#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 -6.68 -3.79 1.61 3.41 -1.26 -3.47 113.62 103.44 1ab2 n SER 2 Ca 0.00 0.09 -0.25 0.00 -0.26 0.00 0.00 58.87 58.44 1ab2 n SER 2 Cb 0.00 -3.54 0.00 0.00 -0.26 0.00 0.00 64.21 60.41 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 -0.46 -1.26 3.53 5.00 0.00 -1.26 -4.59 105.19 106.15 1ab2 n GLY 3 Ca -0.01 0.63 -0.39 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.54 1.71 -3.33 1.61 4.13 -1.23 -3.21 115.26 112.40 1ab2 n ASN 4 Ca -0.32 -0.24 -0.28 0.00 1.68 0.00 0.00 54.58 55.43 1ab2 n ASN 4 Cb 0.70 -1.37 0.03 0.00 -1.54 0.00 0.00 39.78 37.60 1ab2 n ASN 4 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1ab2 n SER 5 N 13.88 -5.55 -4.43 6.41 7.64 -1.26 -4.80 113.62 125.51 1ab2 n SER 5 Ca 0.46 -0.01 -0.44 0.00 1.01 0.00 0.00 58.87 59.88 1ab2 n SER 5 Cb 0.37 -1.52 -0.02 0.00 -1.01 0.00 0.00 64.21 62.02 1ab2 n SER 5 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ab2 s LEU 6 N -1.97 5.34 -1.33 -3.43 2.01 -1.20 -4.91 118.68 113.19 1ab2 s LEU 6 Ca 0.27 -2.23 -0.09 0.00 0.01 0.00 0.00 54.13 52.09 1ab2 s LEU 6 Cb -0.03 -2.37 -0.07 0.00 0.01 0.00 0.00 46.19 43.74 1ab2 s LEU 6 CO 0.61 -0.95 2.57 -0.62 1.01 0.00 0.00 176.35 178.96 1ab2 n GLU 7 N 6.03 2.98 0.00 1.70 -0.58 -1.26 -4.58 120.64 124.94 1ab2 n GLU 7 Ca 0.23 -1.95 0.00 0.00 -0.42 0.00 0.00 57.16 55.02 1ab2 n GLU 7 Cb 0.48 -2.72 0.00 0.00 -0.57 0.00 0.00 31.44 28.64 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 4.12 0.00 -1.33 3.49 0.00 -1.26 -4.89 118.16 118.29 1ab2 n LYS 8 Ca 0.64 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.79 1ab2 n LYS 8 Cb 0.21 0.00 0.10 0.00 0.00 0.00 0.00 35.03 35.34 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 -3.67 1.98 5.64 8.25 -1.26 -4.91 115.22 121.25 1ab2 n HIS 9 Ca 0.00 -0.80 0.08 0.00 -0.26 0.00 0.00 57.72 56.74 1ab2 n HIS 9 Cb 0.00 -0.52 0.50 0.00 1.12 0.00 0.00 29.99 31.08 1ab2 n HIS 9 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ab2 n SER 10 N -3.28 0.04 -0.02 0.41 7.64 -1.26 -2.24 113.62 114.90 1ab2 n SER 10 Ca 0.09 -1.48 0.02 0.00 1.01 0.00 0.00 58.87 58.52 1ab2 n SER 10 Cb 0.33 -0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.56 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 -0.74 0.00 -4.02 1.43 4.27 -1.26 -2.31 117.44 114.82 1ab2 n TRP 11 Ca 0.13 -0.58 -0.33 0.00 -3.89 0.00 0.00 57.50 52.83 1ab2 n TRP 11 Cb 0.06 -0.07 -0.15 0.00 -1.36 0.00 0.00 31.31 29.80 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 -1.33 3.27 0.00 -2.67 5.04 -0.95 -3.14 117.35 117.57 1ab2 s TYR 12 Ca 0.06 -2.20 0.00 0.00 -2.44 0.00 0.00 57.07 52.49 1ab2 s TYR 12 Cb 0.06 -1.99 0.00 0.00 0.35 0.00 0.00 41.96 40.37 1ab2 s TYR 12 CO 0.01 -0.86 0.00 0.72 -1.34 0.00 0.00 175.55 174.08 1ab2 n HIS 13 N 4.49 0.00 -1.98 4.97 8.25 -1.26 -4.09 115.22 125.59 1ab2 n HIS 13 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1ab2 n HIS 13 Cb 0.42 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.53 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 3.92 2.09 3.64 -1.41 0.00 -1.26 -4.34 105.19 107.83 1ab2 n GLY 14 Ca 0.00 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 1.49 4.02 -0.05 1.61 0.04 -1.26 -4.30 135.00 136.55 1ab2 s PRO 15 Ca 0.00 1.43 -0.01 0.00 0.04 0.00 0.00 61.00 62.46 1ab2 s PRO 15 Cb 0.00 -3.85 0.03 0.00 0.04 0.00 0.00 34.50 30.72 1ab2 s PRO 15 CO 0.00 -0.99 0.02 0.14 0.04 0.00 0.00 177.00 176.21 1ab2 s VAL 16 N 4.14 0.20 0.83 -0.36 -7.23 -1.26 -4.95 120.40 111.77 1ab2 s VAL 16 Ca 0.57 0.19 -0.10 