#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab2 s SER 2 N 0.00 5.25 0.00 1.61 1.04 -1.26 0.88 113.70 121.22 1ab2 s SER 2 Ca 0.00 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.83 1ab2 s SER 2 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1ab2 s SER 2 CO 0.00 -2.38 0.00 0.61 0.98 0.00 0.00 173.24 172.45 1ab2 n GLY 3 N 5.71 3.90 0.28 7.32 0.00 -1.26 -4.88 105.19 116.26 1ab2 n GLY 3 Ca 0.21 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 2.08 -1.21 1.61 2.85 -1.08 -4.80 115.26 114.70 1ab2 n ASN 4 Ca 0.00 0.04 0.14 0.00 -0.11 0.00 0.00 54.58 54.66 1ab2 n ASN 4 Cb 0.00 -0.33 -0.05 0.00 1.24 0.00 0.00 39.78 40.64 1ab2 n ASN 4 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1ab2 n SER 5 N -3.27 -6.63 -4.56 1.20 3.41 0.25 -4.82 113.62 99.21 1ab2 n SER 5 Ca -0.28 0.73 -0.24 0.00 -0.26 0.00 0.00 58.87 58.82 1ab2 n SER 5 Cb 0.75 -3.87 -0.09 0.00 -0.26 0.00 0.00 64.21 60.74 1ab2 n SER 5 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ab2 s LEU 6 N -6.12 2.92 -1.14 1.04 1.02 -1.26 -4.61 118.68 110.53 1ab2 s LEU 6 Ca 0.00 -0.75 -0.14 0.00 0.02 0.00 0.00 54.13 53.26 1ab2 s LEU 6 Cb 0.00 -1.50 -0.07 0.00 0.02 0.00 0.00 46.19 44.65 1ab2 s LEU 6 CO 0.00 0.05 2.22 -0.62 0.02 0.00 0.00 176.35 178.01 1ab2 n GLU 7 N -0.50 2.38 0.00 1.70 -0.58 -1.26 -4.72 120.64 117.66 1ab2 n GLU 7 Ca -0.08 -2.05 0.00 0.00 -0.42 0.00 0.00 57.16 54.61 1ab2 n GLU 7 Cb 0.58 -2.92 0.00 0.00 -0.57 0.00 0.00 31.44 28.53 1ab2 n GLU 7 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1ab2 n LYS 8 N 5.63 0.00 -1.65 3.49 0.00 -1.25 -4.91 118.16 119.46 1ab2 n LYS 8 Ca 0.54 0.00 -0.21 0.00 0.00 0.00 0.00 58.31 58.64 1ab2 n LYS 8 Cb 0.32 0.00 0.13 0.00 0.00 0.00 0.00 35.03 35.48 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 -3.68 2.00 5.64 8.25 -1.26 -4.91 115.22 121.25 1ab2 n HIS 9 Ca 0.00 -1.04 0.04 0.00 -0.26 0.00 0.00 57.72 56.47 1ab2 n HIS 9 Cb 0.00 -0.70 0.25 0.00 1.12 0.00 0.00 29.99 30.66 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 -3.41 0.00 0.00 0.41 2.88 -1.26 -2.19 113.62 110.05 1ab2 n SER 10 Ca 0.13 -1.73 0.00 0.00 -1.33 0.00 0.00 58.87 55.93 1ab2 n SER 10 Cb 0.44 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 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 -0.63 0.00 -3.76 0.66 4.27 -1.26 -4.57 117.44 112.15 1ab2 n TRP 11 Ca 0.06 -0.32 -0.36 0.00 -3.89 0.00 0.00 57.50 52.99 1ab2 n TRP 11 Cb 0.03 -0.03 -0.11 0.00 -1.36 0.00 0.00 31.31 29.84 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 -0.64 3.48 -0.11 -2.67 5.04 -0.93 -2.88 117.35 118.64 1ab2 s TYR 12 Ca 0.00 -2.61 -0.13 0.00 -2.44 0.00 0.00 57.07 51.88 1ab2 s TYR 12 Cb 0.00 -3.19 -0.05 0.00 0.35 0.00 0.00 41.96 39.07 1ab2 s TYR 12 CO 0.00 -0.89 -0.26 -2.39 -1.34 0.00 0.00 175.55 170.67 1ab2 n HIS 13 N 3.95 0.00 -3.28 4.97 1.44 -1.26 -3.85 115.22 117.19 1ab2 n HIS 13 Ca 0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 1ab2 n HIS 13 Cb 0.39 -0.38 0.00 0.00 0.12 0.00 0.00 29.99 30.12 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 1.99 -0.95 3.71 -1.39 0.00 -1.26 -4.72 105.19 102.57 1ab2 n GLY 14 Ca -0.11 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.56 4.45 -0.17 1.61 0.04 -1.26 -4.45 135.00 134.66 1ab2 s PRO 15 Ca 0.00 1.71 -0.04 0.00 0.04 0.00 0.00 61.00 62.71 1ab2 s PRO 15 Cb 0.00 -3.37 0.08 0.00 0.04 0.00 0.00 34.50 31.25 1ab2 s PRO 15 CO 0.00 -0.23 0.23 0.54 0.04 0.00 0.00 177.00 177.58 1ab2 s VAL 16 N 1.09 -0.35 0.44 -0.36 0.11 -1.26 -4.88 120.40 115.19 1ab2 s VAL 16 Ca 0.58 0.05 -0.25 0.00 -2.93 