#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 -5.24 0.00 1.61 3.41 -1.26 -4.92 113.62 107.21 1ab2 n SER 2 Ca 0.00 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 1ab2 n SER 2 Cb 0.00 -3.10 0.00 0.00 -0.26 0.00 0.00 64.21 60.85 1ab2 n SER 2 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ab2 n GLY 3 N -3.03 0.95 4.37 5.00 0.00 -1.26 -4.87 105.19 106.36 1ab2 n GLY 3 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1ab2 n GLY 3 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ab2 n ASN 4 N 0.00 -0.67 0.00 1.61 0.23 -1.26 -2.77 115.26 112.40 1ab2 n ASN 4 Ca 0.00 -1.22 0.00 0.00 -0.53 0.00 0.00 54.58 52.83 1ab2 n ASN 4 Cb 0.00 -1.82 0.00 0.00 -2.08 0.00 0.00 39.78 35.88 1ab2 n ASN 4 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1ab2 n SER 5 N -2.70 0.00 0.00 0.53 2.88 -1.26 -2.56 113.62 110.51 1ab2 n SER 5 Ca -0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1ab2 n SER 5 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1ab2 n SER 5 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ab2 n LEU 6 N 0.00 0.00 -3.87 2.46 -0.00 -1.11 -5.03 117.00 109.44 1ab2 n LEU 6 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.61 1ab2 n LEU 6 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 1ab2 n LEU 6 CO 0.00 0.00 2.06 -0.62 -0.00 0.00 0.00 177.39 178.83 1ab2 n GLU 7 N -0.05 1.78 0.00 1.47 4.71 -1.06 -4.76 120.64 122.72 1ab2 n GLU 7 Ca 0.00 -2.14 0.00 0.00 -0.01 0.00 0.00 57.16 55.01 1ab2 n GLU 7 Cb 0.00 -3.15 0.00 0.00 -1.01 0.00 0.00 31.44 27.28 1ab2 n GLU 7 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1ab2 n LYS 8 N 7.22 0.00 -1.01 3.49 4.81 -1.26 -4.87 118.16 126.54 1ab2 n LYS 8 Ca 0.49 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.63 1ab2 n LYS 8 Cb 0.42 0.00 0.25 0.00 0.02 0.00 0.00 35.03 35.72 1ab2 n LYS 8 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1ab2 s HIS 9 N 0.00 0.15 -0.18 5.64 3.76 -1.26 -4.86 115.29 118.54 1ab2 s HIS 9 Ca 0.00 0.43 0.01 0.00 -0.15 0.00 0.00 55.06 55.35 1ab2 s HIS 9 Cb 0.00 -3.43 0.06 0.00 1.11 0.00 0.00 32.58 30.32 1ab2 s HIS 9 CO 0.00 -4.11 1.01 0.43 -0.85 0.00 0.00 174.74 171.22 1ab2 n SER 10 N -4.92 2.81 -0.15 1.40 7.64 -1.26 -2.31 113.62 116.84 1ab2 n SER 10 Ca 0.14 -2.14 0.00 0.00 1.01 0.00 0.00 58.87 57.88 1ab2 n SER 10 Cb 0.60 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 0.30 0.00 -3.87 1.43 4.27 -1.14 -1.47 117.44 116.96 1ab2 n TRP 11 Ca 0.05 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.30 1ab2 n TRP 11 Cb 0.57 0.05 -0.13 0.00 -1.36 0.00 0.00 31.31 30.44 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 3.20 0.00 -2.67 6.14 -0.98 -3.08 117.35 119.97 1ab2 s TYR 12 Ca 0.00 -1.59 0.00 0.00 0.64 0.00 0.00 57.07 56.12 1ab2 s TYR 12 Cb 0.00 -2.15 0.00 0.00 0.42 0.00 0.00 41.96 40.23 1ab2 s TYR 12 CO 0.00 -0.74 0.00 -2.39 0.64 0.00 0.00 175.55 173.06 1ab2 n HIS 13 N 4.70 0.00 -1.17 4.97 -0.00 -1.26 -4.10 115.22 118.36 1ab2 n HIS 13 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.58 1ab2 n HIS 13 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 1ab2 n HIS 13 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ab2 n GLY 14 N 3.67 -0.61 3.61 -1.39 0.00 -1.26 -4.67 105.19 104.54 1ab2 n GLY 14 Ca 0.00 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.05 3.66 -0.03 1.61 0.04 -1.23 -2.24 135.00 135.77 1ab2 s PRO 15 Ca 0.00 1.03 0.04 0.00 0.04 0.00 0.00 61.00 62.11 1ab2 s PRO 15 Cb 0.00 -3.99 -0.01 0.00 0.04 0.00 0.00 34.50 30.55 1ab2 s PRO 15 CO 0.00 -1.45 -0.15 0.54 0.04 0.00 0.00 177.00 175.98 