0.00 -1.81 0.00 0.00 61.98 60.82 1ab2 s VAL 16 Cb -0.19 -0.36 0.10 0.00 0.56 0.00 0.00 36.38 36.48 1ab2 s VAL 16 CO 0.21 0.21 1.11 -0.44 -0.31 0.00 0.00 175.10 175.87 1ab2 s SER 17 N 1.74 3.84 0.15 4.85 0.01 -1.26 -4.32 113.70 118.70 1ab2 s SER 17 Ca 0.01 1.93 -0.17 0.00 1.31 0.00 0.00 55.95 59.03 1ab2 s SER 17 Cb -0.13 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.61 1ab2 s SER 17 CO -0.03 -2.48 1.78 0.03 0.41 0.00 0.00 173.24 172.95 1ab2 h ARG 18 N -1.44 0.38 0.19 12.44 3.08 -1.97 1.33 114.38 128.39 1ab2 h ARG 18 Ca -0.44 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 59.60 1ab2 h ARG 18 Cb 1.25 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.17 1ab2 h ARG 18 CO 0.48 0.25 -0.39 -2.95 -1.07 0.00 0.00 179.97 176.29 1ab2 h ASN 19 N 0.39 -1.11 -0.73 7.04 7.08 -2.00 -1.05 115.58 125.20 1ab2 h ASN 19 Ca 0.14 0.12 -0.02 0.00 -3.08 0.00 0.00 56.30 53.46 1ab2 h ASN 19 Cb 0.03 0.41 -0.03 0.00 -2.08 0.00 0.00 38.32 36.64 1ab2 h ASN 19 CO -0.08 -0.48 0.36 0.00 -2.08 0.00 0.00 177.43 175.15 1ab2 h ALA 20 N -0.16 0.94 -0.83 4.14 0.00 -1.86 -2.32 119.26 119.16 1ab2 h ALA 20 Ca 0.01 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 54.98 1ab2 h ALA 20 Cb 0.66 -0.29 -0.15 0.00 0.00 0.00 0.00 17.79 18.02 1ab2 h ALA 20 CO -0.19 0.49 0.02 0.00 0.00 0.00 0.00 179.25 179.57 1ab2 h ALA 21 N 1.18 0.91 -0.24 0.00 0.00 0.26 2.13 119.26 123.49 1ab2 h ALA 21 Ca 0.25 0.27 -0.10 0.00 0.00 0.00 0.00 54.91 55.33 1ab2 h ALA 21 Cb 0.10 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1ab2 h ALA 21 CO -0.03 -0.46 -0.26 0.93 0.00 0.00 0.00 179.25 179.43 1ab2 h GLU 22 N 0.09 0.46 0.11 0.00 5.08 -0.69 -2.23 114.58 117.39 1ab2 h GLU 22 Ca 0.47 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 1ab2 h GLU 22 Cb 0.87 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1ab2 h GLU 22 CO -0.74 0.68 -0.05 -0.92 -1.00 0.00 0.00 179.01 176.98 1ab2 h TYR 23 N 0.40 -0.14 -1.61 4.33 3.20 0.19 -3.26 116.97 120.08 1ab2 h TYR 23 Ca 0.06 -0.00 0.47 0.00 3.14 0.00 0.00 58.73 62.40 1ab2 h TYR 23 Cb 0.67 0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.91 1ab2 h TYR 23 CO 0.02 -0.09 1.15 1.25 -1.64 0.00 0.00 178.16 178.85 1ab2 h LEU 24 N -0.51 0.04 -9.88 2.82 7.12 0.28 -3.40 115.31 111.77 1ab2 h LEU 24 Ca -0.02 0.02 -0.53 0.00 0.13 0.00 0.00 57.88 57.48 1ab2 h LEU 24 Cb 0.12 0.01 0.21 0.00 -0.53 0.00 0.00 40.66 40.47 1ab2 h LEU 24 CO 0.03 -0.02 -0.42 -0.11 -0.13 0.00 0.00 178.44 177.79 1ab2 n LEU 25 N -4.12 0.45 -2.01 2.25 7.94 -0.84 -4.75 117.00 115.92 1ab2 n LEU 25 Ca 0.37 0.34 -0.08 0.00 -1.11 0.00 0.00 56.01 55.53 1ab2 n LEU 25 Cb 1.66 -1.26 -0.12 0.00 0.53 0.00 0.00 43.42 44.24 1ab2 n LEU 25 CO 0.40 -3.35 1.31 -0.24 -1.11 0.00 0.00 177.39 174.40 1ab2 n SER 26 N -1.89 4.29 -1.09 1.96 2.88 -1.26 -4.90 113.62 113.61 1ab2 n SER 26 Ca 0.08 -2.27 0.11 0.00 -1.33 0.00 0.00 58.87 55.45 1ab2 n SER 26 Cb 0.53 -1.12 -0.06 0.00 -0.75 0.00 0.00 64.21 62.82 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 2.42 -4.95 -4.11 -3.46 2.88 -1.26 -4.55 113.62 100.58 1ab2 n SER 27 Ca 0.29 0.85 -0.58 0.00 -1.33 0.00 0.00 58.87 58.10 1ab2 n SER 27 Cb 0.69 -3.64 -0.08 0.00 -0.75 0.00 0.00 64.21 60.43 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 -3.75 0.09 1.38 0.46 0.00 -1.26 -4.92 105.19 97.18 1ab2 n GLY 28 Ca -0.05 0.84 -0.11 0.00 0.00 0.00 0.00 46.02 46.70 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 3.11 0.00 1.59 -0.61 -6.64 -0.39 -4.79 119.36 111.63 1ab2 n ILE 29 Ca 0.25 -0.96 0.13 0.00 -1.77 0.00 0.00 