0.00 0.00 61.98 59.43 1ab2 s VAL 16 Cb -0.28 -0.57 -0.08 0.00 -1.53 0.00 0.00 36.38 33.92 1ab2 s VAL 16 CO 0.29 -0.07 1.36 -0.44 -3.33 0.00 0.00 175.10 172.90 1ab2 s SER 17 N 2.35 6.00 0.15 3.54 0.01 -1.26 -4.55 113.70 119.94 1ab2 s SER 17 Ca 0.05 2.76 -0.17 0.00 1.31 0.00 0.00 55.95 59.90 1ab2 s SER 17 Cb -0.14 -2.64 0.05 0.00 0.21 0.00 0.00 66.02 63.49 1ab2 s SER 17 CO -0.10 -1.07 1.73 0.08 0.41 0.00 0.00 173.24 174.28 1ab2 h ARG 18 N 2.36 0.15 -0.57 12.44 0.11 -1.97 0.78 114.38 127.68 1ab2 h ARG 18 Ca -0.50 -0.01 0.06 0.00 0.10 0.00 0.00 59.98 59.63 1ab2 h ARG 18 Cb 1.26 -0.03 -0.09 0.00 1.11 0.00 0.00 29.97 32.21 1ab2 h ARG 18 CO 0.61 0.10 -0.55 -2.95 0.10 0.00 0.00 179.97 177.28 1ab2 h ASN 19 N 0.16 -1.90 0.06 0.08 7.08 -1.98 1.41 115.58 120.50 1ab2 h ASN 19 Ca 0.15 0.27 -0.01 0.00 -3.08 0.00 0.00 56.30 53.63 1ab2 h ASN 19 Cb 0.18 0.80 -0.00 0.00 -2.08 0.00 0.00 38.32 37.22 1ab2 h ASN 19 CO -0.21 -0.36 -0.04 0.00 -2.08 0.00 0.00 177.43 174.74 1ab2 h ALA 20 N 0.17 1.72 0.21 4.14 0.00 -1.84 0.90 119.26 124.55 1ab2 h ALA 20 Ca 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ab2 h ALA 20 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ab2 h ALA 20 CO -0.69 0.05 -0.10 0.00 0.00 0.00 0.00 179.25 178.51 1ab2 h ALA 21 N 1.96 -0.78 -0.17 0.00 0.00 0.40 2.12 119.26 122.78 1ab2 h ALA 21 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1ab2 h ALA 21 Cb 0.09 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ab2 h ALA 21 CO 0.01 -0.76 0.01 1.05 0.00 0.00 0.00 179.25 179.56 1ab2 h GLU 22 N -0.37 0.24 0.04 0.00 4.11 0.70 0.15 114.58 119.45 1ab2 h GLU 22 Ca -0.03 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.37 1ab2 h GLU 22 Cb 0.22 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1ab2 h GLU 22 CO 0.05 0.26 -0.02 -0.92 0.07 0.00 0.00 179.01 178.45 1ab2 h TYR 23 N 0.24 -0.05 0.00 2.06 5.03 0.82 -3.41 116.97 121.67 1ab2 h TYR 23 Ca 0.06 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1ab2 h TYR 23 Cb 0.15 0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.45 1ab2 h TYR 23 CO 0.00 -0.03 0.00 -0.11 -1.32 0.00 0.00 178.16 176.70 1ab2 n LEU 24 N -2.82 0.00 -4.54 2.82 0.00 0.71 -4.31 117.00 108.86 1ab2 n LEU 24 Ca -0.01 0.95 -0.42 0.00 0.00 0.00 0.00 56.01 56.53 1ab2 n LEU 24 Cb 0.02 -0.45 -0.05 0.00 0.00 0.00 0.00 43.42 42.94 1ab2 n LEU 24 CO 0.01 -0.45 1.92 -0.11 0.00 0.00 0.00 177.39 178.77 1ab2 n LEU 25 N -2.06 2.53 0.07 -1.96 7.94 0.51 -4.76 117.00 119.27 1ab2 n LEU 25 Ca 0.00 0.01 0.10 0.00 -1.11 0.00 0.00 56.01 55.02 1ab2 n LEU 25 Cb 0.00 -1.46 0.42 0.00 0.53 0.00 0.00 43.42 42.91 1ab2 n LEU 25 CO 0.00 -0.99 0.82 -0.24 -1.11 0.00 0.00 177.39 175.87 1ab2 n SER 26 N 12.60 0.36 -1.93 1.96 2.88 -1.26 -4.48 113.62 123.75 1ab2 n SER 26 Ca 0.37 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1ab2 n SER 26 Cb 0.41 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 1ab2 n SER 26 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ab2 n SER 27 N -1.88 -8.78 0.00 -3.46 7.64 -1.26 -4.60 113.62 101.27 1ab2 n SER 27 Ca 0.03 1.31 0.00 0.00 1.01 0.00 0.00 58.87 61.22 1ab2 n SER 27 Cb 0.23 -4.85 0.00 0.00 -1.01 0.00 0.00 64.21 58.58 1ab2 n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ab2 n GLY 28 N 1.43 -1.99 1.70 0.23 0.00 -1.23 -3.54 105.19 101.79 1ab2 n GLY 28 Ca 0.00 0.95 -0.06 0.00 0.00 0.00 0.00 46.02 46.91 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 0.00 0.00 0.71 -0.61 -5.35 -1.25 -5.00 119.36 107.86 1ab2 n ILE 29 Ca 0.00 -0.72 0.13 0.00 -0.27 0.00 0.00 62.75 61.88 1ab2 n