1ab2 s VAL 16 N 5.16 1.25 0.14 -0.36 0.11 -1.26 -4.96 120.40 120.47 1ab2 s VAL 16 Ca 0.60 -0.64 -0.32 0.00 -2.93 0.00 0.00 61.98 58.69 1ab2 s VAL 16 Cb -0.15 -1.07 -0.12 0.00 -1.53 0.00 0.00 36.38 33.52 1ab2 s VAL 16 CO 0.30 0.36 1.77 -0.24 -3.33 0.00 0.00 175.10 173.96 1ab2 n SER 17 N 3.00 3.84 -0.22 3.54 2.88 -1.26 -4.85 113.62 120.56 1ab2 n SER 17 Ca -0.17 1.02 0.12 0.00 -1.33 0.00 0.00 58.87 58.51 1ab2 n SER 17 Cb 0.54 -1.52 0.41 0.00 -0.75 0.00 0.00 64.21 62.89 1ab2 n SER 17 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1ab2 h ARG 18 N 7.72 0.60 -0.53 -1.46 0.11 -1.99 -1.04 114.38 117.78 1ab2 h ARG 18 Ca -0.45 -0.04 0.10 0.00 0.10 0.00 0.00 59.98 59.69 1ab2 h ARG 18 Cb 1.23 -0.13 -0.11 0.00 1.11 0.00 0.00 29.97 32.06 1ab2 h ARG 18 CO 0.94 0.39 -0.26 -0.91 0.10 0.00 0.00 179.97 180.24 1ab2 h ASN 19 N 0.61 -0.88 -0.34 0.08 2.35 -2.00 0.13 115.58 115.52 1ab2 h ASN 19 Ca 0.40 0.20 -0.11 0.00 -0.55 0.00 0.00 56.30 56.23 1ab2 h ASN 19 Cb 0.67 0.47 -0.01 0.00 0.05 0.00 0.00 38.32 39.51 1ab2 h ASN 19 CO -0.16 -0.27 -0.22 0.00 -1.65 0.00 0.00 177.43 175.13 1ab2 h ALA 20 N 1.17 0.48 -0.70 -0.83 0.00 -1.62 -2.45 119.26 115.31 1ab2 h ALA 20 Ca 0.24 -0.37 0.10 0.00 0.00 0.00 0.00 54.91 54.87 1ab2 h ALA 20 Cb 0.50 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.06 1ab2 h ALA 20 CO -0.61 0.45 -0.45 0.00 0.00 0.00 0.00 179.25 178.65 1ab2 h ALA 21 N 0.76 -0.28 -0.55 0.00 0.00 0.26 2.25 119.26 121.71 1ab2 h ALA 21 Ca 0.07 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1ab2 h ALA 21 Cb 0.77 1.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 1ab2 h ALA 21 CO 0.06 -0.81 0.24 0.93 0.00 0.00 0.00 179.25 179.67 1ab2 h GLU 22 N -0.16 0.78 0.15 0.00 5.08 -0.83 -1.55 114.58 118.05 1ab2 h GLU 22 Ca 0.20 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1ab2 h GLU 22 Cb 0.55 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1ab2 h GLU 22 CO -0.77 0.62 -0.07 -0.92 -1.00 0.00 0.00 179.01 176.86 1ab2 h TYR 23 N 0.77 -0.19 -1.52 4.33 3.20 0.87 -3.14 116.97 121.29 1ab2 h TYR 23 Ca 0.19 -0.00 0.45 0.00 3.14 0.00 0.00 58.73 62.51 1ab2 h TYR 23 Cb 0.11 0.06 -0.09 0.00 1.54 0.00 0.00 36.73 38.36 1ab2 h TYR 23 CO 0.01 -0.12 1.06 1.37 -1.64 0.00 0.00 178.16 178.84 1ab2 h LEU 24 N -0.34 0.10 0.00 2.82 8.10 0.33 -1.20 115.31 125.12 1ab2 h LEU 24 Ca -0.02 0.04 0.00 0.00 0.11 0.00 0.00 57.88 58.01 1ab2 h LEU 24 Cb 0.16 0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.41 1ab2 h LEU 24 CO 0.03 -0.05 0.00 -0.11 -4.11 0.00 0.00 178.44 174.21 1ab2 n LEU 25 N -4.26 0.00 -3.24 0.17 -0.00 -0.58 -4.80 117.00 104.28 1ab2 n LEU 25 Ca 0.36 0.73 -0.12 0.00 -0.00 0.00 0.00 56.01 56.98 1ab2 n LEU 25 Cb 1.57 -0.23 0.00 0.00 -0.00 0.00 0.00 43.42 44.77 1ab2 n LEU 25 CO 0.36 -0.23 -0.09 -1.20 -0.00 0.00 0.00 177.39 176.22 1ab2 n SER 26 N -1.46 -1.83 -3.65 1.96 7.64 -0.46 -4.87 113.62 110.95 1ab2 n SER 26 Ca 0.00 -0.43 0.02 0.00 1.01 0.00 0.00 58.87 59.47 1ab2 n SER 26 Cb 0.00 -0.63 -0.06 0.00 -1.01 0.00 0.00 64.21 62.51 1ab2 n SER 26 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ab2 s SER 27 N -2.92 -0.03 -0.23 6.43 1.04 -1.26 -5.15 113.70 111.58 1ab2 s SER 27 Ca 0.05 0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.53 1ab2 s SER 27 Cb -0.03 0.91 0.02 0.00 0.10 0.00 0.00 66.02 67.03 1ab2 s SER 27 CO 0.37 -0.01 -0.10 -0.83 0.98 0.00 0.00 173.24 173.65 1ab2 s GLY 28 N 0.92 1.56 0.00 7.32 0.00 -1.26 -4.94 107.32 110.92 1ab2 s GLY 28 Ca -0.06 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.29 1ab2 s GLY 28 CO -0.10 0.45 