#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 0.00 0.00 1.61 7.64 -1.26 -4.78 113.62 116.83 1ab2 n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ab2 n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 1.22 3.66 0.23 0.00 -1.26 -4.87 105.19 104.17 1ab2 n GLY 3 Ca 0.00 0.06 -0.64 0.00 0.00 0.00 0.00 46.02 45.44 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 2.59 0.83 0.00 1.61 6.94 -1.26 -4.31 115.26 121.66 1ab2 n ASN 4 Ca 0.00 1.18 0.00 0.00 -0.02 0.00 0.00 54.58 55.74 1ab2 n ASN 4 Cb 0.00 -0.91 0.00 0.00 -2.36 0.00 0.00 39.78 36.51 1ab2 n ASN 4 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1ab2 n SER 5 N 3.15 0.00 -1.32 0.53 3.41 -1.26 -4.96 113.62 113.18 1ab2 n SER 5 Ca 0.27 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 59.05 1ab2 n SER 5 Cb -0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1ab2 n SER 5 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ab2 n LEU 6 N 0.00 -0.83 -3.50 1.04 4.77 -1.26 -4.01 117.00 113.21 1ab2 n LEU 6 Ca 0.00 1.91 -0.38 0.00 -0.03 0.00 0.00 56.01 57.51 1ab2 n LEU 6 Cb 0.00 -3.97 -0.03 0.00 -2.33 0.00 0.00 43.42 37.09 1ab2 n LEU 6 CO 0.00 -2.59 2.58 -0.62 -1.33 0.00 0.00 177.39 175.43 1ab2 n GLU 7 N -4.15 2.44 0.00 3.23 4.71 -1.26 -4.24 120.64 121.37 1ab2 n GLU 7 Ca -0.05 -2.06 0.00 0.00 -0.01 0.00 0.00 57.16 55.05 1ab2 n GLU 7 Cb 0.62 -2.91 0.00 0.00 -1.01 0.00 0.00 31.44 28.13 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 5.51 0.00 -0.80 3.49 4.81 -0.91 -4.92 118.16 125.34 1ab2 n LYS 8 Ca 0.55 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.75 1ab2 n LYS 8 Cb 0.31 0.00 0.20 0.00 0.02 0.00 0.00 35.03 35.56 1ab2 n LYS 8 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1ab2 n HIS 9 N 0.00 -3.70 1.84 5.64 8.25 -1.26 -4.84 115.22 121.15 1ab2 n HIS 9 Ca 0.00 -0.79 0.03 0.00 -0.26 0.00 0.00 57.72 56.70 1ab2 n HIS 9 Cb 0.00 -0.92 0.16 0.00 1.12 0.00 0.00 29.99 30.35 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 -4.55 0.28 0.00 0.41 7.64 -1.26 -2.34 113.62 113.79 1ab2 n SER 10 Ca 0.12 -1.85 0.00 0.00 1.01 0.00 0.00 58.87 58.15 1ab2 n SER 10 Cb 0.47 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 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 -0.42 0.00 -3.94 1.43 4.27 -1.26 -4.12 117.44 113.40 1ab2 n TRP 11 Ca 0.05 0.00 -0.31 0.00 -3.89 0.00 0.00 57.50 53.35 1ab2 n TRP 11 Cb 0.06 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 29.87 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 -0.13 3.34 -0.22 -2.67 5.04 -0.99 -3.16 117.35 118.55 1ab2 s TYR 12 Ca 0.00 -3.08 0.13 0.00 -2.44 0.00 0.00 57.07 51.68 1ab2 s TYR 12 Cb 0.00 -2.89 0.46 0.00 0.35 0.00 0.00 41.96 39.88 1ab2 s TYR 12 CO 0.00 -0.80 1.36 -2.39 -1.34 0.00 0.00 175.55 172.38 1ab2 n HIS 13 N 3.42 0.70 -0.23 4.97 1.44 -1.26 -2.15 115.22 122.10 1ab2 n HIS 13 Ca 0.05 -1.30 0.00 0.00 -2.01 0.00 0.00 57.72 54.46 1ab2 n HIS 13 Cb 0.35 -0.35 0.00 0.00 0.12 0.00 0.00 29.99 30.11 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 -1.03 -1.74 3.62 -1.39 0.00 -1.26 -4.89 105.19 98.50 1ab2 n GLY 14 Ca 0.25 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 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 0.00 3.77 -0.12 1.61 0.04 -1.26 -4.54 135.00 134.50 1ab2 s PRO 15 Ca 0.00 1.16 -0.00 0.00 0.04 0.00 0.00 61.00 62.19 1ab2 s PRO 15 Cb 0.00 -3.95 0.02 0.00 0.04 0.00 0.00 34.50 30.62 1ab2 s PRO 15 CO 0.00 -1.31 -0.10 0.54 0.04 0.00 0.00 177.00 176.17 1ab2 s VAL 16 N 4.85 1.21 0.16 -0.36 0.11 -1.26 -4.96 120.40 120.15 1ab2 s VAL 16 Ca 0.59 -0.40 -0.34 0.00 -2.93 0.00 0.00 61.98 58.90 1ab2 s VAL 16 Cb -0.16 -1.19 -0.15 0.00 -1.53 0.00 0.00 36.38 33.35 1ab2 s VAL 16 CO 0.27 0.40 1.28 -1.54 -3.33 0.00 0.00 175.10 172.18 1ab2 n SER 17 N 4.88 1.79 -0.29 3.54 3.41 -1.26 -4.64 113.62 121.05 1ab2 n SER 17 Ca -0.14 1.13 0.16 0.00 -0.26 0.00 0.00 58.87 59.76 1ab2 n SER 17 Cb 0.50 -1.26 0.42 0.00 -0.26 0.00 0.00 64.21 63.61 1ab2 n SER 17 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1ab2 h ARG 18 N 3.99 0.57 -0.32 4.33 -0.00 -1.97 0.62 114.38 121.61 1ab2 h ARG 18 Ca -0.45 -0.03 0.07 0.00 -0.50 0.00 0.00 59.98 59.07 1ab2 h ARG 18 Cb 1.32 -0.13 -0.07 0.00 0.00 0.00 0.00 29.97 31.10 1ab2 h ARG 18 CO 0.74 0.38 -0.11 -0.91 0.00 0.00 0.00 179.97 180.07 1ab2 h ASN 19 N 0.59 -0.40 -0.33 7.04 2.35 -2.01 -0.80 115.58 122.03 1ab2 h ASN 19 Ca 0.51 0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 56.33 1ab2 h ASN 19 Cb 1.00 0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.60 1ab2 h ASN 19 CO -0.25 -0.15 0.06 0.00 -1.65 0.00 0.00 177.43 175.44 1ab2 h ALA 20 N 1.25 0.43 -0.95 -0.83 0.00 -1.30 -2.55 119.26 115.31 1ab2 h ALA 20 Ca 0.16 -0.19 0.29 0.00 0.00 0.00 0.00 54.91 55.17 1ab2 h ALA 20 Cb 0.29 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 17.81 1ab2 h ALA 20 CO -0.36 0.12 0.39 0.00 0.00 0.00 0.00 179.25 179.40 1ab2 h ALA 21 N 0.90 1.63 -0.44 0.00 0.00 0.01 2.01 119.26 123.37 1ab2 h ALA 21 Ca 0.10 0.22 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 1ab2 h ALA 21 Cb 0.34 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1ab2 h ALA 21 CO 0.01 -0.56 -0.22 0.93 0.00 0.00 0.00 179.25 179.41 1ab2 h GLU 22 N 0.22 0.88 0.24 0.00 5.08 -0.80 -2.12 114.58 118.08 1ab2 h GLU 22 Ca 0.66 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1ab2 h GLU 22 Cb 1.46 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1ab2 h GLU 22 CO -0.67 1.01 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.32 1ab2 h TYR 23 N 0.76 -0.30 -0.96 4.33 5.03 0.20 -3.14 116.97 122.89 1ab2 h TYR 23 Ca 0.10 -0.01 0.31 0.00 2.58 0.00 0.00 58.73 61.71 1ab2 h TYR 23 Cb 0.76 0.10 -0.16 0.00 1.55 0.00 0.00 36.73 38.98 1ab2 h TYR 23 CO 0.04 -0.19 0.36 1.25 -1.32 0.00 0.00 178.16 178.31 1ab2 h LEU 24 N -1.01 0.12 0.00 2.82 6.46 0.24 -1.90 115.31 122.05 1ab2 h LEU 24 Ca -0.03 0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1ab2 h LEU 24 Cb 0.25 0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 1ab2 h LEU 24 CO 0.05 -0.25 0.00 0.18 -0.62 0.00 0.00 178.44 177.80 1ab2 n LEU 25 N -5.24 0.00 -1.67 2.25 4.77 -0.80 -4.98 117.00 111.34 1ab2 n LEU 25 Ca 0.28 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.88 1ab2 n LEU 25 Cb 0.92 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 1ab2 n LEU 25 CO 0.03 -0.12 -0.49 -0.24 -1.33 0.00 0.00 177.39 175.24 1ab2 n SER 26 N -1.09 -8.87 -2.92 -1.43 2.88 -0.72 -4.79 113.62 96.68 1ab2 n SER 26 Ca 0.00 1.65 -0.29 0.00 -1.33 0.00 0.00 58.87 58.91 1ab2 n SER 26 Cb 0.00 -5.26 0.03 0.00 -0.75 0.00 0.00 64.21 58.23 1ab2 n SER 26 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ab2 n SER 27 N -1.85 -4.28 -4.72 -3.46 2.88 -1.26 -4.84 113.62 96.09 1ab2 n SER 27 Ca 0.00 -0.10 -0.41 0.00 -1.33 0.00 0.00 58.87 57.04 1ab2 n SER 27 Cb 0.27 -1.23 -0.04 0.00 -0.75 0.00 0.00 64.21 62.46 1ab2 n SER 27 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ab2 s GLY 28 N -1.09 2.78 0.29 0.46 0.00 -1.26 -5.04 107.32 103.45 1ab2 s GLY 28 Ca 0.28 0.32 -0.05 0.00 0.00 0.00 0.00 44.72 45.27 1ab2 s GLY 28 CO 0.63 1.33 0.39 0.29 0.00 0.00 0.00 173.10 175.75 1ab2 n ILE 29 N 3.51 0.00 0.90 