ILE 29 Cb 0.00 0.51 0.48 0.00 -1.74 0.00 0.00 39.64 38.90 1ab2 n ILE 29 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1ab2 n ASN 30 N -1.65 0.41 0.00 7.28 5.15 -1.26 -4.10 115.26 121.09 1ab2 n ASN 30 Ca -0.01 0.55 0.00 0.00 -0.60 0.00 0.00 54.58 54.52 1ab2 n ASN 30 Cb 0.29 -0.66 0.00 0.00 -0.53 0.00 0.00 39.78 38.88 1ab2 n ASN 30 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ab2 n GLY 31 N 1.04 2.77 2.81 8.20 0.00 -1.26 -4.92 105.19 113.82 1ab2 n GLY 31 Ca 0.05 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 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 0.58 0.28 1.61 1.04 -0.99 -2.62 113.70 113.60 1ab2 s SER 32 Ca 0.00 -0.03 0.07 0.00 0.48 0.00 0.00 55.95 56.47 1ab2 s SER 32 Cb 0.00 -0.24 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 1ab2 s SER 32 CO 0.00 -0.12 0.26 -0.36 0.98 0.00 0.00 173.24 174.00 1ab2 s PHE 33 N 1.18 3.09 -0.17 5.02 0.40 -1.26 -1.95 117.98 124.28 1ab2 s PHE 33 Ca -0.08 -0.16 -0.13 0.00 -0.60 0.00 0.00 56.93 55.96 1ab2 s PHE 33 Cb -0.13 -1.56 0.05 0.00 0.51 0.00 0.00 43.02 41.88 1ab2 s PHE 33 CO -0.02 0.39 0.44 -0.48 0.70 0.00 0.00 175.22 176.24 1ab2 s LEU 34 N -3.92 0.13 0.31 -0.37 -0.00 0.51 -4.47 118.68 110.87 1ab2 s LEU 34 Ca 0.36 0.91 -0.20 0.00 -0.00 0.00 0.00 54.13 55.20 1ab2 s LEU 34 Cb -0.07 1.48 -0.09 0.00 -0.00 0.00 0.00 46.19 47.50 1ab2 s LEU 34 CO 0.26 -0.17 0.81 -0.69 -0.00 0.00 0.00 176.35 176.57 1ab2 s VAL 35 N 0.71 4.49 0.42 1.48 1.01 -1.14 -0.75 120.40 126.62 1ab2 s VAL 35 Ca -0.04 1.35 0.07 0.00 0.00 0.00 0.00 61.98 63.36 1ab2 s VAL 35 Cb -0.05 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 1ab2 s VAL 35 CO -0.05 -0.00 0.13 -0.13 0.00 0.00 0.00 175.10 175.04 1ab2 s ARG 36 N -2.47 2.14 0.00 2.72 0.52 0.06 -4.72 118.95 117.20 1ab2 s ARG 36 Ca 0.51 -1.96 0.00 0.00 -0.52 0.00 0.00 55.73 53.76 1ab2 s ARG 36 Cb -0.14 -1.86 0.00 0.00 0.52 0.00 0.00 34.95 33.47 1ab2 s ARG 36 CO 0.19 -0.13 0.00 0.39 0.02 0.00 0.00 175.30 175.78 1ab2 n GLU 37 N -1.17 2.26 -1.50 3.54 -0.58 -1.26 -2.37 120.64 119.57 1ab2 n GLU 37 Ca -0.03 0.00 -0.57 0.00 -0.42 0.00 0.00 57.16 56.14 1ab2 n GLU 37 Cb 0.65 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.45 1ab2 n GLU 37 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1ab2 n SER 38 N -0.82 -0.02 0.00 1.62 2.88 0.81 -4.53 113.62 113.56 1ab2 n SER 38 Ca 0.00 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1ab2 n SER 38 Cb 0.00 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 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 1.51 0.00 0.00 -1.46 2.13 -1.26 -4.82 120.64 116.74 1ab2 n GLU 39 Ca 0.20 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.02 1ab2 n GLU 39 Cb 0.11 -0.39 0.00 0.00 0.27 0.00 0.00 31.44 31.43 1ab2 n GLU 39 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1ab2 n SER 40 N -2.74 0.71 -4.21 4.31 2.88 -1.26 -5.06 113.62 108.25 1ab2 n SER 40 Ca 0.00 -1.29 -0.21 0.00 -1.33 0.00 0.00 58.87 56.03 1ab2 n SER 40 Cb 0.32 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.66 1ab2 n SER 40 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ab2 s SER 41 N -0.29 2.05 -0.85 -3.46 0.01 -1.26 -5.03 113.70 104.86 1ab2 s SER 41 Ca 0.00 -0.60 -0.07 0.00 1.31 0.00 0.00 55.95 56.60 1ab2 s SER 41 Cb 0.00 -0.11 -0.11 0.00 0.21 0.00 0.00 66.02 66.01 1ab2 s SER 41 CO 0.00 0.02 2.58 -0.81 0.41 0.00 0.00 173.24 175.44 1ab2 n PRO 42 N 1.41 2.39 0.00 12.44 -0.04 -1.26 -3.91 135.00 146.03 1ab2 n PRO 42 Ca -0.20 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 61.80 1ab2 n PRO 42 Cb 0.54 