0.00 0.29 0.00 0.00 0.00 173.10 173.73 1ab2 n ILE 29 N 4.66 0.00 0.95 0.90 -5.35 -1.26 -5.00 119.36 114.27 1ab2 n ILE 29 Ca -0.18 0.00 0.10 0.00 -0.27 0.00 0.00 62.75 62.40 1ab2 n ILE 29 Cb 0.48 0.00 0.51 0.00 -1.74 0.00 0.00 39.64 38.89 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 -0.98 0.00 0.00 7.28 3.02 -1.26 -4.51 115.26 118.81 1ab2 n ASN 30 Ca 0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1ab2 n ASN 30 Cb 0.00 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 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 0.40 2.61 3.13 7.41 0.00 -1.26 -5.00 105.19 112.48 1ab2 n GLY 31 Ca 0.10 0.25 -0.22 0.00 0.00 0.00 0.00 46.02 46.15 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 1.76 0.19 1.61 1.04 -0.98 -4.39 113.70 112.93 1ab2 s SER 32 Ca 0.00 -0.33 -0.21 0.00 0.48 0.00 0.00 55.95 55.89 1ab2 s SER 32 Cb 0.00 -0.17 0.05 0.00 0.10 0.00 0.00 66.02 66.00 1ab2 s SER 32 CO 0.00 0.14 0.60 0.72 0.98 0.00 0.00 173.24 175.69 1ab2 s PHE 33 N -0.49 -0.38 -0.22 5.02 -0.12 -1.26 0.12 117.98 120.64 1ab2 s PHE 33 Ca 0.05 0.09 -0.08 0.00 -0.05 0.00 0.00 56.93 56.94 1ab2 s PHE 33 Cb -0.06 0.55 0.10 0.00 -0.63 0.00 0.00 43.02 42.97 1ab2 s PHE 33 CO 0.00 -0.94 0.48 -0.48 -0.05 0.00 0.00 175.22 174.23 1ab2 s LEU 34 N -2.81 -0.73 0.51 -1.99 2.34 0.29 -4.71 118.68 111.58 1ab2 s LEU 34 Ca 0.05 1.13 -0.20 0.00 0.06 0.00 0.00 54.13 55.16 1ab2 s LEU 34 Cb -0.02 1.59 -0.07 0.00 -0.56 0.00 0.00 46.19 47.13 1ab2 s LEU 34 CO -0.07 -0.23 1.12 -0.69 -1.06 0.00 0.00 176.35 175.42 1ab2 s VAL 35 N 2.59 3.27 0.10 1.48 1.01 -1.18 -0.37 120.40 127.31 1ab2 s VAL 35 Ca -0.03 0.83 0.01 0.00 0.00 0.00 0.00 61.98 62.79 1ab2 s VAL 35 Cb -0.12 -3.36 -0.00 0.00 0.00 0.00 0.00 36.38 32.90 1ab2 s VAL 35 CO -0.14 -0.13 0.03 0.54 0.00 0.00 0.00 175.10 175.39 1ab2 n ARG 36 N -1.03 0.97 -3.75 2.72 1.74 0.12 -4.23 116.66 113.20 1ab2 n ARG 36 Ca 0.10 -0.84 -0.21 0.00 -0.77 0.00 0.00 57.85 56.13 1ab2 n ARG 36 Cb 0.51 0.43 -0.18 0.00 -1.02 0.00 0.00 32.46 32.20 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 -2.39 0.25 0.65 5.56 2.12 -0.95 -2.43 118.70 121.52 1ab2 s GLU 37 Ca 0.04 0.23 -0.14 0.00 0.36 0.00 0.00 54.97 55.46 1ab2 s GLU 37 Cb 0.00 -0.69 -0.01 0.00 0.26 0.00 0.00 34.13 33.70 1ab2 s GLU 37 CO 0.03 -0.29 1.08 0.45 -0.54 0.00 0.00 175.26 175.99 1ab2 s SER 38 N 1.92 5.37 0.29 -1.70 0.15 -1.02 -3.54 113.70 115.16 1ab2 s SER 38 Ca 0.03 1.83 0.06 0.00 0.70 0.00 0.00 55.95 58.56 1ab2 s SER 38 Cb -0.12 -2.53 -0.02 0.00 -1.71 0.00 0.00 66.02 61.64 1ab2 s SER 38 CO -0.04 -1.45 0.41 -1.61 1.20 0.00 0.00 173.24 171.76 1ab2 s GLU 39 N -4.36 3.27 0.00 5.44 2.02 -1.26 -4.42 118.70 119.39 1ab2 s GLU 39 Ca 0.63 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.73 1ab2 s GLU 39 Cb -0.17 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.21 1ab2 s GLU 39 CO 0.44 0.25 0.00 0.43 0.02 0.00 0.00 175.26 176.39 1ab2 n SER 40 N -1.52 0.00 -4.08 -0.19 7.64 -1.26 -4.77 113.62 109.44 1ab2 n SER 40 Ca -0.05 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.48 1ab2 n SER 40 Cb 0.58 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.67 1ab2 n SER 40 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ab2 s SER 41 N 0.00 5.14 0.00 6.43 1.04 -1.26 -4.95 113.70 120.10 1ab2 s SER 41 Ca 0.00 -2.85 -0.03 0.00 0.48 0.00 0.00 55.95 53.55 1ab2 s SER 41 Cb 0.00 -1.83 -0.12 0.00 0.10 0.00 0.00 66.02 64.17 1ab2 s SER 41 CO 0.00 -0.36 2.28 -0.81 0.98 0.00 0.00 173.24 175.33 1ab2 n PRO 42 N 3.47 1.18 0.00 4.02 -0.04 -1.26 -2.56 135.00 139.81 1ab2 n PRO 