0.90 -5.35 -1.24 -4.42 119.36 113.66 1ab2 n ILE 29 Ca 0.01 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 1ab2 n ILE 29 Cb 0.51 -1.83 0.00 0.00 -1.74 0.00 0.00 39.64 36.58 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 -3.27 2.56 0.00 7.28 4.13 -1.26 -4.30 115.26 120.40 1ab2 n ASN 30 Ca 0.05 -1.80 0.00 0.00 1.68 0.00 0.00 54.58 54.51 1ab2 n ASN 30 Cb 0.17 -0.45 0.00 0.00 -1.54 0.00 0.00 39.78 37.96 1ab2 n ASN 30 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ab2 n GLY 31 N 0.51 -0.78 3.27 7.41 0.00 -1.26 -5.06 105.19 109.28 1ab2 n GLY 31 Ca 0.00 0.83 -0.10 0.00 0.00 0.00 0.00 46.02 46.74 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 -0.49 0.15 1.61 1.04 -0.90 -4.06 113.70 111.05 1ab2 s SER 32 Ca 0.00 0.89 0.03 0.00 0.48 0.00 0.00 55.95 57.35 1ab2 s SER 32 Cb 0.00 0.80 -0.04 0.00 0.10 0.00 0.00 66.02 66.88 1ab2 s SER 32 CO 0.00 -0.20 -0.06 -0.36 0.98 0.00 0.00 173.24 173.61 1ab2 s PHE 33 N 1.49 1.17 0.24 5.02 0.40 -1.26 0.17 117.98 125.21 1ab2 s PHE 33 Ca -0.09 -0.88 -0.00 0.00 -0.60 0.00 0.00 56.93 55.35 1ab2 s PHE 33 Cb -0.09 -0.64 -0.03 0.00 0.51 0.00 0.00 43.02 42.77 1ab2 s PHE 33 CO -0.13 -0.07 0.21 -0.51 0.70 0.00 0.00 175.22 175.42 1ab2 s LEU 34 N -3.15 1.20 0.04 -0.37 1.43 0.62 -4.81 118.68 113.64 1ab2 s LEU 34 Ca 0.18 -1.43 0.03 0.00 -1.03 0.00 0.00 54.13 51.88 1ab2 s LEU 34 Cb 0.04 0.58 -0.02 0.00 0.03 0.00 0.00 46.19 46.82 1ab2 s LEU 34 CO 0.01 -0.93 -0.10 -0.69 0.23 0.00 0.00 176.35 174.86 1ab2 s VAL 35 N -3.95 0.78 0.20 -1.59 1.01 -1.19 0.18 120.40 115.84 1ab2 s VAL 35 Ca 0.38 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.46 1ab2 s VAL 35 Cb 0.05 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 1ab2 s VAL 35 CO 0.15 -0.17 -0.12 -0.60 0.00 0.00 0.00 175.10 174.37 1ab2 s ARG 36 N -1.26 1.29 0.26 2.72 3.00 -0.31 -4.75 118.95 119.90 1ab2 s ARG 36 Ca -0.04 -1.58 0.11 0.00 -1.00 0.00 0.00 55.73 53.22 1ab2 s ARG 36 Cb -0.08 -0.98 -0.05 0.00 0.00 0.00 0.00 34.95 33.84 1ab2 s ARG 36 CO 0.01 0.13 -0.16 -2.00 0.00 0.00 0.00 175.30 173.28 1ab2 s GLU 37 N -3.69 1.81 0.86 5.12 2.12 -1.26 0.46 118.70 124.11 1ab2 s GLU 37 Ca 0.22 -1.65 -0.16 0.00 0.36 0.00 0.00 54.97 53.74 1ab2 s GLU 37 Cb 0.01 -1.87 -0.10 0.00 0.26 0.00 0.00 34.13 32.42 1ab2 s GLU 37 CO 0.06 0.35 -0.29 -1.13 -0.54 0.00 0.00 175.26 173.71 1ab2 n SER 38 N -0.56 -4.28 0.00 -1.70 3.41 0.26 -4.75 113.62 106.00 1ab2 n SER 38 Ca -0.06 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1ab2 n SER 38 Cb 0.59 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 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 1.17 1.27 -0.24 4.33 0.00 -1.26 -4.76 120.64 121.15 1ab2 n GLU 39 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.19 1ab2 n GLU 39 Cb 0.53 -0.83 0.00 0.00 0.00 0.00 0.00 31.44 31.15 1ab2 n GLU 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1ab2 n SER 40 N -1.82 0.00 -4.25 4.31 7.64 -1.26 -4.56 113.62 113.69 1ab2 n SER 40 Ca 0.00 -1.43 -0.30 0.00 1.01 0.00 0.00 58.87 58.15 1ab2 n SER 40 Cb 0.33 -0.09 -0.16 0.00 -1.01 0.00 0.00 64.21 63.28 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 -0.43 2.79 -0.34 6.43 0.01 -1.26 -5.09 113.70 115.81 1ab2 s SER 41 Ca 0.00 -0.45 -0.29 0.00 1.31 0.00 0.00 55.95 56.52 1ab2 s SER 41 Cb 0.00 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.65 1ab2 s SER 41 CO 0.00 0.25 1.37 -2.16 0.41 0.00 0.00 173.24 173.10 1ab2 s PRO 42 N -0.29 3.78 -0.63 12.44 0.04 -1.26 -3.68 135.00 145.40 1ab2 s PRO 42 Ca 0.02 1.16 -0.03 0.00 0.04 0.00 0.00 61.00 62.19 1ab2 s PRO 42 Cb -0.11 -3.95 -0.03 0.00 0.04 0.00 0.00 34.50 30.45 1ab2 s PRO 42 CO 0.02 -1.30 0.57 0.41 0.04 0.00 0.00 177.00 176.73 1ab2 n GLY 43 N 4.62 -0.63 3.19 0.56 0.00 -1.26 -5.06 105.19 106.61 1ab2 n GLY 43 Ca 0.16 0.28 -0.21 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.61 1.00 0.12 1.61 1.11 -1.24 -5.03 119.66 113.62 1ab2 s GLN 44 Ca 0.20 -0.90 0.05 0.00 0.01 0.00 0.00 55.36 54.72 1ab2 s GLN 44 Cb -0.03 -1.07 -0.04 0.00 -1.01 0.00 0.00 33.01 30.86 1ab2 s GLN 44 CO 0.50 0.26 -0.12 1.03 0.01 0.00 0.00 175.29 176.97 1ab2 s ARG 45 N -1.42 0.98 0.15 2.91 3.00 -1.26 0.89 118.95 124.20 1ab2 s ARG 45 Ca 0.02 -1.28 0.01 0.00 0.00 0.00 0.00 55.73 54.48 1ab2 s ARG 45 Cb -0.09 -0.70 -0.04 0.00 0.00 0.00 0.00 34.95 34.12 1ab2 s ARG 45 CO 0.02 0.11 -0.00 -1.12 0.00 0.00 0.00 175.30 174.31 1ab2 s SER 46 N -2.69 1.07 0.06 0.23 0.01 0.17 -1.12 113.70 111.43 1ab2 s SER 46 Ca 0.10 -1.15 0.09 0.00 1.31 0.00 0.00 55.95 56.31 1ab2 s SER 46 Cb -0.02 0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.32 1ab2 s SER 46 CO 0.01 -0.57 -0.26 -0.63 0.41 0.00 0.00 173.24 172.20 1ab2 s ILE 47 N -3.71 2.09 -0.01 1.44 -1.09 0.12 -1.17 121.20 118.87 1ab2 s ILE 47 Ca 0.22 -1.42 0.04 0.00 -2.23 0.00 0.00 60.65 57.26 1ab2 s ILE 47 Cb 0.06 -1.80 -0.01 0.00 -1.58 0.00 0.00 42.46 39.13 1ab2 s ILE 47 CO 0.02 0.30 -0.14 -0.44 -1.23 0.00 0.00 174.94 173.45 1ab2 s SER 48 N -1.36 1.62 0.06 3.58 0.01 0.48 0.27 113.70 118.36 1ab2 s SER 48 Ca 0.11 -0.25 0.04 0.00 1.31 0.00 0.00 55.95 57.16 1ab2 s SER 48 Cb -0.10 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.90 1ab2 s SER 48 CO 0.03 0.16 -0.11 -0.76 0.41 0.00 0.00 173.24 172.97 1ab2 s LEU 49 N -0.29 2.28 -0.08 2.44 2.01 0.12 0.23 118.68 125.39 1ab2 s LEU 49 Ca 0.05 -0.61 -0.05 0.00 0.01 0.00 0.00 54.13 53.54 1ab2 s LEU 49 Cb -0.06 -0.37 0.04 0.00 0.01 0.00 0.00 46.19 45.81 1ab2 s LEU 49 CO -0.00 -0.14 0.19 -0.60 1.01 0.00 0.00 176.35 176.81 1ab2 s ARG 50 N -1.76 0.16 0.00 1.70 3.00 0.46 0.19 118.95 122.71 1ab2 s ARG 50 Ca -0.04 0.40 0.00 0.00 -1.00 0.00 0.00 55.73 55.09 1ab2 s ARG 50 Cb -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 34.95 34.76 1ab2 s ARG 50 CO 0.01 -0.13 0.00 0.66 0.00 0.00 0.00 175.30 175.84 1ab2 n TYR 51 N 3.93 0.00 -3.34 5.12 4.02 -0.55 -2.11 117.16 124.23 1ab2 n TYR 51 Ca -0.23 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.54 1ab2 n TYR 51 Cb 0.54 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.79 1ab2 n TYR 51 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1ab2 s GLU 52 N -0.33 0.38 -1.04 -0.72 0.41 -1.26 -3.67 118.70 112.47 1ab2 s GLU 52 Ca 0.00 0.05 0.00 0.00 -0.41 0.00 0.00 54.97 54.61 1ab2 s GLU 52 Cb 0.00 -0.43 0.00 0.00 -1.78 0.00 0.00 34.13 31.92 1ab2 s GLU 52 CO 0.00 -1.02 0.00 0.41 -0.49 0.00 0.00 175.26 174.16 1ab2 n GLY 53 N 5.34 1.06 3.13 -1.39 0.00 -1.26 -4.95 105.19 107.12 1ab2 n GLY 53 Ca -0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.63 0.25 -0.14 1.61 1.81 -1.26 -5.12 118.95 113.47 1ab2 s ARG 54 Ca 0.00 0.79 0.03 0.00 -1.72 0.00 0.00 55.73 54.83 1ab2 s ARG 54 Cb 0.00 0.05 0.01 0.00 -0.45 0.00 0.00 34.95 34.56 1ab2 s ARG 54 CO 0.00 -0.23 -0.22 0.54 -0.68 0.00 0.00 175.30 174.71 1ab2 s VAL 55 N 2.07 2.07 0.13 3.52 0.11 -1.26 -1.48 120.40 125.56 1ab2 s VAL 55 Ca -0.03 -0.98 -0.07 0.00 -2.93 0.00 0.00 61.98 57.97 1ab2 s VAL 55 Cb -0.11 -1.83 -0.06 0.00 -1.53 0.00 0.00 36.38 32.86 1ab2 s VAL 55 CO -0.10 0.55 0.40 -0.31 -3.33 0.00 0.00 175.10 172.31 1ab2 s TYR 56 N 0.79 3.51 -0.25 1.54 1.51 0.50 -4.89 117.35 120.06 1ab2 s TYR 56 Ca -0.08 0.67 0.02 0.00 -1.01 0.00 0.00 57.07 56.68 1ab2 s TYR 56 Cb -0.16 -2.09 0.06 0.00 -0.11 0.00 0.00 41.96 39.67 1ab2 s TYR 56 CO -0.01 0.45 -0.08 -1.01 -1.11 0.00 0.00 175.55 173.79 1ab2 s HIS 57 N -1.58 2.91 -0.30 2.71 3.76 -1.26 0.16 115.29 121.68 1ab2 s HIS 57 Ca 0.39 -2.11 0.02 0.00 -0.15 0.00 0.00 55.06 53.21 1ab2 s HIS 57 Cb -0.13 -1.82 0.08 0.00 1.11 0.00 0.00 32.58 31.83 1ab2 s HIS 57 CO 0.22 -0.84 0.01 -0.47 -0.85 0.00 0.00 174.74 172.80 1ab2 s TYR 58 N 1.22 3.07 0.75 1.40 5.04 0.14 -4.97 117.35 124.01 1ab2 s TYR 58 Ca -0.07 -2.43 -0.15 0.00 -2.44 0.00 0.00 57.07 51.98 1ab2 s TYR 58 Cb -0.19 -2.28 0.03 0.00 0.35 0.00 0.00 41.96 39.87 1ab2 s TYR 58 CO -0.06 -0.89 1.06 2.89 -1.34 0.00 0.00 175.55 177.22 1ab2 n ARG 59 N 4.46 0.44 -2.58 4.97 1.85 -1.26 0.11 116.66 124.65 1ab2 n ARG 59 Ca -0.04 0.21 -0.40 0.00 -1.00 0.00 0.00 57.85 56.62 1ab2 n ARG 59 Cb 0.42 -2.32 -0.05 0.00 -1.05 0.00 0.00 32.46 29.47 1ab2 n ARG 59 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1ab2 s ILE 60 N -1.89 3.78 -0.13 8.89 -1.09 -0.27 -4.62 121.20 125.86 1ab2 s ILE 60 Ca 0.74 1.74 -0.07 0.00 -2.23 0.00 0.00 60.65 60.83 1ab2 s ILE 60 Cb -0.33 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 1ab2 s ILE 60 CO 0.50 0.39 0.12 0.20 -1.23 0.00 0.00 174.94 174.92 1ab2 s ASN 61 N -0.83 6.20 0.05 3.58 0.01 -1.26 -4.82 114.94 117.87 1ab2 s ASN 61 Ca 0.44 0.39 0.05 0.00 -0.71 0.00 0.00 52.86 53.02 1ab2 s ASN 61 Cb -0.29 -2.00 -0.04 0.00 0.41 0.00 0.00 41.25 39.34 1ab2 s ASN 61 CO 0.37 0.37 -0.07 -0.89 -1.51 0.00 0.00 177.10 175.37 1ab2 s THR 62 N -0.79 3.62 -0.00 1.60 2.01 -1.26 -0.30 115.64 120.51 1ab2 s THR 62 Ca 0.13 -0.96 -0.18 0.00 0.31 0.00 0.00 61.69 61.00 1ab2 s THR 62 Cb -0.12 -2.63 -0.10 0.00 0.01 0.00 0.00 72.50 69.66 1ab2 s THR 62 CO 0.03 0.27 0.87 0.00 -0.69 0.00 0.00 174.62 175.09 1ab2 h ALA 63 N 4.08 -0.77 0.00 7.40 0.00 -1.78 -3.46 119.26 124.72 1ab2 h ALA 63 Ca -0.48 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ab2 h ALA 63 Cb 1.17 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1ab2 h ALA 63 CO 0.54 -0.73 0.00 -1.13 0.00 0.00 0.00 179.25 177.94 1ab2 n SER 64 N -4.59 0.00 -0.04 0.00 3.41 -1.26 -4.98 113.62 106.16 1ab2 n SER 64 Ca -0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.40 1ab2 n SER 64 Cb 0.25 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.12 1ab2 n SER 64 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1ab2 h ASP 65 N 0.00 0.24 0.00 4.04 3.04 -2.04 -3.47 116.42 118.23 1ab2 h ASP 65 Ca 0.00 -0.46 0.00 0.00 -3.24 0.00 0.00 57.03 53.33 1ab2 h ASP 65 Cb 0.00 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.22 1ab2 h ASP 65 CO 0.00 0.65 0.00 0.61 -2.04 0.00 0.00 179.24 178.46 1ab2 n GLY 66 N 0.15 0.23 3.60 7.15 0.00 -1.26 -5.14 105.19 109.92 1ab2 n GLY 66 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 0.56 -3.63 1.61 5.02 -1.26 -4.83 118.16 115.64 1ab2 n LYS 67 Ca 0.00 0.24 -0.39 0.00 -2.02 0.00 0.00 58.31 56.14 1ab2 n LYS 67 Cb 0.00 -2.18 -0.11 0.00 -0.02 0.00 0.00 35.03 32.72 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 -2.66 4.22 -0.19 -0.35 1.02 0.88 -2.56 118.68 119.04 1ab2 s LEU 68 Ca 0.73 -0.52 -0.02 0.00 0.02 0.00 0.00 54.13 54.34 1ab2 s LEU 68 Cb -0.36 -2.03 0.06 0.00 0.02 0.00 0.00 46.19 43.88 1ab2 s LEU 68 CO 0.50 -0.21 0.02 -0.72 0.02 0.00 0.00 176.35 175.96 1ab2 s TYR 69 N 1.63 1.18 -0.51 0.29 1.13 0.59 0.15 117.35 121.82 1ab2 s TYR 69 Ca 0.05 -0.92 0.25 0.00 -1.41 0.00 0.00 57.07 55.04 1ab2 s TYR 69 Cb -0.17 -1.08 0.93 0.00 -1.10 0.00 0.00 41.96 40.53 1ab2 s TYR 69 CO 0.07 -0.61 1.76 0.28 -2.51 0.00 0.00 175.55 174.54 1ab2 h VAL 70 N 6.51 0.00 -2.76 -3.49 2.07 -1.74 -3.41 116.25 113.44 1ab2 h VAL 70 Ca -0.17 -0.39 -0.13 0.00 0.82 0.00 0.00 66.70 66.84 1ab2 h VAL 70 Cb 1.12 1.25 -0.26 0.00 -1.52 0.00 0.00 31.29 31.88 1ab2 h VAL 70 CO 0.34 0.00 -0.30 -0.55 0.02 0.00 0.00 177.57 177.08 1ab2 s SER 71 N -4.59 -0.44 0.01 0.57 0.15 -1.19 -4.50 113.70 103.70 1ab2 s SER 71 Ca 0.06 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.52 1ab2 s SER 71 Cb 0.10 0.74 0.02 0.00 -1.71 0.00 0.00 66.02 65.17 1ab2 s SER 71 CO 0.49 -0.16 0.92 -1.20 1.20 0.00 0.00 173.24 174.49 1ab2 n SER 72 N 3.65 0.01 0.05 5.45 7.64 -1.26 0.13 113.62 129.28 1ab2 n SER 72 Ca -0.19 0.41 0.04 0.00 1.01 0.00 0.00 58.87 60.14 1ab2 n SER 72 Cb 0.56 -0.41 -0.06 0.00 -1.01 0.00 0.00 64.21 63.29 1ab2 n SER 72 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ab2 n GLU 73 N -1.42 0.62 -3.74 1.43 1.02 -1.26 -4.82 120.64 112.46 1ab2 n GLU 73 Ca -0.00 0.16 -0.21 0.00 -0.02 0.00 0.00 57.16 57.09 1ab2 n GLU 73 Cb 0.10 -1.79 -0.18 0.00 -0.02 0.00 0.00 31.44 29.55 1ab2 n GLU 73 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1ab2 s SER 74 N -5.55 1.25 0.03 1.62 0.01 0.34 -5.14 113.70 106.25 1ab2 s SER 74 Ca -0.02 -0.00 0.07 0.00 1.31 0.00 0.00 55.95 57.31 1ab2 s SER 74 Cb 0.09 -0.28 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 1ab2 s SER 74 CO 0.81 -0.21 -0.22 -0.13 0.41 0.00 0.00 173.24 173.90 1ab2 s ARG 75 N 1.96 1.54 0.28 12.44 0.52 -1.26 -3.20 118.95 131.23 1ab2 s ARG 75 Ca 0.03 -0.92 0.03 0.00 -0.52 0.00 0.00 55.73 54.35 1ab2 s ARG 75 Cb -0.12 -1.62 -0.04 0.00 0.52 0.00 0.00 34.95 33.69 1ab2 s ARG 75 CO -0.04 0.42 0.18 -0.06 0.02 0.00 0.00 175.30 175.83 1ab2 s PHE 76 N -0.73 1.51 -0.00 -0.53 0.08 0.40 -4.94 117.98 113.78 1ab2 s PHE 76 Ca 0.08 -1.45 0.00 0.00 0.12 0.00 0.00 56.93 55.68 1ab2 s PHE 76 Cb -0.09 -0.73 -0.00 0.00 -0.57 0.00 0.00 43.02 41.63 1ab2 s PHE 76 CO 0.01 -0.65 -0.00 0.09 -0.10 0.00 0.00 175.22 174.57 1ab2 n ASN 77 N -0.90 4.43 -4.38 1.36 3.02 -1.26 0.30 115.26 117.83 1ab2 n ASN 77 Ca 0.03 -0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.25 1ab2 n ASN 77 Cb 0.65 0.22 -0.14 0.00 -0.61 0.00 0.00 39.78 39.90 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 -2.00 3.15 0.46 3.41 2.01 -1.26 -4.58 115.64 116.82 1ab2 s THR 78 Ca -0.00 -0.63 0.30 0.00 0.31 0.00 0.00 61.69 61.68 1ab2 s THR 78 Cb 0.00 -2.33 0.50 0.00 0.01 0.00 0.00 72.50 70.68 1ab2 s THR 78 CO 0.00 0.52 1.69 0.25 -0.69 0.00 0.00 174.62 176.39 1ab2 h LEU 79 N 6.73 0.23 0.00 4.42 5.85 -1.96 -1.33 115.31 129.24 1ab2 h LEU 79 Ca -0.27 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1ab2 h LEU 79 Cb 1.21 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1ab2 h LEU 79 CO 0.57 -0.05 0.00 0.00 -0.34 0.00 0.00 178.44 178.61 1ab2 n ALA 80 N -2.60 -0.11 -0.44 1.25 0.00 -1.26 0.40 120.51 117.76 1ab2 n ALA 80 Ca 0.33 0.00 0.37 0.00 0.00 0.00 0.00 53.44 54.13 1ab2 n ALA 80 Cb 1.31 0.12 0.68 0.00 0.00 0.00 0.00 19.45 21.56 1ab2 n ALA 80 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ab2 h GLU 81 N 0.00 0.11 -0.28 0.00 4.57 -1.74 1.23 114.58 118.46 1ab2 h GLU 81 Ca 0.00 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1ab2 h GLU 81 Cb 0.00 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1ab2 h GLU 81 CO 0.00 0.07 0.12 1.25 -1.18 0.00 0.00 179.01 179.27 1ab2 h LEU 82 N 0.11 0.39 -0.27 1.64 6.46 -0.43 -2.00 115.31 121.20 1ab2 h LEU 82 Ca 0.74 -0.15 -0.06 0.00 -0.12 0.00 0.00 57.88 58.28 1ab2 h LEU 82 Cb 2.50 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 