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 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 3.37 0.70 3.09 0.55 0.00 -1.26 -5.12 105.19 106.52 1ab2 n GLY 43 Ca 0.51 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 1ab2 n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ab2 s GLN 44 N 0.00 0.60 -0.05 1.61 -0.21 -1.25 -4.94 119.66 115.43 1ab2 s GLN 44 Ca 0.00 -0.92 0.03 0.00 0.02 0.00 0.00 55.36 54.49 1ab2 s GLN 44 Cb 0.00 -0.23 0.01 0.00 1.00 0.00 0.00 33.01 33.79 1ab2 s GLN 44 CO 0.00 0.02 -0.12 1.03 -2.12 0.00 0.00 175.29 174.10 1ab2 s ARG 45 N -2.26 1.45 0.40 2.91 3.00 -1.26 0.28 118.95 123.47 1ab2 s ARG 45 Ca -0.04 -0.41 0.04 0.00 0.00 0.00 0.00 55.73 55.32 1ab2 s ARG 45 Cb -0.05 -1.26 -0.03 0.00 0.00 0.00 0.00 34.95 33.61 1ab2 s ARG 45 CO -0.01 0.10 0.10 -1.12 0.00 0.00 0.00 175.30 174.37 1ab2 s SER 46 N 0.39 2.79 -0.10 0.23 0.01 -1.00 -2.29 113.70 113.73 1ab2 s SER 46 Ca -0.08 -1.61 0.02 0.00 1.31 0.00 0.00 55.95 55.58 1ab2 s SER 46 Cb -0.13 0.39 0.01 0.00 0.21 0.00 0.00 66.02 66.50 1ab2 s SER 46 CO 0.02 -0.86 -0.16 -0.63 0.41 0.00 0.00 173.24 172.03 1ab2 s ILE 47 N -3.21 1.49 -0.09 1.44 -1.09 -0.62 -0.76 121.20 118.36 1ab2 s ILE 47 Ca 0.25 -0.66 0.02 0.00 -2.23 0.00 0.00 60.65 58.03 1ab2 s ILE 47 Cb 0.04 -1.35 -0.02 0.00 -1.58 0.00 0.00 42.46 39.54 1ab2 s ILE 47 CO 0.14 0.44 -0.15 -0.94 -1.23 0.00 0.00 174.94 173.20 1ab2 s SER 48 N 0.84 3.94 -0.04 3.58 1.04 0.07 -0.03 113.70 123.10 1ab2 s SER 48 Ca -0.10 -0.28 0.07 0.00 0.48 0.00 0.00 55.95 56.12 1ab2 s SER 48 Cb -0.15 -1.20 -0.01 0.00 0.10 0.00 0.00 66.02 64.75 1ab2 s SER 48 CO 0.01 0.25 -0.25 -0.76 0.98 0.00 0.00 173.24 173.47 1ab2 s LEU 49 N -0.18 2.06 -0.20 2.42 2.01 -0.79 -0.36 118.68 123.63 1ab2 s LEU 49 Ca -0.00 -0.49 0.00 0.00 0.01 0.00 0.00 54.13 53.65 1ab2 s LEU 49 Cb -0.13 -1.33 0.02 0.00 0.01 0.00 0.00 46.19 44.75 1ab2 s LEU 49 CO 0.03 0.26 -0.16 -0.60 1.01 0.00 0.00 176.35 176.89 1ab2 s ARG 50 N -0.30 2.99 0.00 1.70 3.52 -0.82 -0.61 118.95 125.43 1ab2 s ARG 50 Ca 0.01 -0.84 0.00 0.00 -0.13 0.00 0.00 55.73 54.77 1ab2 s ARG 50 Cb -0.12 -2.68 0.00 0.00 -1.56 0.00 0.00 34.95 30.59 1ab2 s ARG 50 CO 0.02 -0.24 0.00 0.66 -0.81 0.00 0.00 175.30 174.93 1ab2 n TYR 51 N 4.64 0.00 0.68 5.12 4.01 0.22 -2.34 117.16 129.49 1ab2 n TYR 51 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1ab2 n TYR 51 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 1ab2 n TYR 51 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1ab2 n GLU 52 N 0.00 0.68 0.00 -0.72 1.02 -1.26 -3.51 120.64 116.85 1ab2 n GLU 52 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ab2 n GLU 52 Cb 0.00 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 1ab2 n GLU 52 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ab2 n GLY 53 N 0.27 0.53 3.91 0.62 0.00 -1.23 -4.42 105.19 104.86 1ab2 n GLY 53 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 3.61 -0.14 1.61 0.52 -1.26 -4.56 118.95 118.72 1ab2 s ARG 54 Ca 0.00 0.08 -0.03 0.00 -0.52 0.00 0.00 55.73 55.27 1ab2 s ARG 54 Cb 0.00 -2.53 0.05 0.00 0.52 0.00 0.00 34.95 32.99 1ab2 s ARG 54 CO 0.00 0.04 0.03 0.08 0.02 0.00 0.00 175.30 175.47 1ab2 s VAL 55 N -2.36 0.35 0.19 3.52 1.01 -1.26 0.69 120.40 122.55 1ab2 s VAL 55 Ca 0.45 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.22 1ab2 s VAL 55 Cb -0.10 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1ab2 s VAL 55 CO 0.35 -0.06 0.34 -0.31 0.00 0.00 0.00 175.10 175.43 1ab2 s TYR 56 N 1.95 3.48 -0.21 5.22 1.51 0.21 -4.96 117.35 124.56 1ab2 s TYR 56 Ca 0.02 0.16 