42 Ca 0.07 -0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 1ab2 n PRO 42 Cb 0.37 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 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 2.20 0.01 3.69 0.55 0.00 -1.26 -3.96 105.19 106.42 1ab2 n GLY 43 Ca 0.19 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.00 3.86 0.38 1.61 -2.07 -1.06 -4.99 119.66 116.38 1ab2 s GLN 44 Ca 0.00 -0.30 0.08 0.00 -1.82 0.00 0.00 55.36 53.32 1ab2 s GLN 44 Cb 0.00 -3.21 -0.05 0.00 -1.09 0.00 0.00 33.01 28.66 1ab2 s GLN 44 CO 0.00 0.39 0.16 1.03 -1.32 0.00 0.00 175.29 175.55 1ab2 s ARG 45 N 0.06 2.29 0.43 9.60 3.00 -1.26 -2.44 118.95 130.64 1ab2 s ARG 45 Ca 0.06 -1.69 0.07 0.00 0.00 0.00 0.00 55.73 54.17 1ab2 s ARG 45 Cb -0.12 -2.09 -0.03 0.00 0.00 0.00 0.00 34.95 32.71 1ab2 s ARG 45 CO 0.00 -0.01 0.24 -1.54 0.00 0.00 0.00 175.30 174.00 1ab2 s SER 46 N -3.88 4.57 -0.04 0.23 1.04 -1.02 0.31 113.70 114.91 1ab2 s SER 46 Ca 0.40 -1.05 -0.00 0.00 0.48 0.00 0.00 55.95 55.77 1ab2 s SER 46 Cb 0.00 -0.36 0.03 0.00 0.10 0.00 0.00 66.02 65.79 1ab2 s SER 46 CO 0.23 -0.64 0.01 -0.51 0.98 0.00 0.00 173.24 173.30 1ab2 s ILE 47 N -2.60 0.21 -0.41 -1.02 1.10 -0.65 0.13 121.20 117.95 1ab2 s ILE 47 Ca 0.40 0.14 -0.04 0.00 -0.51 0.00 0.00 60.65 60.64 1ab2 s ILE 47 Cb 0.02 -0.34 0.11 0.00 0.15 0.00 0.00 42.46 42.39 1ab2 s ILE 47 CO 0.23 0.19 0.22 -0.94 -2.11 0.00 0.00 174.94 172.52 1ab2 s SER 48 N 1.46 5.33 -0.05 4.50 1.04 0.50 -1.36 113.70 125.11 1ab2 s SER 48 Ca -0.04 -1.94 -0.02 0.00 0.48 0.00 0.00 55.95 54.43 1ab2 s SER 48 Cb -0.13 -1.86 -0.04 0.00 0.10 0.00 0.00 66.02 64.09 1ab2 s SER 48 CO -0.03 -0.55 0.06 -0.76 0.98 0.00 0.00 173.24 172.95 1ab2 s LEU 49 N 1.20 3.86 -0.06 2.42 1.02 -0.09 0.11 118.68 127.14 1ab2 s LEU 49 Ca 0.07 0.19 -0.01 0.00 0.02 0.00 0.00 54.13 54.40 1ab2 s LEU 49 Cb -0.23 -2.09 0.03 0.00 0.02 0.00 0.00 46.19 43.91 1ab2 s LEU 49 CO -0.03 0.33 -0.00 -0.60 0.02 0.00 0.00 176.35 176.06 1ab2 s ARG 50 N -1.36 0.55 0.00 1.70 3.00 0.32 0.20 118.95 123.36 1ab2 s ARG 50 Ca 0.19 0.09 0.00 0.00 -1.00 0.00 0.00 55.73 55.01 1ab2 s ARG 50 Cb -0.12 -0.86 0.00 0.00 0.00 0.00 0.00 34.95 33.98 1ab2 s ARG 50 CO 0.09 -0.25 0.00 0.66 0.00 0.00 0.00 175.30 175.79 1ab2 n TYR 51 N 4.87 -1.78 -0.84 5.12 4.02 -0.56 -2.31 117.16 125.69 1ab2 n TYR 51 Ca -0.12 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.69 1ab2 n TYR 51 Cb 0.50 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.72 1ab2 n TYR 51 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1ab2 n GLU 52 N -0.59 1.66 0.02 -0.72 4.07 -1.26 -3.96 120.64 119.87 1ab2 n GLU 52 Ca 0.00 -0.69 0.00 0.00 -0.06 0.00 0.00 57.16 56.41 1ab2 n GLU 52 Cb 0.00 -1.65 0.00 0.00 -0.06 0.00 0.00 31.44 29.73 1ab2 n GLU 52 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ab2 n GLY 53 N 2.09 -1.77 2.66 8.31 0.00 -1.26 -5.11 105.19 110.11 1ab2 n GLY 53 Ca 0.28 0.43 -0.13 0.00 0.00 0.00 0.00 46.02 46.59 1ab2 n GLY 53 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ab2 n ARG 54 N -2.60 0.48 -4.10 1.61 0.00 -1.25 -5.16 116.66 105.63 1ab2 n ARG 54 Ca 0.00 -2.41 -0.25 0.00 -0.00 0.00 0.00 57.85 55.18 1ab2 n ARG 54 Cb 0.00 2.18 -0.05 0.00 -0.00 0.00 0.00 32.46 34.59 1ab2 n ARG 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ab2 s VAL 55 N -2.87 4.41 -0.04 8.89 0.11 -1.26 -1.49 120.40 128.15 1ab2 s VAL 55 Ca 0.27 -1.17 0.01 0.00 -2.93 0.00 0.00 61.98 58.16 1ab2 s VAL 55 Cb 0.00 -3.28 0.02 0.00 -1.53 0.00 0.00 36.38 31.59 1ab2 s VAL 55 CO 0.19 -0.15 -0.06 -0.31 -3.33 0.00 0.00 175.10 171.44 1ab2 