab2 h ALA 80 CO -0.31 -0.96 0.99 0.93 0.00 0.00 0.00 179.25 179.91 1ab2 h GLU 81 N -0.54 0.00 0.24 0.00 3.07 -1.21 1.02 114.58 117.16 1ab2 h GLU 81 Ca -0.05 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.80 1ab2 h GLU 81 Cb 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1ab2 h GLU 81 CO 0.08 0.00 -0.12 1.25 -1.40 0.00 0.00 179.01 178.82 1ab2 h LEU 82 N 0.00 -0.28 -1.28 1.33 6.46 -0.76 -2.79 115.31 118.00 1ab2 h LEU 82 Ca 0.40 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 58.19 1ab2 h LEU 82 Cb 2.37 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 42.33 1ab2 h LEU 82 CO -0.00 0.03 0.50 1.62 -0.62 0.00 0.00 178.44 179.97 1ab2 h VAL 83 N -0.79 1.15 -0.01 1.05 3.04 0.58 -0.52 116.25 120.75 1ab2 h VAL 83 Ca -0.03 -0.33 0.01 0.00 -1.01 0.00 0.00 66.70 65.34 1ab2 h VAL 83 Cb 0.25 0.10 -0.03 0.00 -2.01 0.00 0.00 31.29 29.60 1ab2 h VAL 83 CO 0.06 0.18 -0.31 0.45 -1.01 0.00 0.00 177.57 176.93 1ab2 h HIS 84 N 0.96 -0.92 -0.70 3.17 3.86 0.81 1.05 115.15 123.38 1ab2 h HIS 84 Ca 0.29 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.59 1ab2 h HIS 84 Cb -0.02 0.40 -0.05 0.00 1.06 0.00 0.00 27.41 28.80 1ab2 h HIS 84 CO -0.00 -0.33 0.40 1.25 0.86 0.00 0.00 177.93 180.11 1ab2 h HIS 85 N -0.39 0.74 0.00 2.45 -0.00 -1.23 0.53 115.15 117.25 1ab2 h HIS 85 Ca 0.01 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1ab2 h HIS 85 Cb 0.42 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.60 1ab2 h HIS 85 CO -0.46 0.37 0.00 0.72 -0.00 0.00 0.00 177.93 178.56 1ab2 n HIS 86 N -4.75 0.00 0.09 5.26 -0.00 -0.22 0.11 115.22 115.70 1ab2 n HIS 86 Ca 0.09 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.65 1ab2 n HIS 86 Cb 0.16 -0.01 -0.14 0.00 -0.00 0.00 0.00 29.99 30.00 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 0.39 0.00 0.41 0.87 0.65 -3.33 113.55 112.53 1ab2 h SER 87 Ca 0.00 -0.45 -0.08 0.00 -1.23 0.00 0.00 61.79 60.02 1ab2 h SER 87 Cb 0.01 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 1ab2 h SER 87 CO 0.00 1.36 -1.31 1.07 -0.53 0.00 0.00 176.83 177.43 1ab2 n THR 88 N -3.49 0.31 -3.64 2.23 5.66 -0.83 -4.77 114.28 109.75 1ab2 n THR 88 Ca -0.11 -0.18 -0.28 0.00 -3.05 0.00 0.00 64.05 60.43 1ab2 n THR 88 Cb 1.03 -0.86 -0.12 0.00 -1.55 0.00 0.00 70.33 68.83 1ab2 n THR 88 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1ab2 s VAL 89 N -2.11 1.30 -0.79 1.08 1.01 0.30 -5.01 120.40 116.18 1ab2 s VAL 89 Ca -0.03 -2.86 -0.17 0.00 0.00 0.00 0.00 61.98 58.92 1ab2 s VAL 89 Cb 0.01 -1.90 -0.12 0.00 0.00 0.00 0.00 36.38 34.38 1ab2 s VAL 