0.01 0.00 -1.01 0.00 0.00 57.07 56.25 1ab2 s TYR 56 Cb -0.15 -1.71 0.05 0.00 -0.11 0.00 0.00 41.96 40.04 1ab2 s TYR 56 CO -0.07 0.44 -0.08 -1.01 -1.11 0.00 0.00 175.55 173.72 1ab2 s HIS 57 N -1.86 2.33 -0.49 2.71 3.76 -1.26 -1.89 115.29 118.59 1ab2 s HIS 57 Ca 0.36 -1.61 0.03 0.00 -0.15 0.00 0.00 55.06 53.69 1ab2 s HIS 57 Cb -0.11 -1.58 0.15 0.00 1.11 0.00 0.00 32.58 32.15 1ab2 s HIS 57 CO 0.29 -0.74 0.30 0.71 -0.85 0.00 0.00 174.74 174.45 1ab2 s TYR 58 N 1.42 2.17 1.00 1.40 2.02 0.95 -5.01 117.35 121.30 1ab2 s TYR 58 Ca -0.03 -2.60 -0.21 0.00 -0.37 0.00 0.00 57.07 53.87 1ab2 s TYR 58 Cb -0.17 -1.91 -0.13 0.00 -0.40 0.00 0.00 41.96 39.34 1ab2 s TYR 58 CO -0.07 -0.75 -0.91 2.89 -1.57 0.00 0.00 175.55 175.15 1ab2 n ARG 59 N 3.14 -0.14 -0.06 -0.62 1.85 -1.26 -1.59 116.66 117.98 1ab2 n ARG 59 Ca 0.14 -0.04 -0.12 0.00 -1.00 0.00 0.00 57.85 56.83 1ab2 n ARG 59 Cb 0.37 -1.13 -0.06 0.00 -1.05 0.00 0.00 32.46 30.59 1ab2 n ARG 59 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 1ab2 h ILE 60 N -1.13 1.27 -2.20 8.89 1.08 -1.72 -3.39 117.51 120.31 1ab2 h ILE 60 Ca -0.43 -0.92 0.00 0.00 -0.39 0.00 0.00 64.86 63.12 1ab2 h ILE 60 Cb 1.34 1.52 0.00 0.00 -3.07 0.00 0.00 36.82 36.61 1ab2 h ILE 60 CO 0.24 0.28 -0.42 -3.20 -0.69 0.00 0.00 178.15 174.36 1ab2 n ASN 61 N -4.69 -5.15 -4.72 1.72 2.85 -1.26 -3.43 115.26 100.57 1ab2 n ASN 61 Ca -0.05 0.60 -0.24 0.00 -0.11 0.00 0.00 54.58 54.78 1ab2 n ASN 61 Cb 0.24 -2.32 -0.06 0.00 1.24 0.00 0.00 39.78 38.88 1ab2 n ASN 61 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1ab2 s THR 62 N -0.72 3.94 0.01 -0.44 2.01 -1.26 -0.61 115.64 118.56 1ab2 s THR 62 Ca 0.00 -1.56 -0.00 0.00 0.31 0.00 0.00 61.69 60.44 1ab2 s THR 62 Cb 0.00 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.43 1ab2 s THR 62 CO 0.00 -0.28 0.01 0.00 -0.69 0.00 0.00 174.62 173.65 1ab2 n ALA 63 N -0.77 -0.00 -0.56 7.40 0.00 0.96 -4.68 120.51 122.86 1ab2 n ALA 63 Ca -0.08 -0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.19 1ab2 n ALA 63 Cb 0.57 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.10 1ab2 n ALA 63 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ab2 n SER 64 N -3.00 4.82 0.10 0.00 3.41 -1.26 -4.13 113.62 113.55 1ab2 n SER 64 Ca 0.00 -3.03 0.00 0.00 -0.26 0.00 0.00 58.87 55.58 1ab2 n SER 64 Cb 0.00 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 1ab2 n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ab2 n ASP 65 N -0.19 -1.14 0.00 4.04 2.03 -1.26 -5.06 116.55 114.97 1ab2 n ASP 65 Ca 0.35 0.36 0.00 0.00 0.52 0.00 0.00 54.79 56.02 1ab2 n ASP 65 Cb 0.92 1.24 0.00 0.00 -0.72 0.00 0.00 41.12 42.56 1ab2 n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ab2 n GLY 66 N 0.02 0.91 3.28 0.27 0.00 -1.26 -5.14 105.19 103.27 1ab2 n GLY 66 Ca 0.00 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 0.13 -3.49 1.61 0.00 -1.26 -4.41 118.16 110.74 1ab2 n LYS 67 Ca 0.00 0.06 -0.42 0.00 -0.00 0.00 0.00 58.31 57.94 1ab2 n LYS 67 Cb 0.00 -1.27 -0.08 0.00 -0.00 0.00 0.00 35.03 33.68 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 3.86 5.58 -0.19 -5.58 1.43 0.60 -0.03 118.68 124.35 1ab2 s LEU 68 Ca 0.57 -1.60 -0.02 0.00 -1.03 0.00 0.00 54.13 52.05 1ab2 s LEU 68 Cb -0.41 -2.08 -0.00 0.00 0.03 0.00 0.00 46.19 43.73 1ab2 s LEU 68 CO 0.66 -0.66 -0.11 -0.72 0.23 0.00 0.00 176.35 175.75 1ab2 s TYR 69 N 1.49 2.88 -0.05 0.29 -0.85 0.22 -0.88 117.35 120.45 1ab2 s TYR 69 Ca 0.04 -1.12 -0.24 0.00 -0.52 0.00 0.00 57.07 55.23 1ab2 s TYR 69 Cb -0.25 -2.01 -0.25 0.00 0.38 0.00 0.00 41.96 39.83 1ab2 s TYR 