s TYR 56 N -1.82 0.85 -0.31 1.54 2.02 0.54 -4.95 117.35 115.21 1ab2 s TYR 56 Ca 0.31 -0.25 -0.05 0.00 -0.37 0.00 0.00 57.07 56.72 1ab2 s TYR 56 Cb -0.10 -0.70 0.03 0.00 -0.40 0.00 0.00 41.96 40.80 1ab2 s TYR 56 CO 0.23 -0.18 0.05 -1.01 -1.57 0.00 0.00 175.55 173.07 1ab2 s HIS 57 N 0.75 3.20 -0.21 2.71 3.76 -1.26 -0.91 115.29 123.32 1ab2 s HIS 57 Ca -0.11 -1.42 -0.00 0.00 -0.15 0.00 0.00 55.06 53.38 1ab2 s HIS 57 Cb -0.14 -2.20 0.06 0.00 1.11 0.00 0.00 32.58 31.41 1ab2 s HIS 57 CO 0.01 -0.70 -0.03 0.71 -0.85 0.00 0.00 174.74 173.87 1ab2 s TYR 58 N 1.39 1.89 0.30 1.40 1.51 -0.47 -4.99 117.35 118.38 1ab2 s TYR 58 Ca -0.01 -1.37 -0.29 0.00 -1.01 0.00 0.00 57.07 54.38 1ab2 s TYR 58 Cb -0.18 -1.38 -0.10 0.00 -0.11 0.00 0.00 41.96 40.19 1ab2 s TYR 58 CO 0.01 -0.70 1.26 -0.98 -1.11 0.00 0.00 175.55 174.03 1ab2 s ARG 59 N 1.57 4.43 0.59 -0.62 1.70 -1.26 -1.64 118.95 123.72 1ab2 s ARG 59 Ca -0.03 2.09 -0.18 0.00 -0.47 0.00 0.00 55.73 57.14 1ab2 s ARG 59 Cb -0.18 -3.12 -0.04 0.00 -0.57 0.00 0.00 34.95 31.05 1ab2 s ARG 59 CO -0.07 -0.10 1.13 0.42 -1.08 0.00 0.00 175.30 175.60 1ab2 s ILE 60 N -0.92 3.12 0.11 4.99 1.01 0.15 -4.90 121.20 124.75 1ab2 s ILE 60 Ca 0.49 0.63 0.08 0.00 0.00 0.00 0.00 60.65 61.85 1ab2 s ILE 60 Cb -0.37 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1ab2 s ILE 60 CO 0.47 -0.21 -0.13 0.20 0.00 0.00 0.00 174.94 175.27 1ab2 s ASN 61 N -2.02 4.18 0.23 3.58 0.01 -1.26 -4.67 114.94 114.99 1ab2 s ASN 61 Ca 0.71 -0.45 0.09 0.00 -0.71 0.00 0.00 52.86 52.50 1ab2 s ASN 61 Cb -0.24 -0.72 -0.04 0.00 0.41 0.00 0.00 41.25 40.67 1ab2 s ASN 61 CO 0.33 0.18 0.01 -0.89 -1.51 0.00 0.00 177.10 175.22 1ab2 s THR 62 N -1.18 3.62 -0.11 1.60 2.01 -1.26 -2.15 115.64 118.17 1ab2 s THR 62 Ca 0.20 -1.71 -0.03 0.00 0.31 0.00 0.00 61.69 60.46 1ab2 s THR 62 Cb -0.11 -2.90 -0.06 0.00 0.01 0.00 0.00 72.50 69.45 1ab2 s THR 62 CO 0.12 -0.28 2.72 0.00 -0.69 0.00 0.00 174.62 176.49 1ab2 n ALA 63 N -0.66 5.41 -3.05 7.40 0.00 -0.39 -4.69 120.51 124.53 1ab2 n ALA 63 Ca -0.08 -1.37 -0.15 0.00 0.00 0.00 0.00 53.44 51.84 1ab2 n ALA 63 Cb 0.58 -1.71 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 1ab2 n ALA 63 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ab2 n SER 64 N 1.61 -2.30 0.09 0.00 2.88 -1.26 -4.54 113.62 110.10 1ab2 n SER 64 Ca 0.28 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1ab2 n SER 64 Cb 0.68 -2.00 0.00 0.00 -0.75 0.00 0.00 64.21 62.13 1ab2 n SER 64 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1ab2 n ASP 65 N -1.91 -0.18 0.00 -3.46 5.68 -1.26 -5.06 116.55 110.36 1ab2 n ASP 65 Ca -0.01 0.31 0.00 0.00 -0.50 0.00 0.00 54.79 54.60 1ab2 n ASP 65 Cb 0.52 0.32 0.00 0.00 -1.14 0.00 0.00 41.12 40.82 1ab2 n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ab2 n GLY 66 N 1.42 0.26 3.77 6.12 0.00 -1.26 -5.14 105.19 110.36 1ab2 n GLY 66 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 3.83 -0.27 1.61 1.02 -1.26 -4.84 119.74 119.83 1ab2 s LYS 67 Ca 0.00 1.77 -0.09 0.00 0.02 0.00 0.00 55.97 57.67 1ab2 s LYS 67 Cb 0.00 -2.45 -0.03 0.00 -0.52 0.00 0.00 37.83 34.82 1ab2 s LYS 67 CO 0.00 -0.49 0.12 -0.51 -0.92 0.00 0.00 175.35 173.55 1ab2 s LEU 68 N -2.93 3.72 -0.26 3.17 1.43 0.88 -1.27 118.68 123.43 1ab2 s LEU 68 Ca 0.62 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.55 1ab2 s LEU 68 Cb -0.28 -2.00 0.08 0.00 0.03 0.00 0.00 46.19 44.01 1ab2 s LEU 68 CO 0.35 -0.05 0.05 -0.72 0.23 0.00 0.00 176.35 176.20 1ab2 s TYR 69 N 1.67 1.62 -0.45 0.29 1.13 -0.91 0.17 117.35 120.87 1ab2 s TYR 69 Ca 0.06 -1.46 0.25 