42.32 1ab2 h LEU 82 CO -0.23 0.43 -0.08 0.58 -0.62 0.00 0.00 178.44 178.53 1ab2 h VAL 83 N 0.31 1.29 -0.60 1.05 2.07 0.63 0.16 116.25 121.16 1ab2 h VAL 83 Ca 0.10 -1.12 0.09 0.00 0.82 0.00 0.00 66.70 66.59 1ab2 h VAL 83 Cb 0.16 1.46 -0.11 0.00 -1.52 0.00 0.00 31.29 31.28 1ab2 h VAL 83 CO -0.01 0.35 -0.41 0.45 0.02 0.00 0.00 177.57 177.97 1ab2 h HIS 84 N 0.28 -1.20 -0.41 1.57 3.86 -0.40 1.07 115.15 119.92 1ab2 h HIS 84 Ca 0.07 0.08 -0.13 0.00 -1.16 0.00 0.00 60.37 59.22 1ab2 h HIS 84 Cb 0.56 0.61 -0.01 0.00 1.06 0.00 0.00 27.41 29.63 1ab2 h HIS 84 CO 0.05 -0.41 -0.26 1.25 0.86 0.00 0.00 177.93 179.42 1ab2 h HIS 85 N -0.20 1.05 0.00 2.45 -0.00 -1.32 -2.19 115.15 114.94 1ab2 h HIS 85 Ca 0.20 -0.28 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 1ab2 h HIS 85 Cb 0.56 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.74 1ab2 h HIS 85 CO -0.70 1.08 0.00 0.72 -0.00 0.00 0.00 177.93 179.03 1ab2 n HIS 86 N -4.15 0.00 -0.08 5.26 -0.00 0.55 0.21 115.22 117.00 1ab2 n HIS 86 Ca -0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.63 1ab2 n HIS 86 Cb 0.48 -0.06 -0.14 0.00 -0.00 0.00 0.00 29.99 30.26 1ab2 n HIS 86 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1ab2 n SER 87 N -0.08 0.56 0.00 0.41 3.41 0.34 -2.76 113.62 115.50 1ab2 n SER 87 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ab2 n SER 87 Cb 0.15 1.04 0.00 0.00 -0.26 0.00 0.00 64.21 65.14 1ab2 n SER 87 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ab2 n THR 88 N -2.62 0.00 -3.53 6.66 -2.24 -1.04 -4.28 114.28 107.24 1ab2 n THR 88 Ca -0.27 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.23 1ab2 n THR 88 Cb 1.03 -0.38 -0.11 0.00 -2.10 0.00 0.00 70.33 68.76 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 -1.64 0.74 -0.41 2.28 1.01 0.13 -5.07 120.40 117.45 1ab2 s VAL 89 Ca 0.00 -2.48 -0.29 0.00 0.00 0.00 0.00 61.98 59.22 1ab2 s VAL 89 Cb 0.00 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.87 1ab2 s VAL 89 CO 0.00 -1.06 1.42 0.00 0.00 0.00 0.00 175.10 175.46 1ab2 s ALA 90 N 0.31 3.05 -0.32 5.51 0.00 -1.25 -3.88 121.76 125.18 1ab2 s ALA 90 Ca 0.24 -0.14 0.21 0.00 0.00 0.00 0.00 51.96 52.27 1ab2 s ALA 90 Cb -0.12 -3.94 0.33 0.00 0.00 0.00 0.00 23.12 19.40 1ab2 s ALA 90 CO -0.08 -2.39 1.59 0.38 0.00 0.00 0.00 175.76 175.26 1ab2 h ASP 91 N 10.73 0.00 0.00 0.00 3.04 -1.93 -3.41 116.42 124.85 1ab2 h ASP 91 Ca -0.28 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.51 1ab2 h ASP 91 Cb 1.11 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.40 1ab2 h ASP 91 CO 1.08 0.15 0.00 0.61 -2.04 0.00 0.00 179.24 179.04 1ab2 n GLY 92 N 1.05 0.07 3.69 7.15 0.00 -1.26 -4.64 105.19 111.25 1ab2 n GLY 92 Ca 0.03 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1ab2 n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ab2 n LEU 93 N -1.08 3.86 0.00 0.99 4.77 -1.26 -4.93 117.00 119.36 1ab2 n LEU 93 Ca 0.00 1.02 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 1ab2 n LEU 93 Cb 0.00 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.56 1ab2 n LEU 93 CO 0.00 0.10 0.07 2.30 -1.33 0.00 0.00 177.39 178.53 1ab2 n ILE 94 N 4.35 0.00 -0.75 -0.08 -5.35 -1.26 -4.67 119.36 111.60 1ab2 n ILE 94 Ca 0.18 0.64 0.00 0.00 -0.27 0.00 0.00 62.75 63.30 1ab2 n ILE 94 Cb 0.35 -1.25 0.00 0.00 -1.74 0.00 0.00 39.64 37.00 1ab2 n ILE 94 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1ab2 n THR 95 N -0.25 0.00 -3.98 7.28 5.66 -1.26 -4.92 114.28 116.81 1ab2 n THR 95 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1ab2 n THR 95 Cb 0.00 -1.76 -0.15 0.00 -1.55 0.00 0.00 70.33 66.87 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 -0.86 1.90 0.00 1.09 -4.23 -1.26 -4.77 115.64 107.51 1ab2 s THR 96 Ca 0.00 -1.77 -0.08 0.00 -1.18 0.00 0.00 61.69 58.65 1ab2 s THR 96 Cb 0.00 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.56 1ab2 s THR 96 CO 0.00 -0.34 0.22 0.18 -0.54 0.00 0.00 174.62 174.15 1ab2 n LEU 97 N 4.47 -0.01 0.00 4.79 4.32 -1.11 -4.87 117.00 124.59 1ab2 n LEU 97 Ca -0.05 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.18 1ab2 n LEU 97 Cb 0.43 -0.20 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 1ab2 n LEU 97 CO 0.19 -0.41 0.00 1.57 -1.22 0.00 0.00 177.39 177.52 1ab2 n HIS 98 N 0.31 0.00 -3.80 -1.77 -0.00 -1.26 -4.72 115.22 103.98 1ab2 n HIS 98 Ca 0.04 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.92 1ab2 n HIS 98 Cb 0.02 0.00 -0.15 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 0.00 2.21 -0.98 1.57 1.13 -1.26 -5.06 117.35 114.97 1ab2 s TYR 99 Ca 0.00 -2.05 -0.24 0.00 -1.41 0.00 0.00 57.07 53.38 1ab2 s TYR 99 Cb 0.00 -2.01 0.00 0.00 -1.10 0.00 0.00 41.96 38.85 1ab2 s TYR 99 CO 0.00 -0.90 1.70 -1.25 -2.51 0.00 0.00 175.55 172.59 1ab2 s PRO 100 N 1.44 3.09 0.17 -3.49 0.04 -1.26 -4.75 135.00 130.24 1ab2 s PRO 100 Ca 0.10 -0.76 -0.33 0.00 0.04 0.00 0.00 61.00 60.06 1ab2 s PRO 100 Cb -0.18 -5.22 -0.16 0.00 0.04 0.00 0.00 34.50 28.98 1ab2 s PRO 100 CO -0.21 -2.80 1.10 0.00 0.04 0.00 0.00 177.00 175.13 1ab2 n ALA 101 N 11.38 -1.06 -1.64 8.56 0.00 -1.26 -4.51 120.51 131.97 1ab2 n ALA 101 Ca 0.37 0.46 -0.32 0.00 0.00 0.00 0.00 53.44 53.96 1ab2 n ALA 101 Cb 0.49 -1.98 0.02 0.00 0.00 0.00 0.00 19.45 17.98 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 -0.49 3.21 1.14 0.00 0.04 -1.26 -4.58 135.00 133.06 1ab2 s PRO 102 Ca 0.72 1.07 -0.17 0.00 0.04 0.00 0.00 61.00 62.67 1ab2 s PRO 102 Cb -0.87 -2.02 0.26 0.00 0.04 0.00 0.00 34.50 31.90 1ab2 s PRO 102 CO 0.53 -0.89 1.09 0.15 0.04 0.00 0.00 177.00 177.93 1ab2 s LYS 103 N -4.50 -0.71 -1.14 4.56 3.01 -1.26 -4.88 119.74 114.81 1ab2 s LYS 103 Ca 0.61 0.18 -0.21 0.00 -1.01 0.00 0.00 55.97 55.54 1ab2 s LYS 103 Cb -0.15 -1.63 0.05 0.00 -1.01 0.00 0.00 37.83 35.09 1ab2 s LYS 103 CO 0.44 -3.42 1.60 -0.98 0.51 0.00 0.00 175.35 173.51 1ab2 s ARG 104 N -5.19 3.71 -0.69 1.68 1.70 -1.26 -4.84 118.95 114.06 1ab2 s ARG 104 Ca 0.69 -1.49 0.05 0.00 -0.47 0.00 0.00 55.73 54.51 1ab2 s ARG 104 Cb -0.14 -5.43 0.23 0.00 -0.57 0.00 0.00 34.95 29.04 1ab2 s ARG 104 CO 0.57 -2.31 0.71 0.41 -1.08 0.00 0.00 175.30 173.61 1ab2 n GLY 105 N 6.21 4.58 3.43 3.88 0.00 -1.26 -5.05 105.19 116.98 1ab2 n GLY 105 Ca 0.41 -2.71 -0.30 0.00 0.00 0.00 0.00 46.02 43.41 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 -2.16 2.61 -0.25 -0.61 -1.09 -1.26 -5.12 121.20 113.32 1ab2 s ILE 106 Ca 0.35 -1.33 -0.27 0.00 -2.23 0.00 0.00 60.65 57.17 1ab2 s ILE 106 Cb 0.08 -2.11 0.13 0.00 -1.58 0.00 0.00 42.46 38.98 1ab2 s ILE 106 CO -0.06 0.28 1.07 -1.38 -1.23 0.00 0.00 174.94 173.62 1ab2 s HIS 107 N -0.95 -0.39 0.23 3.97 -3.43 -1.26 -5.08 115.29 108.37 1ab2 s HIS 107 Ca 0.14 0.89 0.00 0.00 -0.80 0.00 0.00 55.06 55.29 1ab2 s HIS 107 Cb -0.10 0.40 0.00 0.00 -1.43 0.00 0.00 32.58 31.45 1ab2 s HIS 107 CO 0.05 -0.24 0.00 0.54 -2.00 0.00 0.00 174.74 173.10 1ab2 n ARG 108 N 1.70 0.00 -0.44 -0.38 3.00 -1.26 -5.35 116.66 113.93 1ab2 n ARG 108 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.73 1ab2 n ARG 108 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.03 1ab2 n ARG 108 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16