69 CO 0.03 -0.58 0.99 0.28 -1.52 0.00 0.00 175.55 174.75 1ab2 h VAL 70 N 5.74 1.55 0.00 -3.49 2.07 -1.73 -3.37 116.25 117.01 1ab2 h VAL 70 Ca -0.40 -2.10 0.00 0.00 0.82 0.00 0.00 66.70 65.01 1ab2 h VAL 70 Cb 1.16 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.80 1ab2 h VAL 70 CO 0.61 0.58 -0.11 -0.24 0.02 0.00 0.00 177.57 178.43 1ab2 n SER 71 N -4.41 0.28 0.00 0.57 2.88 -1.26 -4.93 113.62 106.75 1ab2 n SER 71 Ca -0.10 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1ab2 n SER 71 Cb 0.58 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 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 -2.69 0.00 -0.44 -3.46 7.64 -1.26 -4.94 113.62 108.47 1ab2 n SER 72 Ca -0.02 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.98 1ab2 n SER 72 Cb 0.06 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.39 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 1.16 -3.24 1.43 0.28 -1.26 -4.45 120.64 114.57 1ab2 n GLU 73 Ca 0.00 -0.89 -0.24 0.00 -0.16 0.00 0.00 57.16 55.87 1ab2 n GLU 73 Cb 0.00 -1.48 -0.06 0.00 1.43 0.00 0.00 31.44 31.32 1ab2 n GLU 73 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1ab2 n SER 74 N -0.14 1.93 -4.79 -1.84 2.88 -1.26 -5.10 113.62 105.29 1ab2 n SER 74 Ca 0.11 -3.10 -0.36 0.00 -1.33 0.00 0.00 58.87 54.19 1ab2 n SER 74 Cb 0.43 -0.64 -0.06 0.00 -0.75 0.00 0.00 64.21 63.19 1ab2 n SER 74 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1ab2 s ARG 75 N -2.04 4.47 0.00 -1.46 0.52 -1.26 -4.25 118.95 114.93 1ab2 s ARG 75 Ca 0.39 1.20 0.00 0.00 -0.52 0.00 0.00 55.73 56.80 1ab2 s ARG 75 Cb 0.20 -2.74 0.00 0.00 0.52 0.00 0.00 34.95 32.93 1ab2 s ARG 75 CO -0.08 0.27 0.00 1.19 0.02 0.00 0.00 175.30 176.70 1ab2 n PHE 76 N 0.44 0.00 0.00 -0.53 3.72 -0.06 -4.88 117.46 116.15 1ab2 n PHE 76 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1ab2 n PHE 76 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 1ab2 n PHE 76 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1ab2 n ASN 77 N -1.32 0.73 -4.61 4.37 4.13 -1.26 0.22 115.26 117.51 1ab2 n ASN 77 Ca 0.00 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.93 1ab2 n ASN 77 Cb 0.00 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.14 1ab2 n ASN 77 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1ab2 s THR 78 N -1.46 3.79 0.22 3.41 -1.32 -1.26 -4.66 115.64 114.36 1ab2 s THR 78 Ca 0.00 -0.61 -0.14 0.00 -1.21 0.00 0.00 61.69 59.74 1ab2 s THR 78 Cb 0.00 -2.62 0.26 0.00 -1.51 0.00 0.00 72.50 68.64 1ab2 s THR 78 CO 0.00 0.48 1.60 0.25 -2.21 0.00 0.00 174.62 174.74 1ab2 h LEU 79 N 4.79 -0.79 -0.25 9.08 7.12 -1.98 -0.97 115.31 132.32 1ab2 h LEU 79 Ca -0.49 0.22 0.02 0.00 0.13 0.00 0.00 57.88 57.77 1ab2 h LEU 79 Cb 1.17 0.48 -0.04 0.00 -0.53 0.00 0.00 40.66 41.75 1ab2 h LEU 79 CO 0.54 -0.26 -0.21 0.00 -0.13 0.00 0.00 178.44 178.39 1ab2 h ALA 80 N 1.59 -0.34 -1.20 1.25 0.00 -1.99 1.40 119.26 119.97 1ab2 h ALA 80 Ca 0.33 0.02 0.35 0.00 0.00 0.00 0.00 54.91 55.61 1ab2 h ALA 80 Cb 0.54 1.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.28 1ab2 h ALA 80 CO -0.75 -0.46 1.09 0.93 0.00 0.00 0.00 179.25 180.06 1ab2 h GLU 81 N -0.07 0.00 0.13 0.00 3.07 -1.61 1.08 114.58 117.18 1ab2 h GLU 81 Ca 0.04 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.90 1ab2 h GLU 81 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1ab2 h GLU 81 CO -0.28 0.00 -0.06 1.25 -1.40 0.00 0.00 179.01 178.52 1ab2 h LEU 82 N 0.00 -0.15 -0.49 1.33 5.85 0.24 -2.82 115.31 119.27 1ab2 h LEU 82 Ca 0.57 -0.38 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 