62.75 60.41 1ab2 n ILE 29 Cb -0.03 0.31 0.77 0.00 -1.44 0.00 0.00 39.64 39.25 1ab2 n ILE 29 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 1ab2 n ASN 30 N -1.69 0.00 0.00 7.28 5.15 -1.26 -1.71 115.26 123.03 1ab2 n ASN 30 Ca -0.04 -0.69 0.00 0.00 -0.60 0.00 0.00 54.58 53.25 1ab2 n ASN 30 Cb 0.25 -0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.44 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 0.73 2.92 3.26 8.20 0.00 -1.25 -4.75 105.19 114.29 1ab2 n GLY 31 Ca 0.19 -0.29 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 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 1.90 0.09 1.61 0.15 0.17 -4.56 113.70 113.06 1ab2 s SER 32 Ca 0.00 -0.98 0.04 0.00 0.70 0.00 0.00 55.95 55.70 1ab2 s SER 32 Cb 0.00 -0.03 -0.03 0.00 -1.71 0.00 0.00 66.02 64.24 1ab2 s SER 32 CO 0.00 -0.29 -0.10 -0.36 1.20 0.00 0.00 173.24 173.69 1ab2 s PHE 33 N -3.11 1.03 -0.25 3.44 0.40 -1.26 0.30 117.98 118.52 1ab2 s PHE 33 Ca 0.16 -0.62 -0.07 0.00 -0.60 0.00 0.00 56.93 55.80 1ab2 s PHE 33 Cb 0.01 -0.57 0.12 0.00 0.51 0.00 0.00 43.02 43.09 1ab2 s PHE 33 CO 0.02 -0.01 0.51 -0.48 0.70 0.00 0.00 175.22 175.96 1ab2 s LEU 34 N -2.27 -0.90 0.32 -0.37 2.34 0.11 -4.35 118.68 113.56 1ab2 s LEU 34 Ca 0.03 1.08 -0.28 0.00 0.06 0.00 0.00 54.13 55.02 1ab2 s LEU 34 Cb -0.04 1.74 -0.10 0.00 -0.56 0.00 0.00 46.19 47.23 1ab2 s LEU 34 CO 0.00 -0.24 1.18 -0.69 -1.06 0.00 0.00 176.35 175.54 1ab2 s VAL 35 N 2.73 3.18 0.18 1.48 1.01 -1.19 0.37 120.40 128.16 1ab2 s VAL 35 Ca 0.01 1.15 0.01 0.00 0.00 0.00 0.00 61.98 63.15 1ab2 s VAL 35 Cb -0.13 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 1ab2 s VAL 35 CO -0.16 0.25 0.04 0.54 0.00 0.00 0.00 175.10 175.76 1ab2 n ARG 36 N 0.85 1.07 -5.08 2.72 3.00 0.76 -4.69 116.66 115.30 1ab2 n ARG 36 Ca 0.00 -1.39 -0.32 0.00 -0.01 0.00 0.00 57.85 56.13 1ab2 n ARG 36 Cb 0.44 0.60 -0.15 0.00 0.00 0.00 0.00 32.46 33.36 1ab2 n ARG 36 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1ab2 s GLU 37 N -2.65 2.40 -1.25 5.56 2.02 -1.26 0.86 118.70 124.38 1ab2 s GLU 37 Ca 0.05 -0.80 -0.13 0.00 0.02 0.00 0.00 54.97 54.10 1ab2 s GLU 37 Cb 0.00 -2.24 -0.05 0.00 0.10 0.00 0.00 34.13 31.94 1ab2 s GLU 37 CO 0.04 0.56 2.33 -1.13 0.02 0.00 0.00 175.26 177.07 1ab2 n SER 38 N 2.48 5.01 -4.13 -0.19 3.41 -1.12 -4.75 113.62 114.34 1ab2 n SER 38 Ca -0.17 -2.64 -0.28 0.00 -0.26 0.00 0.00 58.87 55.53 1ab2 n SER 38 Cb 0.52 -1.41 -0.18 0.00 -0.26 0.00 0.00 64.21 62.88 1ab2 n SER 38 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1ab2 n GLU 39 N 5.30 0.00 0.00 4.33 4.07 -1.26 -0.42 120.64 132.66 1ab2 n GLU 39 Ca 0.57 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.67 1ab2 n GLU 39 Cb 0.30 -1.12 0.00 0.00 -0.06 0.00 0.00 31.44 30.56 1ab2 n GLU 39 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1ab2 n SER 40 N 7.07 0.00 -4.76 4.31 7.64 -1.26 -5.14 113.62 121.47 1ab2 n SER 40 Ca 0.62 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 60.25 1ab2 n SER 40 Cb 0.08 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.22 1ab2 n SER 40 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ab2 s SER 41 N 0.00 4.48 0.00 6.43 0.01 0.43 -5.12 113.70 119.93 1ab2 s SER 41 Ca 0.00 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.17 1ab2 s SER 41 Cb 0.00 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 65.85 1ab2 s SER 41 CO 0.00 -0.61 0.00 -0.81 0.41 0.00 0.00 173.24 172.23 1ab2 n PRO 42 N -1.30 0.00 -2.66 12.44 -0.04 -1.26 -4.57 135.00 137.60 1ab2 n PRO 42 Ca -0.01 