0.00 -1.41 0.00 0.00 57.07 54.51 1ab2 s TYR 69 Cb -0.16 -1.48 0.99 0.00 -1.10 0.00 0.00 41.96 40.21 1ab2 s TYR 69 CO 0.07 -0.77 1.75 0.28 -2.51 0.00 0.00 175.55 174.37 1ab2 h VAL 70 N 6.53 0.00 -3.08 -3.49 2.07 -1.80 -3.43 116.25 113.05 1ab2 h VAL 70 Ca -0.15 -0.32 -0.18 0.00 0.82 0.00 0.00 66.70 66.87 1ab2 h VAL 70 Cb 1.06 1.13 -0.28 0.00 -1.52 0.00 0.00 31.29 31.68 1ab2 h VAL 70 CO 0.42 0.00 -0.46 -0.55 0.02 0.00 0.00 177.57 177.00 1ab2 s SER 71 N -4.49 -0.26 0.36 0.57 0.15 -1.08 -4.65 113.70 104.28 1ab2 s SER 71 Ca 0.05 0.51 0.18 0.00 0.70 0.00 0.00 55.95 57.39 1ab2 s SER 71 Cb 0.10 0.46 1.01 0.00 -1.71 0.00 0.00 66.02 65.87 1ab2 s SER 71 CO 0.45 -0.12 1.51 0.28 1.20 0.00 0.00 173.24 176.56 1ab2 h SER 72 N 6.46 0.00 0.08 5.45 0.02 -1.92 1.28 113.55 124.92 1ab2 h SER 72 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1ab2 h SER 72 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1ab2 h SER 72 CO 0.36 0.00 -1.36 -1.84 -1.14 0.00 0.00 176.83 172.85 1ab2 n GLU 73 N -2.22 0.29 -3.70 3.45 0.28 -1.26 -4.78 120.64 112.70 1ab2 n GLU 73 Ca -0.01 -0.07 -0.29 0.00 -0.16 0.00 0.00 57.16 56.63 1ab2 n GLU 73 Cb 0.21 -1.52 -0.16 0.00 1.43 0.00 0.00 31.44 31.40 1ab2 n GLU 73 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1ab2 s SER 74 N -3.72 3.52 0.01 -1.84 0.01 0.44 -5.12 113.70 107.00 1ab2 s SER 74 Ca 0.01 -1.26 0.08 0.00 1.31 0.00 0.00 55.95 56.09 1ab2 s SER 74 Cb 0.15 -0.68 -0.03 0.00 0.21 0.00 0.00 66.02 65.68 1ab2 s SER 74 CO 0.87 -0.38 -0.23 -0.13 0.41 0.00 0.00 173.24 173.79 1ab2 s ARG 75 N 1.79 2.04 0.31 12.44 0.52 -1.24 -2.65 118.95 132.16 1ab2 s ARG 75 Ca 0.05 -0.97 0.04 0.00 -0.52 0.00 0.00 55.73 54.33 1ab2 s ARG 75 Cb -0.17 -2.09 -0.03 0.00 0.52 0.00 0.00 34.95 33.17 1ab2 s ARG 75 CO -0.21 0.55 0.20 -0.06 0.02 0.00 0.00 175.30 175.80 1ab2 s PHE 76 N -0.76 1.61 -0.09 -0.53 0.08 0.45 -4.93 117.98 113.81 1ab2 s PHE 76 Ca 0.12 -1.48 0.03 0.00 0.12 0.00 0.00 56.93 55.71 1ab2 s PHE 76 Cb -0.10 -0.78 -0.07 0.00 -0.57 0.00 0.00 43.02 41.49 1ab2 s PHE 76 CO 0.02 -0.66 -0.05 0.09 -0.10 0.00 0.00 175.22 174.52 1ab2 n ASN 77 N -1.10 3.25 -4.52 1.36 3.02 -1.26 0.30 115.26 116.31 1ab2 n ASN 77 Ca 0.03 -0.03 -0.26 0.00 -0.03 0.00 0.00 54.58 54.29 1ab2 n ASN 77 Cb 0.64 0.11 -0.10 0.00 -0.61 0.00 0.00 39.78 39.82 1ab2 n ASN 77 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1ab2 s THR 78 N -2.18 2.86 0.16 3.41 -1.32 -1.26 -4.37 115.64 112.93 1ab2 s THR 78 Ca -0.10 -1.91 -0.16 0.00 -1.21 0.00 0.00 61.69 58.31 1ab2 s THR 78 Cb 0.03 -2.43 0.03 0.00 -1.51 0.00 0.00 72.50 68.62 1ab2 s THR 78 CO 0.24 -0.18 1.76 0.25 -2.21 0.00 0.00 174.62 174.48 1ab2 h LEU 79 N 2.79 0.20 0.00 9.08 7.12 -1.96 -2.14 115.31 130.40 1ab2 h LEU 79 Ca -0.45 0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.59 1ab2 h LEU 79 Cb 1.22 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.35 1ab2 h LEU 79 CO 0.54 0.16 0.00 0.00 -0.13 0.00 0.00 178.44 179.00 1ab2 n ALA 80 N -2.32 -0.05 -0.35 1.25 0.00 -1.26 0.13 120.51 117.90 1ab2 n ALA 80 Ca 0.02 0.00 0.37 0.00 0.00 0.00 0.00 53.44 53.82 1ab2 n ALA 80 Cb 0.12 0.32 0.68 0.00 0.00 0.00 0.00 19.45 20.58 1ab2 n ALA 80 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ab2 h GLU 81 N 0.00 0.00 0.19 0.00 4.39 -1.96 2.01 114.58 119.21 1ab2 h GLU 81 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1ab2 h GLU 81 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1ab2 h GLU 81 CO 0.00 0.00 -0.09 1.25 -1.16 0.00 0.00 179.01 179.01 1ab2 h LEU 82 N 0.00 -0.21 -0.44 1.33 6.46 0.10 -2.82 115.31 119.73 