1ab2 h LEU 82 Cb 2.74 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 43.79 1ab2 h LEU 82 CO -0.01 0.35 -0.02 0.58 -0.34 0.00 0.00 178.44 179.00 1ab2 h VAL 83 N -0.70 1.26 -0.63 1.05 2.07 0.23 0.17 116.25 119.70 1ab2 h VAL 83 Ca -0.02 -1.10 0.09 0.00 0.82 0.00 0.00 66.70 66.49 1ab2 h VAL 83 Cb 0.52 1.01 -0.11 0.00 -1.52 0.00 0.00 31.29 31.18 1ab2 h VAL 83 CO 0.03 0.38 -0.43 -0.74 0.02 0.00 0.00 177.57 176.83 1ab2 h HIS 84 N 0.73 -1.27 -0.20 1.57 2.76 0.17 2.33 115.15 121.24 1ab2 h HIS 84 Ca 0.14 0.09 -0.12 0.00 -2.20 0.00 0.00 60.37 58.27 1ab2 h HIS 84 Cb 0.54 0.64 0.00 0.00 1.55 0.00 0.00 27.41 30.14 1ab2 h HIS 84 CO 0.04 -0.42 -0.35 1.25 -1.30 0.00 0.00 177.93 177.16 1ab2 h HIS 85 N -0.19 0.73 0.00 5.26 6.17 -1.41 -2.54 115.15 123.17 1ab2 h HIS 85 Ca 0.20 -0.26 0.00 0.00 0.71 0.00 0.00 60.37 61.02 1ab2 h HIS 85 Cb 0.56 -0.14 0.00 0.00 2.52 0.00 0.00 27.41 30.35 1ab2 h HIS 85 CO -0.73 0.99 0.00 0.72 0.71 0.00 0.00 177.93 179.62 1ab2 n HIS 86 N -4.30 0.00 -0.01 5.26 -0.00 0.58 0.03 115.22 116.78 1ab2 n HIS 86 Ca -0.06 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.49 1ab2 n HIS 86 Cb 0.50 -0.02 -0.14 0.00 -0.00 0.00 0.00 29.99 30.34 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 -0.36 1.71 -0.00 0.41 2.88 0.77 -2.48 113.62 116.55 1ab2 n SER 87 Ca 0.00 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1ab2 n SER 87 Cb 0.04 -0.57 -0.00 0.00 -0.75 0.00 0.00 64.21 62.92 1ab2 n SER 87 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1ab2 n THR 88 N -3.33 0.01 -3.51 2.46 -1.04 -1.05 -4.62 114.28 103.20 1ab2 n THR 88 Ca -0.28 -0.01 -0.28 0.00 -2.04 0.00 0.00 64.05 61.44 1ab2 n THR 88 Cb 1.05 -0.13 -0.11 0.00 -1.82 0.00 0.00 70.33 69.31 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 -2.01 0.67 -1.15 12.58 1.01 0.10 -5.02 120.40 126.59 1ab2 s VAL 89 Ca -0.00 -2.48 -0.12 0.00 0.00 0.00 0.00 61.98 59.38 1ab2 s VAL 89 Cb 0.00 -1.47 -0.07 0.00 0.00 0.00 0.00 36.38 34.84 1ab2 s VAL 89 CO 0.01 -1.08 2.28 0.00 0.00 0.00 0.00 175.10 176.30 1ab2 n ALA 90 N 3.26 5.16 0.42 5.51 0.00 -1.25 -3.71 120.51 129.91 1ab2 n ALA 90 Ca 0.20 -3.04 0.08 0.00 0.00 0.00 0.00 53.44 50.68 1ab2 n ALA 90 Cb 0.41 -3.35 0.36 0.00 0.00 0.00 0.00 19.45 16.87 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 5.26 0.25 0.00 0.00 -0.08 -1.26 -4.07 116.55 116.65 1ab2 n ASP 91 Ca 0.55 0.57 0.00 0.00 -1.51 0.00 0.00 54.79 54.39 1ab2 n ASP 91 Cb 0.27 -0.62 0.00 0.00 2.34 0.00 0.00 41.12 43.12 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 -0.13 -0.11 3.72 0.27 0.00 -1.26 -4.45 105.19 103.23 1ab2 n GLY 92 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -4.06 4.39 0.00 0.99 1.43 -1.26 -4.80 118.68 115.37 1ab2 s LEU 93 Ca 0.00 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.43 1ab2 s LEU 93 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1ab2 s LEU 93 CO 0.00 -0.59 0.26 0.00 0.23 0.00 0.00 176.35 176.25 1ab2 n ILE 94 N 3.42 0.00 -1.19 -0.59 3.06 -1.26 -4.57 119.36 118.23 1ab2 n ILE 94 Ca 0.09 0.76 -0.34 0.00 -2.50 0.00 0.00 62.75 60.77 1ab2 n ILE 94 Cb 0.43 -1.37 0.12 0.00 0.54 0.00 0.00 39.64 39.35 1ab2 n ILE 94 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1ab2 s THR 95 N -0.53 2.02 -0.34 9.51 -1.32 -1.26 -4.83 115.64 118.89 1ab2 s THR 95 Ca 0.00 0.01 -0.15 0.00 -1.21 0.00 0.00 61.69 60.34 1ab2 s THR 95 Cb 0.00 -2.49 -0.01 0.00 -1.51 0.00 0.00 72.50 68.49 1ab2 s THR 95 CO 0.00 -0.01 0.35 0.42 -2.21 0.00 0.00 174.62 173.18 1ab2 s THR 96 N -2.04 5.18 -0.42 5.08 -4.23 -1.26 -4.87 115.64 113.07 1ab2 s THR 96 Ca 0.75 0.03 -0.40 0.00 -1.18 0.00 0.00 61.69 60.88 1ab2 s THR 96 Cb -0.30 -3.82 -0.17 0.00 1.34 0.00 0.00 72.50 69.55 1ab2 s THR 96 CO 0.49 -0.09 1.36 0.18 -0.54 0.00 0.00 174.62 176.03 1ab2 n LEU 97 N 5.36 1.02 0.00 4.79 4.32 -1.04 -4.86 117.00 126.60 1ab2 n LEU 97 Ca -0.09 1.