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.02 1ab2 n PRO 42 Cb 0.64 -0.11 0.01 0.00 -0.04 0.00 0.00 33.50 34.00 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 2.33 5.28 3.34 0.55 0.00 -1.26 -4.96 105.19 110.47 1ab2 n GLY 43 Ca 0.00 -2.45 -0.31 0.00 0.00 0.00 0.00 46.02 43.26 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 -2.17 2.07 0.05 1.61 1.11 -1.26 -5.10 119.66 115.97 1ab2 s GLN 44 Ca 0.37 -0.96 0.06 0.00 0.01 0.00 0.00 55.36 54.84 1ab2 s GLN 44 Cb 0.10 -2.06 -0.03 0.00 -1.01 0.00 0.00 33.01 30.02 1ab2 s GLN 44 CO 0.02 0.55 -0.16 1.03 0.01 0.00 0.00 175.29 176.74 1ab2 s ARG 45 N -0.81 1.03 0.47 2.91 1.81 -1.26 -2.79 118.95 120.30 1ab2 s ARG 45 Ca 0.11 -0.88 0.04 0.00 -1.72 0.00 0.00 55.73 53.28 1ab2 s ARG 45 Cb -0.10 -1.09 -0.04 0.00 -0.45 0.00 0.00 34.95 33.27 1ab2 s ARG 45 CO 0.00 0.26 0.02 -1.54 -0.68 0.00 0.00 175.30 173.37 1ab2 s SER 46 N -1.35 4.06 -0.10 0.23 1.04 0.25 -2.28 113.70 115.54 1ab2 s SER 46 Ca 0.03 -1.50 0.01 0.00 0.48 0.00 0.00 55.95 54.96 1ab2 s SER 46 Cb -0.09 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.16 1ab2 s SER 46 CO 0.02 -0.68 -0.12 -0.63 0.98 0.00 0.00 173.24 172.80 1ab2 s ILE 47 N -2.80 1.28 -0.49 -1.02 -1.09 -0.55 -0.17 121.20 116.37 1ab2 s ILE 47 Ca 0.20 -0.50 -0.00 0.00 -2.23 0.00 0.00 60.65 58.11 1ab2 s ILE 47 Cb 0.05 -1.20 0.13 0.00 -1.58 0.00 0.00 42.46 39.86 1ab2 s ILE 47 CO 0.10 0.40 0.26 -0.44 -1.23 0.00 0.00 174.94 174.03 1ab2 s SER 48 N 1.13 4.97 0.18 3.58 0.01 0.16 -0.47 113.70 123.25 1ab2 s SER 48 Ca -0.05 -2.51 0.02 0.00 1.31 0.00 0.00 55.95 54.72 1ab2 s SER 48 Cb -0.14 -1.76 -0.04 0.00 0.21 0.00 0.00 66.02 64.29 1ab2 s SER 48 CO -0.03 -0.40 0.33 -0.76 0.41 0.00 0.00 173.24 172.80 1ab2 s LEU 49 N 0.43 4.30 -0.06 2.44 1.02 0.72 0.07 118.68 127.59 1ab2 s LEU 49 Ca 0.13 0.24 -0.21 0.00 0.02 0.00 0.00 54.13 54.31 1ab2 s LEU 49 Cb -0.22 -2.99 0.04 0.00 0.02 0.00 0.00 46.19 43.04 1ab2 s LEU 49 CO -0.04 0.00 0.47 -0.60 0.02 0.00 0.00 176.35 176.20 1ab2 s ARG 50 N -3.37 0.78 0.00 1.70 3.52 0.15 0.29 118.95 122.02 1ab2 s ARG 50 Ca 0.36 0.12 0.00 0.00 -0.13 0.00 0.00 55.73 56.08 1ab2 s ARG 50 Cb -0.11 0.36 0.00 0.00 -1.56 0.00 0.00 34.95 33.64 1ab2 s ARG 50 CO 0.29 -0.21 0.00 0.66 -0.81 0.00 0.00 175.30 175.23 1ab2 n TYR 51 N 1.44 0.00 -1.19 5.12 4.02 0.34 0.46 117.16 127.36 1ab2 n TYR 51 Ca -0.19 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.52 1ab2 n TYR 51 Cb 0.56 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.77 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 0.00 2.13 0.00 -0.72 4.07 -0.70 -1.26 120.64 124.16 1ab2 n GLU 52 Ca 0.00 -1.55 0.00 0.00 -0.06 0.00 0.00 57.16 55.55 1ab2 n GLU 52 Cb 0.00 -2.01 0.00 0.00 -0.06 0.00 0.00 31.44 29.37 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 1.70 3.55 3.76 8.31 0.00 -1.26 -4.86 105.19 116.40 1ab2 n GLY 53 Ca 0.44 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 4.43 -0.21 1.61 3.52 -1.26 -4.88 118.95 122.15 1ab2 s ARG 54 Ca 0.00 2.10 -0.01 0.00 -0.13 0.00 0.00 55.73 57.69 1ab2 s ARG 54 Cb 0.00 -3.11 0.06 0.00 -1.56 0.00 0.00 34.95 30.34 1ab2 s ARG 54 CO 0.00 -0.09 -0.02 0.08 -0.81 0.00 0.00 175.30 174.46 1ab2 s VAL 55 N -1.03 1.11 0.02 7.11 1.01 -1.26 0.13 120.40 127.49 1ab2 s VAL 55 Ca 0.48 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 61.38 1ab2 s VAL 55 Cb -0.37 -1.46 -0.06 0.00 0.00 0.00 0.00 36.38 34.48 1ab2 s VAL 55 CO 0.49 -0.12 0.47 -0.31 0.00 0.00 0.00 175.10 175.62 1ab2 s TYR 56 N 1.59 3.75 -0.30 5.22 1.51 0.86 -4.92 117.35 125.06 1ab2 s TYR 56 Ca -0.03 1.10 0.01 0.00 -1.01 0.00 0.00 57.07 57.14 1ab2 s TYR 56 Cb -0.18 -2.38 0.07 0.00 -0.11 0.00 0.00 41.96 39.37 1ab2 s TYR 56 CO -0.07 0.61 -0.01 -1.01 -1.11 0.00 0.00 175.55 173.96 1ab2 s HIS 57 N -1.04 3.42 -0.29 2.71 3.76 -1.26 -0.20 115.29 122.38 1ab2 s HIS 57 Ca 0.26 -2.37 0.01 0.00 -0.15 0.00 0.00 55.06 52.81 1ab2 s HIS 57 Cb -0.18 -2.34 0.09 0.00 1.11 0.00 0.00 32.58 31.25 1ab2 s HIS 57 CO 0.15 -0.88 0.03 0.71 -0.85 0.00 0.00 174.74 173.90 1ab2 s TYR 58 N 1.10 2.52 0.31 1.40 1.51 0.38 -4.99 117.35 119.58 1ab2 s TYR 58 Ca -0.02 -2.09 -0.29 0.00 -1.01 0.00 0.00 57.07 53.67 1ab2 s TYR 58 Cb -0.20 -2.00 -0.10 0.00 -0.11 0.00 0.00 41.96 39.55 1ab2 s TYR 58 CO -0.05 -0.86 1.22 -0.98 -1.11 0.00 0.00 175.55 173.78 1ab2 s ARG 59 N 1.34 4.47 0.54 -0.62 1.70 -1.26 -1.47 118.95 123.64 1ab2 s ARG 59 Ca 0.05 2.05 -0.20 0.00 -0.47 0.00 0.00 55.73 57.15 1ab2 s ARG 59 Cb -0.18 -3.12 -0.06 0.00 -0.57 0.00 0.00 34.95 31.02 1ab2 s ARG 59 CO -0.13 -0.02 1.16 0.42 -1.08 0.00 0.00 175.30 175.65 1ab2 s ILE 60 N -1.15 2.98 0.03 4.99 1.01 -0.97 -4.85 121.20 123.24 1ab2 s ILE 60 Ca 0.47 0.64 0.03 0.00 0.00 0.00 0.00 60.65 61.79 1ab2 s ILE 60 Cb -0.36 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 1ab2 s ILE 60 CO 0.48 -0.10 -0.01 0.20 0.00 0.00 0.00 174.94 175.50 1ab2 s ASN 61 N -1.61 4.99 0.11 3.58 0.01 -1.26 -4.85 114.94 115.90 1ab2 s ASN 61 Ca 0.72 -0.08 0.06 0.00 -0.71 0.00 0.00 52.86 52.85 1ab2 s ASN 61 Cb -0.27 -1.24 -0.04 0.00 0.41 0.00 0.00 41.25 40.11 1ab2 s ASN 61 CO 0.31 0.25 -0.06 -0.89 -1.51 0.00 0.00 177.10 175.20 1ab2 s THR 62 N -1.13 3.59 -0.34 1.60 2.01 -1.26 -1.18 115.64 118.92 1ab2 s THR 62 Ca 0.21 -1.21 -0.06 0.00 0.31 0.00 0.00 61.69 60.94 1ab2 s THR 62 Cb -0.11 -2.70 -0.17 0.00 0.01 0.00 0.00 72.50 69.52 1ab2 s THR 62 CO 0.12 0.09 2.83 0.00 -0.69 0.00 0.00 174.62 176.97 1ab2 n ALA 63 N 0.57 5.45 -2.93 7.40 0.00 -0.64 -4.60 120.51 125.76 1ab2 n ALA 63 Ca -0.12 -1.79 -0.18 0.00 0.00 0.00 0.00 53.44 51.35 1ab2 n ALA 63 Cb 0.52 -2.54 -0.03 0.00 0.00 0.00 0.00 19.45 17.40 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 2.96 -1.04 0.10 0.00 2.88 -1.26 -4.35 113.62 112.92 1ab2 n SER 64 Ca 0.41 -0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1ab2 n SER 64 Cb 0.57 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1ab2 n SER 64 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1ab2 n ASP 65 N -1.29 -0.43 0.00 -3.46 8.00 -1.26 -5.07 116.55 113.04 1ab2 n ASP 65 Ca 0.05 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.91 1ab2 n ASP 65 Cb 0.33 0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.99 1ab2 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ab2 n GLY 66 N 1.18 0.88 3.74 0.44 0.00 -1.26 -5.14 105.19 105.02 1ab2 n GLY 66 Ca 0.00 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 2.69 -0.29 1.61 3.01 -1.26 -4.79 119.74 120.71 1ab2 s LYS 67 Ca 0.00 2.11 -0.10 0.00 -1.01 0.00 0.00 55.97 56.98 1ab2 s LYS 67 Cb 0.00 -1.95 -0.02 0.00 -1.01 0.00 0.00 37.83 34.85 1ab2 s LYS 67 CO 0.00 -1.50 0.14 -0.51 0.51 0.00 0.00 175.35 173.99 1ab2 s LEU 68 N -4.16 3.94 -0.22 3.17 1.43 0.85 -1.62 118.68 122.07 1ab2 s LEU 68 Ca 0.80 -0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 53.54 1ab2 s LEU 68 Cb -0.38 -2.01 0.07 0.00 0.03 0.00 0.00 46.19 43.90 1ab2 s LEU 68 CO 0.42 -0.12 0.08 -0.72 0.23 0.00 0.00 176.35 176.24 1ab2 s TYR 69 N 1.65 0.63 -0.45 0.29 1.13 -0.33 0.92 117.35 121.18 1ab2 s TYR 69 Ca 0.06 -0.76 0.26 0.00 -1.41 0.00 0.00 57.07 55.21 1ab2 s TYR 69 Cb -0.16 -0.95 0.97 0.00 -1.10 0.00 0.00 41.96 40.72 1ab2 s TYR 69 CO 0.07 -0.66 1.76 0.28 -2.51 0.00 0.00 175.55 174.49 1ab2 h VAL 70 N 6.45 0.00 -2.81 -3.49 2.07 -1.76 -3.40 116.25 113.31 1ab2 h VAL 70 Ca -0.16 -0.36 -0.14 0.00 0.82 0.00 0.00 66.70 66.86 1ab2 h VAL 70 Cb 1.09 1.20 -0.26 0.00 -1.52 0.00 0.00 31.29 31.80 1ab2 h VAL 70 CO 0.36 0.00 -0.33 -0.55 0.02 0.00 0.00 177.57 177.07 1ab2 s SER 71 N -4.59 -0.41 0.42 0.57 0.15 -1.19 -4.73 113.70 103.92 1ab2 s SER 71 Ca 0.05 0.75 0.21 0.00 0.70 0.00 0.00 55.95 57.67 1ab2 s SER 71 Cb 0.10 0.69 1.16 0.00 -1.71 0.00 0.00 66.02 66.26 1ab2 s SER 71 CO 0.47 -0.16 1.61 0.77 1.20 0.00 0.00 173.24 177.13 1ab2 h SER 72 N 6.45 0.00 1.07 5.45 4.64 -1.90 1.10 113.55 130.35 1ab2 h SER 72 Ca -0.33 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.94 1ab2 h SER 72 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 1ab2 h SER 72 CO 0.30 0.00 -0.96 -0.08 -0.87 0.00 0.00 176.83 175.22 1ab2 h GLU 73 N 0.00 0.00 -3.36 4.77 4.81 -1.94 -3.43 114.58 115.43 1ab2 h GLU 73 Ca 0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.70 1ab2 h GLU 73 Cb 0.39 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.37 1ab2 h GLU 73 CO 0.00 0.11 -0.76 -1.12 -0.73 0.00 0.00 179.01 176.51 1ab2 s SER 74 N -5.64 3.20 0.01 1.04 0.01 0.38 -5.12 113.70 107.57 1ab2 s SER 74 Ca 0.00 -1.06 0.09 0.00 1.31 0.00 0.00 55.95 56.29 1ab2 s SER 74 Cb 0.09 -0.57 -0.02 0.00 0.21 0.00 0.00 66.02 65.72 1ab2 s SER 74 CO 0.78 -0.36 -0.26 -0.13 0.41 0.00 0.00 173.24 173.68 1ab2 s ARG 75 N 1.88 1.96 0.20 12.44 0.52 -1.24 -3.14 118.95 131.57 1ab2 s ARG 75 Ca 0.03 -1.02 0.00 0.00 -0.52 0.00 0.00 55.73 54.23 1ab2 s ARG 75 Cb -0.17 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.25 1ab2 s ARG 75 CO -0.17 0.54 0.08 -0.06 0.02 0.00 0.00 175.30 175.71 1ab2 s PHE 76 N -0.71 1.25 -0.10 -0.53 0.08 0.26 -4.95 117.98 113.29 1ab2 s PHE 76 Ca 0.11 -1.22 0.14 0.00 0.12 0.00 0.00 56.93 56.08 1ab2 s PHE 76 Cb -0.10 -0.69 -0.21 0.00 -0.57 0.00 0.00 43.02 41.45 1ab2 s PHE 76 CO 0.01 -0.43 0.17 0.09 -0.10 0.00 0.00 175.22 174.95 1ab2 n ASN 77 N -0.30 1.33 -4.22 1.36 3.02 -1.26 0.29 115.26 115.48 1ab2 n ASN 77 Ca -0.02 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.25 1ab2 n ASN 77 Cb 0.65 1.22 -0.16 0.00 -0.61 0.00 0.00 39.78 40.88 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 -2.66 1.72 0.56 3.41 -1.32 -1.26 -4.46 115.64 111.63 1ab2 s THR 78 Ca -0.07 -0.91 0.33 0.00 -1.21 0.00 0.00 61.69 59.83 1ab2 s THR 78 Cb 0.07 -1.45 0.49 0.00 -1.51 0.00 0.00 72.50 70.10 1ab2 s THR 78 CO 0.63 0.49 1.79 0.25 -2.21 0.00 0.00 174.62 175.57 1ab2 h LEU 79 N 5.83 0.00 0.00 9.08 6.46 -1.93 -1.87 115.31 132.87 1ab2 h LEU 79 Ca -0.37 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 1ab2 h LEU 79 Cb 1.15 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.08 1ab2 h LEU 79 CO 0.48 0.00 0.00 0.00 -0.62 0.00 0.00 178.44 178.30 1ab2 n ALA 80 N -2.60 -0.23 -0.09 1.25 0.00 -1.26 -0.82 120.51 116.76 1ab2 n ALA 80 Ca 0.20 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.89 1ab2 n ALA 80 Cb 1.10 0.12 0.54 0.00 0.00 0.00 0.00 19.45 21.22 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 0.42 0.00 4.39 -1.76 0.79 114.58 118.41 1ab2 h GLU 81 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 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 -0.20 1.25 -1.16 0.00 0.00 179.01 178.90 1ab2 h LEU 82 N 0.00 -0.48 -0.34 1.33 5.85 -0.89 -1.61 115.31 119.17 1ab2 h LEU 82 Ca 0.37 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.88 