1ab2 h LEU 82 Ca 0.61 -0.32 -0.13 0.00 -0.12 0.00 0.00 57.88 57.92 1ab2 h LEU 82 Cb 2.75 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 42.73 1ab2 h LEU 82 CO -0.01 0.31 -0.23 0.58 -0.62 0.00 0.00 178.44 178.47 1ab2 h VAL 83 N -0.86 1.27 -0.54 1.05 2.07 0.69 0.39 116.25 120.32 1ab2 h VAL 83 Ca -0.03 -1.39 0.09 0.00 0.82 0.00 0.00 66.70 66.19 1ab2 h VAL 83 Cb 0.52 1.22 -0.10 0.00 -1.52 0.00 0.00 31.29 31.40 1ab2 h VAL 83 CO 0.04 0.47 -0.41 0.45 0.02 0.00 0.00 177.57 178.15 1ab2 h HIS 84 N 0.77 -1.18 -0.30 1.57 3.86 0.28 1.56 115.15 121.71 1ab2 h HIS 84 Ca 0.10 0.08 -0.18 0.00 -1.16 0.00 0.00 60.37 59.21 1ab2 h HIS 84 Cb 0.81 0.60 -0.00 0.00 1.06 0.00 0.00 27.41 29.87 1ab2 h HIS 84 CO 0.06 -0.42 -0.51 1.25 0.86 0.00 0.00 177.93 179.17 1ab2 h HIS 85 N -0.23 1.05 0.00 2.45 -0.00 -1.45 -2.38 115.15 114.59 1ab2 h HIS 85 Ca 0.18 -0.36 0.00 0.00 -0.00 0.00 0.00 60.37 60.19 1ab2 h HIS 85 Cb 0.56 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 27.77 1ab2 h HIS 85 CO -0.67 1.17 0.00 0.72 -0.00 0.00 0.00 177.93 179.15 1ab2 n HIS 86 N -4.01 0.00 -0.05 5.26 -0.00 0.12 -0.25 115.22 116.29 1ab2 n HIS 86 Ca -0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.64 1ab2 n HIS 86 Cb 0.60 -0.03 -0.14 0.00 -0.00 0.00 0.00 29.99 30.42 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 -0.30 0.28 0.00 0.41 2.88 0.51 -3.11 113.62 114.29 1ab2 n SER 87 Ca 0.00 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1ab2 n SER 87 Cb 0.07 0.87 0.00 0.00 -0.75 0.00 0.00 64.21 64.41 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 -2.73 0.00 -3.51 2.46 -2.24 -1.04 -4.60 114.28 102.62 1ab2 n THR 88 Ca -0.22 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.29 1ab2 n THR 88 Cb 0.98 -0.59 -0.11 0.00 -2.10 0.00 0.00 70.33 68.52 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 -1.82 0.85 -1.09 2.28 1.01 0.66 -5.03 120.40 117.25 1ab2 s VAL 89 Ca 0.00 -2.90 -0.22 0.00 0.00 0.00 0.00 61.98 58.86 1ab2 s VAL 89 Cb 0.00 -1.59 -0.10 0.00 0.00 0.00 0.00 36.38 34.69 1ab2 s VAL 89 CO 0.00 -1.16 1.92 0.00 0.00 0.00 0.00 175.10 175.86 1ab2 n ALA 90 N 2.78 2.20 1.87 5.51 0.00 -1.26 -4.02 120.51 127.60 1ab2 n ALA 90 Ca 0.26 -3.11 0.00 0.00 0.00 0.00 0.00 53.44 50.59 1ab2 n ALA 90 Cb 0.44 -3.52 0.00 0.00 0.00 0.00 0.00 19.45 16.37 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 12.65 0.10 0.00 0.00 8.00 -1.26 -4.39 116.55 131.65 1ab2 n ASP 91 Ca 0.46 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 54.00 1ab2 n ASP 91 Cb 0.45 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 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 0.44 -0.25 3.75 0.44 0.00 -1.26 -4.45 105.19 103.84 1ab2 n GLY 92 Ca 0.00 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.04 3.61 0.00 0.99 2.01 -1.26 -4.97 118.68 116.02 1ab2 s LEU 93 Ca 0.00 2.41 0.00 0.00 0.01 0.00 0.00 54.13 56.55 1ab2 s LEU 93 Cb 0.00 -4.60 0.00 0.00 0.01 0.00 0.00 46.19 41.60 1ab2 s LEU 93 CO 0.00 -1.72 0.03 2.30 1.01 0.00 0.00 176.35 177.97 1ab2 n ILE 94 N -1.76 0.00 -1.60 -0.59 -0.00 -1.26 -4.70 119.36 109.45 1ab2 n ILE 94 Ca 0.14 0.53 -0.14 0.00 -0.00 0.00 0.00 62.75 63.28 1ab2 n ILE 94 Cb 0.49 -1.16 0.09 0.00 -0.00 0.00 0.00 39.64 39.07 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 -0.05 0.00 -4.09 7.28 5.66 -1.26 -4.79 114.28 117.03 1ab2 n THR 95 Ca 0.00 -0.52 -0.33 0.00 -3.05 0.00 0.00 64.05 60.15 1ab2 n THR 95 Cb 0.00 -1.67 -0.16 0.00 -1.55 0.00 0.00 70.33 66.96 1ab2 n THR 95 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ab2 s THR 96 N -2.26 2.24 