89 CO 0.18 -1.02 1.96 0.00 0.00 0.00 0.00 175.10 176.21 1ab2 n ALA 90 N 3.07 3.66 -0.11 5.51 0.00 -1.25 -3.64 120.51 127.75 1ab2 n ALA 90 Ca 0.17 -2.82 0.00 0.00 0.00 0.00 0.00 53.44 50.79 1ab2 n ALA 90 Cb 0.39 -3.42 0.00 0.00 0.00 0.00 0.00 19.45 16.42 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 6.43 4.59 0.10 0.00 8.00 -1.26 -3.99 116.55 130.41 1ab2 n ASP 91 Ca 0.47 -2.25 0.00 0.00 0.71 0.00 0.00 54.79 53.72 1ab2 n ASP 91 Cb 0.31 -0.94 0.00 0.00 -0.02 0.00 0.00 41.12 40.48 1ab2 n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ab2 n GLY 92 N 1.26 -1.77 3.77 0.44 0.00 -1.26 -4.20 105.19 103.44 1ab2 n GLY 92 Ca 0.00 0.50 -0.38 0.00 0.00 0.00 0.00 46.02 46.14 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 -5.78 4.23 0.00 0.99 1.43 -1.26 -4.89 118.68 113.40 1ab2 s LEU 93 Ca 0.00 2.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 1ab2 s LEU 93 Cb 0.00 -4.01 0.00 0.00 0.03 0.00 0.00 46.19 42.21 1ab2 s LEU 93 CO 0.00 -0.54 0.60 0.00 0.23 0.00 0.00 176.35 176.64 1ab2 n ILE 94 N 0.19 0.00 0.00 -0.59 0.00 -1.26 -4.76 119.36 112.94 1ab2 n ILE 94 Ca 0.04 1.10 0.00 0.00 0.00 0.00 0.00 62.75 63.89 1ab2 n ILE 94 Cb 0.47 -2.01 0.00 0.00 0.00 0.00 0.00 39.64 38.10 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 -0.92 0.00 -4.37 9.51 5.66 -1.26 -4.96 114.28 117.94 1ab2 n THR 95 Ca 0.00 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.82 1ab2 n THR 95 Cb 0.00 -0.86 -0.10 0.00 -1.55 0.00 0.00 70.33 67.81 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 0.00 0.87 0.41 1.09 -4.23 -1.26 -4.83 115.64 107.69 1ab2 s THR 96 Ca 0.00 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.38 1ab2 s THR 96 Cb 0.00 -2.65 -0.07 0.00 1.34 0.00 0.00 72.50 71.12 1ab2 s THR 96 CO 0.00 -0.06 0.81 -1.48 -0.54 0.00 0.00 174.62 173.35 1ab2 s LEU 97 N -3.38 3.85 0.00 4.79 2.34 -1.26 -4.77 118.68 120.25 1ab2 s LEU 97 Ca 0.36 1.26 0.00 0.00 0.06 0.00 0.00 54.13 55.81 1ab2 s LEU 97 Cb 0.08 -4.14 0.00 0.00 -0.56 0.00 0.00 46.19 41.57 1ab2 s LEU 97 CO 0.14 -0.39 0.00 1.41 -1.06 0.00 0.00 176.35 176.45 1ab2 n HIS 98 N -1.12 0.00 -3.80 3.48 8.25 -1.26 -5.02 115.22 115.75 1ab2 n HIS 98 Ca 0.04 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.21 1ab2 n HIS 98 Cb 0.54 0.30 -0.16 0.00 1.12 0.00 0.00 29.99 31.79 1ab2 n HIS 98 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1ab2 s TYR 99 N -0.68 1.56 -0.90 4.41 -0.85 -1.26 -5.04 117.35 114.59 1ab2 s TYR 99 Ca 0.00 -1.25 -0.24 0.00 -0.52 0.00 0.00 57.07 55.05 1ab2 s TYR 99 Cb 0.00 -1.29 0.00 0.00 0.38 0.00 