1ab2 h LEU 82 Cb 2.26 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 43.40 1ab2 h LEU 82 CO -0.00 -0.08 -0.20 0.58 -0.34 0.00 0.00 178.44 178.39 1ab2 h VAL 83 N -0.96 1.29 -0.51 1.05 2.07 0.21 0.29 116.25 119.69 1ab2 h VAL 83 Ca -0.06 -1.33 0.10 0.00 0.82 0.00 0.00 66.70 66.23 1ab2 h VAL 83 Cb 0.56 1.43 -0.10 0.00 -1.52 0.00 0.00 31.29 31.65 1ab2 h VAL 83 CO 0.10 0.43 -0.22 0.45 0.02 0.00 0.00 177.57 178.35 1ab2 h HIS 84 N 0.50 -0.55 -0.17 1.57 3.86 0.22 1.79 115.15 122.38 1ab2 h HIS 84 Ca 0.07 0.05 -0.21 0.00 -1.16 0.00 0.00 60.37 59.13 1ab2 h HIS 84 Cb 0.75 0.32 0.01 0.00 1.06 0.00 0.00 27.41 29.55 1ab2 h HIS 84 CO 0.06 -0.30 -0.71 1.25 0.86 0.00 0.00 177.93 179.08 1ab2 h HIS 85 N -0.10 1.04 0.00 2.45 6.17 -1.21 -2.67 115.15 120.83 1ab2 h HIS 85 Ca 0.24 -0.45 0.00 0.00 0.71 0.00 0.00 60.37 60.87 1ab2 h HIS 85 Cb 0.47 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 30.24 1ab2 h HIS 85 CO -0.51 1.27 0.00 0.72 0.71 0.00 0.00 177.93 180.13 1ab2 n HIS 86 N -3.99 0.00 -0.03 5.26 -0.00 0.10 -0.18 115.22 116.39 1ab2 n HIS 86 Ca -0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.60 1ab2 n HIS 86 Cb 0.71 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.57 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 -0.50 0.53 -0.00 0.41 2.88 0.59 -3.30 113.62 114.24 1ab2 n SER 87 Ca 0.00 0.25 -0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1ab2 n SER 87 Cb 0.00 0.49 -0.00 0.00 -0.75 0.00 0.00 64.21 63.95 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 -2.85 0.02 -3.60 2.46 -2.24 -1.03 -4.74 114.28 102.31 1ab2 n THR 88 Ca -0.19 -0.01 -0.28 0.00 -2.27 0.00 0.00 64.05 61.30 1ab2 n THR 88 Cb 0.99 -0.77 -0.12 0.00 -2.10 0.00 0.00 70.33 68.33 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 -2.01 1.08 -0.70 2.28 1.01 0.75 -5.02 120.40 117.79 1ab2 s VAL 89 Ca -0.00 -2.68 -0.17 0.00 0.00 0.00 0.00 61.98 59.13 1ab2 s VAL 89 Cb 0.00 -1.75 -0.14 0.00 0.00 0.00 0.00 36.38 34.50 1ab2 s VAL 89 CO 0.01 -1.03 1.90 0.00 0.00 0.00 0.00 175.10 175.98 1ab2 n ALA 90 N 3.20 3.35 1.00 5.51 0.00 -1.25 -3.97 120.51 128.34 1ab2 n ALA 90 Ca 0.17 -2.73 0.00 0.00 0.00 0.00 0.00 53.44 50.88 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 6.60 2.05 0.06 0.00 9.92 -1.26 -4.11 116.55 129.81 1ab2 n ASP 91 Ca 0.45 -2.00 0.00 0.00 -0.53 0.00 0.00 54.79 52.72 1ab2 n ASP 91 Cb 0.31 -0.50 0.00 0.00 -0.64 0.00 0.00 41.12 40.29 1ab2 n ASP 91 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ab2 n GLY 92 N 0.26 -1.13 3.77 0.44 0.00 -1.26 -4.38 105.19 102.89 1ab2 n GLY 92 Ca 0.00 0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 -5.63 4.40 0.00 0.99 1.43 -1.26 -4.90 118.68 113.71 1ab2 s LEU 93 Ca 0.00 2.21 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 1ab2 s LEU 93 Cb 0.00 -3.82 0.00 0.00 0.03 0.00 0.00 46.19 42.40 1ab2 s LEU 93 CO 0.00 -0.29 0.43 0.00 0.23 0.00 0.00 176.35 176.72 1ab2 n ILE 94 N 0.73 0.00 -1.71 -0.59 3.06 -1.26 -4.68 119.36 114.90 1ab2 n ILE 94 Ca 0.01 0.93 -0.30 0.00 -2.50 0.00 0.00 62.75 60.89 1ab2 n ILE 94 Cb 0.46 -1.56 0.21 0.00 0.54 0.00 0.00 39.64 39.30 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 -0.87 1.88 -0.21 9.51 -1.32 -1.26 -4.92 115.64 118.45 1ab2 s THR 95 Ca 0.00 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.49 1ab2 s THR 95 Cb 0.00 -2.87 0.03 0.00 -1.51 0.00 0.00 72.50 68.15 1ab2 s THR 95 CO 0.00 0.00 -0.15 0.42 -2.21 0.00 0.00 174.62 172.68 1ab2 s THR 96 N -3.70 2.22 0.15 5.08 -4.23 -1.26 -4.82 115.64 109.08 1ab2 s THR 96 