0.00 1.09 -4.23 -1.26 -4.77 115.64 106.46 1ab2 s THR 96 Ca 0.36 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1ab2 s THR 96 Cb -0.01 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.85 1ab2 s THR 96 CO 0.25 0.48 0.00 0.18 -0.54 0.00 0.00 174.62 175.00 1ab2 n LEU 97 N 4.63 0.00 0.00 4.79 7.99 -1.18 -4.86 117.00 128.37 1ab2 n LEU 97 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.80 1ab2 n LEU 97 Cb 0.50 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.81 1ab2 n LEU 97 CO 0.26 0.00 -0.03 1.57 -1.51 0.00 0.00 177.39 177.68 1ab2 n HIS 98 N 0.00 0.00 -4.04 -1.77 -0.00 -1.26 -4.83 115.22 103.32 1ab2 n HIS 98 Ca 0.00 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.87 1ab2 n HIS 98 Cb 0.00 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.72 1ab2 n HIS 98 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 1ab2 s TYR 99 N -1.06 3.42 -1.23 1.57 2.02 -1.26 -5.04 117.35 115.77 1ab2 s TYR 99 Ca 0.00 -2.58 -0.21 0.00 -0.37 0.00 0.00 57.07 53.92 1ab2 s TYR 99 Cb 0.00 -2.32 -0.01 0.00 -0.40 0.00 0.00 41.96 39.23 1ab2 s TYR 99 CO 0.00 -0.90 1.83 -1.25 -1.57 0.00 0.00 175.55 173.65 1ab2 s PRO 100 N 1.04 3.24 -0.37 -1.71 0.04 -1.26 -4.71 135.00 131.25 1ab2 s PRO 100 Ca -0.00 -1.54 -0.33 0.00 0.04 0.00 0.00 61.00 59.16 1ab2 s PRO 100 Cb -0.20 -5.38 -0.11 0.00 0.04 0.00 0.00 34.50 28.85 1ab2 s PRO 100 CO -0.07 -3.10 2.24 0.00 0.04 0.00 0.00 177.00 176.11 1ab2 n ALA 101 N 11.38 1.11 -2.39 8.56 0.00 -0.54 -4.42 120.51 134.20 1ab2 n ALA 101 Ca 0.46 -0.16 -0.43 0.00 0.00 0.00 0.00 53.44 53.32 1ab2 n ALA 101 Cb 0.46 -2.63 -0.02 0.00 0.00 0.00 0.00 19.45 17.26 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 6.52 4.04 -1.28 0.00 0.04 -0.74 -2.88 135.00 140.70 1ab2 s PRO 102 Ca 1.09 1.47 -0.06 0.00 0.04 0.00 0.00 61.00 63.54 1ab2 s PRO 102 Cb -0.76 -3.85 0.16 0.00 0.04 0.00 0.00 34.50 30.09 1ab2 s PRO 102 CO 0.46 -0.96 2.18 1.63 0.04 0.00 0.00 177.00 180.35 1ab2 n LYS 103 N 7.05 4.45 -2.25 4.56 4.76 -1.26 -4.96 118.16 130.49 1ab2 n LYS 103 Ca 0.15 -3.63 -0.43 0.00 -2.87 0.00 0.00 58.31 51.54 1ab2 n LYS 103 Cb 0.46 -2.68 -0.02 0.00 -1.84 0.00 0.00 35.03 30.94 1ab2 n LYS 103 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1ab2 s ARG 104 N -1.15 4.22 0.35 1.97 3.52 -1.26 -4.97 118.95 121.63 1ab2 s ARG 104 Ca 0.48 1.88 0.05 0.00 -0.13 0.00 0.00 55.73 58.02 1ab2 s ARG 104 Cb 0.16 -3.82 -0.07 0.00 -1.56 0.00 0.00 34.95 29.66 1ab2 s ARG 104 CO -0.07 -0.73 0.04 0.20 -0.81 0.00 0.00 175.30 173.93 1ab2 s GLY 105 N 2.44 2.20 -0.11 8.12 0.00 -1.26 -5.08 107.32 113.64 1ab2 s GLY 105 Ca 0.62 -2.13 -0.13 0.00 0.00 0.00 0.00 44.72 43.07 1ab2 s GLY 105 CO 0.21 -1.91 0.41 1.19 0.00 0.00 0.00 173.10 173.00 1ab2 h ILE 106 N 2.01 0.75 0.00 0.90 2.10 -2.03 -3.48 117.51 117.76 1ab2 h ILE 106 Ca -0.42 -1.48 0.00 0.00 1.08 0.00 0.00 64.86 64.04 1ab2 h ILE 106 Cb 1.24 1.39 0.00 0.00 -1.09 0.00 0.00 36.82 38.36 1ab2 h ILE 106 CO 0.73 0.24 0.00 0.00 -1.08 0.00 0.00 178.15 178.05 1ab2 n HIS 107 N -4.75 -0.41 -1.15 2.19 1.44 -1.26 -5.10 115.22 106.18 1ab2 n HIS 107 Ca -0.05 0.00 -0.52 0.00 -2.01 0.00 0.00 57.72 55.14 1ab2 n HIS 107 Cb 0.21 0.08 -0.11 0.00 0.12 0.00 0.00 29.99 30.29 1ab2 n HIS 107 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1ab2 n ARG 108 N -1.77 0.00 0.00 -1.40 3.00 -1.26 -5.18 116.66 110.05 1ab2 n ARG 108 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.85 57.95 1ab2 n ARG 108 Cb 0.00 -1.35 0.63 0.00 0.00 0.00 0.00 32.46 31.74 1ab2 n ARG 108 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16