0.00 41.96 41.06 1ab2 s TYR 99 CO 0.00 -0.69 1.66 -1.25 -1.52 0.00 0.00 175.55 173.75 1ab2 s PRO 100 N 1.68 3.05 0.07 -3.49 0.04 -1.26 -4.24 135.00 130.84 1ab2 s PRO 100 Ca -0.02 -0.53 -0.37 0.00 0.04 0.00 0.00 61.00 60.13 1ab2 s PRO 100 Cb -0.18 -5.02 -0.19 0.00 0.04 0.00 0.00 34.50 29.16 1ab2 s PRO 100 CO -0.09 -2.71 1.02 0.00 0.04 0.00 0.00 177.00 175.26 1ab2 n ALA 101 N 11.29 -2.85 -1.43 8.56 0.00 -1.26 -4.52 120.51 130.31 1ab2 n ALA 101 Ca 0.31 0.55 -0.18 0.00 0.00 0.00 0.00 53.44 54.12 1ab2 n ALA 101 Cb 0.49 -1.81 0.19 0.00 0.00 0.00 0.00 19.45 18.33 1ab2 n ALA 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ab2 n PRO 102 N 1.57 -1.95 -1.78 0.00 -0.04 -1.26 -4.51 135.00 127.03 1ab2 n PRO 102 Ca 0.19 -1.62 -0.29 0.00 -0.04 0.00 0.00 63.50 61.74 1ab2 n PRO 102 Cb 0.14 -1.28 0.20 0.00 -0.04 0.00 0.00 33.50 32.53 1ab2 n PRO 102 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ab2 n LYS 103 N -3.86 -1.41 0.16 0.54 4.76 -1.26 -5.01 118.16 112.07 1ab2 n LYS 103 Ca 0.14 -1.97 -0.12 0.00 -2.87 0.00 0.00 58.31 53.49 1ab2 n LYS 103 Cb 0.50 -1.35 -0.07 0.00 -1.84 0.00 0.00 35.03 32.27 1ab2 n LYS 103 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ab2 h ARG 104 N 0.00 -0.45 0.00 1.97 -0.00 -2.02 -3.49 114.38 110.40 1ab2 h ARG 104 Ca -0.42 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.09 1ab2 h ARG 104 Cb 1.16 0.10 0.00 0.00 0.00 0.00 0.00 29.97 31.23 1ab2 h ARG 104 CO 0.29 -0.13 0.00 0.41 0.00 0.00 0.00 179.97 180.54 1ab2 n GLY 105 N 0.08 0.66 3.50 0.04 0.00 -1.26 -5.07 105.19 103.12 1ab2 n GLY 105 Ca -0.09 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 1ab2 n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ab2 s ILE 106 N -0.97 4.55 -0.92 -0.61 1.01 -1.26 -4.94 121.20 118.05 1ab2 s ILE 106 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 60.65 60.66 1ab2 s ILE 106 Cb 0.00 -4.46 0.29 0.00 0.01 0.00 0.00 42.46 38.30 1ab2 s ILE 106 CO 0.00 -1.02 1.27 0.00 0.00 0.00 0.00 174.94 175.19 1ab2 n HIS 107 N 7.04 2.76 -1.62 3.97 1.44 -1.26 -5.04 115.22 122.51 1ab2 n HIS 107 Ca -0.01 -3.10 -0.29 0.00 -2.01 0.00 0.00 57.72 52.31 1ab2 n HIS 107 Cb 0.47 -1.01 0.11 0.00 0.12 0.00 0.00 29.99 29.68 1ab2 n HIS 107 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1ab2 s ARG 108 N -2.85 1.68 0.00 -1.40 0.52 -1.26 -5.35 118.95 110.29 1ab2 s ARG 108 Ca 0.35 0.39 0.00 0.00 -0.52 0.00 0.00 55.73 55.95 1ab2 s ARG 108 Cb 0.10 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.68 1ab2 s ARG 108 CO 0.05 -1.84 0.00 -3.47 0.02 0.00 0.00 175.30 170.05