Ca 0.75 -1.16 -0.12 0.00 -1.18 0.00 0.00 61.69 59.98 1ab2 s THR 96 Cb -0.04 -2.08 -0.08 0.00 1.34 0.00 0.00 72.50 71.64 1ab2 s THR 96 CO 0.54 0.32 0.14 0.18 -0.54 0.00 0.00 174.62 175.26 1ab2 n LEU 97 N 4.57 -1.05 0.00 4.79 4.32 -1.21 -4.90 117.00 123.52 1ab2 n LEU 97 Ca -0.18 0.47 0.00 0.00 -0.02 0.00 0.00 56.01 56.27 1ab2 n LEU 97 Cb 0.47 -0.45 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 1ab2 n LEU 97 CO 0.25 -1.79 -0.42 0.00 -1.22 0.00 0.00 177.39 174.20 1ab2 n HIS 98 N -0.28 0.00 -3.39 -1.77 1.44 -1.26 -4.86 115.22 105.10 1ab2 n HIS 98 Ca 0.07 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.66 1ab2 n HIS 98 Cb 0.16 0.08 -0.09 0.00 0.12 0.00 0.00 29.99 30.26 1ab2 n HIS 98 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1ab2 s TYR 99 N -1.99 -0.67 -0.88 -1.40 1.13 -1.26 -5.09 117.35 107.18 1ab2 s TYR 99 Ca 0.00 0.66 -0.25 0.00 -1.41 0.00 0.00 57.07 56.07 1ab2 s TYR 99 Cb 0.00 -0.09 0.00 0.00 -1.10 0.00 0.00 41.96 40.77 1ab2 s TYR 99 CO 0.00 -0.69 1.65 -1.25 -2.51 0.00 0.00 175.55 172.75 1ab2 s PRO 100 N 2.48 3.03 -0.51 -3.49 0.04 -1.26 -4.39 135.00 130.91 1ab2 s PRO 100 Ca 0.11 -0.45 -0.37 0.00 0.04 0.00 0.00 61.00 60.33 1ab2 s PRO 100 Cb -0.15 -4.94 -0.15 0.00 0.04 0.00 0.00 34.50 29.29 1ab2 s PRO 100 CO -0.15 -2.68 2.27 0.00 0.04 0.00 0.00 177.00 176.48 1ab2 n ALA 101 N 11.27 0.65 -1.78 8.56 0.00 -1.15 -4.21 120.51 133.85 1ab2 n ALA 101 Ca 0.29 -0.07 -0.34 0.00 0.00 0.00 0.00 53.44 53.33 1ab2 n ALA 101 Cb 0.49 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.52 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 6.70 3.76 -0.45 0.00 0.04 -0.98 -4.35 135.00 139.73 1ab2 s PRO 102 Ca 1.16 1.33 -0.28 0.00 0.04 0.00 0.00 61.00 63.25 1ab2 s PRO 102 Cb -1.09 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 31.35 1ab2 s PRO 102 CO 0.53 -0.46 1.65 0.15 0.04 0.00 0.00 177.00 178.92 1ab2 s LYS 103 N -3.34 3.24 -0.21 4.56 -0.14 -1.26 -4.81 119.74 117.77 1ab2 s LYS 103 Ca 0.67 0.98 -0.16 0.00 -1.36 0.00 0.00 55.97 56.09 1ab2 s LYS 103 Cb -0.16 -4.18 -0.08 0.00 -1.68 0.00 0.00 37.83 31.73 1ab2 s LYS 103 CO 0.22 -1.98 -0.33 0.54 -0.76 0.00 0.00 175.35 173.04 1ab2 n ARG 104 N 8.54 0.55 0.00 1.68 1.74 -1.26 -5.03 116.66 122.87 1ab2 n ARG 104 Ca 0.19 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 1ab2 n ARG 104 Cb 0.49 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 1ab2 n ARG 104 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ab2 n GLY 105 N 1.40 1.64 3.55 -0.13 0.00 -1.26 -4.73 105.19 105.66 1ab2 n GLY 105 Ca -0.27 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 1ab2 n GLY 105 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ab2 s ILE 106 N 0.00 3.06 -0.37 -0.61 1.10 -1.26 -5.10 121.20 118.01 1ab2 s ILE 106 Ca 0.00 -1.77 0.06 0.00 -0.51 0.00 0.00 60.65 58.43 1ab2 s ILE 106 Cb 0.00 -2.52 0.18 0.00 0.15 0.00 0.00 42.46 40.26 1ab2 s ILE 106 CO 0.00 -0.15 0.55 -1.38 -2.11 0.00 0.00 174.94 171.85 1ab2 s HIS 107 N -1.79 -1.39 0.00 3.50 -3.43 -1.26 -4.99 115.29 105.93 1ab2 s HIS 107 Ca 0.25 0.18 0.00 0.00 -0.80 0.00 0.00 55.06 54.69 1ab2 s HIS 107 Cb -0.08 0.12 0.00 0.00 -1.43 0.00 0.00 32.58 31.19 1ab2 s HIS 107 CO 0.15 -1.10 0.00 2.89 -2.00 0.00 0.00 174.74 174.67 1ab2 n ARG 108 N 4.64 0.11 0.00 -0.38 1.85 -1.26 -5.30 116.66 116.32 1ab2 n ARG 108 Ca 0.09 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 57.03 1ab2 n ARG 108 Cb 0.53 -0.77 0.08 0.00 -1.05 0.00 0.00 32.46 31.25 1ab2 n ARG 108 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22