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.90 1ab2 n LEU 97 Cb 0.49 -0.75 0.00 0.00 -1.62 0.00 0.00 43.42 41.55 1ab2 n LEU 97 CO 0.40 -0.71 0.00 1.57 -1.22 0.00 0.00 177.39 177.43 1ab2 n HIS 98 N 3.42 0.00 -3.36 -1.77 -0.00 -1.26 -4.76 115.22 107.49 1ab2 n HIS 98 Ca 0.27 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.34 1ab2 n HIS 98 Cb -0.05 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 29.74 1ab2 n HIS 98 CO 0.00 0.00 0.00 1.52 0.46 0.00 0.00 176.34 178.32 1ab2 s TYR 99 N -0.05 -0.78 -0.97 1.57 1.13 -1.08 -5.05 117.35 112.12 1ab2 s TYR 99 Ca 0.00 0.64 -0.24 0.00 -1.41 0.00 0.00 57.07 56.07 1ab2 s TYR 99 Cb 0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 41.96 40.79 1ab2 s TYR 99 CO 0.00 -0.76 1.69 -1.25 -2.51 0.00 0.00 175.55 172.72 1ab2 s PRO 100 N 2.52 3.10 0.47 -3.49 0.04 -1.26 -4.23 135.00 132.14 1ab2 s PRO 100 Ca 0.12 -0.75 -0.21 0.00 0.04 0.00 0.00 61.00 60.20 1ab2 s PRO 100 Cb -0.15 -5.22 -0.11 0.00 0.04 0.00 0.00 34.50 29.06 1ab2 s PRO 100 CO -0.19 -2.78 0.56 0.00 0.04 0.00 0.00 177.00 174.63 1ab2 n ALA 101 N 11.32 -1.29 -1.77 8.56 0.00 -1.26 -4.59 120.51 131.48 1ab2 n ALA 101 Ca 0.37 0.10 -0.38 0.00 0.00 0.00 0.00 53.44 53.53 1ab2 n ALA 101 Cb 0.49 -1.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.09 1ab2 n ALA 101 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ab2 s PRO 102 N -1.76 4.38 -0.42 0.00 0.04 -1.26 -4.94 135.00 131.04 1ab2 s PRO 102 Ca 0.65 1.63 0.09 0.00 0.04 0.00 0.00 61.00 63.41 1ab2 s PRO 102 Cb -0.54 -2.83 0.42 0.00 0.04 0.00 0.00 34.50 31.58 1ab2 s PRO 102 CO 0.57 0.02 1.03 0.36 0.04 0.00 0.00 177.00 179.03 1ab2 n LYS 103 N 0.50 2.68 -0.07 4.56 -0.00 -1.26 -4.83 118.16 119.74 1ab2 n LYS 103 Ca 0.02 -4.16 -0.13 0.00 -0.00 0.00 0.00 58.31 54.05 1ab2 n LYS 103 Cb 0.47 -1.95 -0.10 0.00 -0.00 0.00 0.00 35.03 33.45 1ab2 n LYS 103 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.40 177.47 1ab2 h ARG 104 N 2.75 0.00 -3.08 -1.58 0.11 -2.03 -3.40 114.38 107.15 1ab2 h ARG 104 Ca 0.17 0.00 -0.70 0.00 0.10 0.00 0.00 59.98 59.54 1ab2 h ARG 104 Cb 0.95 0.00 -0.36 0.00 1.11 0.00 0.00 29.97 31.67 1ab2 h ARG 104 CO 0.74 0.81 -0.05 0.41 0.10 0.00 0.00 179.97 181.98 1ab2 n GLY 105 N 1.61 4.37 0.14 0.08 0.00 -1.26 -4.79 105.19 105.34 1ab2 n GLY 105 Ca -0.11 -2.63 -0.21 0.00 0.00 0.00 0.00 46.02 43.06 1ab2 n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1ab2 n ILE 106 N 1.93 1.77 0.00 -0.61 0.00 -1.26 -5.01 119.36 116.17 1ab2 n ILE 106 Ca 0.24 -0.61 0.00 0.00 0.00 0.00 0.00 62.75 62.38 1ab2 n ILE 106 Cb 0.37 -1.76 0.00 0.00 0.00 0.00 0.00 39.64 38.25 1ab2 n ILE 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1ab2 n HIS 107 N -3.55 0.00 0.00 9.51 8.25 -1.26 -5.12 115.22 123.05 1ab2 n HIS 107 Ca -0.32 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 1ab2 n HIS 107 Cb 1.02 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.13 1ab2 n HIS 107 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1ab2 n ARG 108 N 0.00 0.00 -0.51 -0.41 0.00 -1.26 -5.20 116.66 109.27 1ab2 n ARG 108 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1ab2 n ARG 108 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 1ab2 n ARG 108 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16