#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i22 n GLU 2 N 0.00 0.00 -2.52 0.03 -0.58 -1.26 -4.67 120.64 111.64 3i22 n GLU 2 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 3i22 n GLU 2 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 3i22 n GLU 2 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3i22 n THR 3 N -1.96-10.49 -4.35 2.62 -1.04 -1.26 -3.97 114.28 93.83 3i22 n THR 3 Ca 0.00 2.34 -0.20 0.00 -2.04 0.00 0.00 64.05 64.16 3i22 n THR 3 Cb 0.00 -5.43 -0.13 0.00 -1.82 0.00 0.00 70.33 62.94 3i22 n THR 3 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3i22 s ILE 4 N -0.50 1.07 0.28 12.58 -5.25 -1.26 -3.43 121.20 124.69 3i22 s ILE 4 Ca -0.13 -0.96 0.05 0.00 -0.99 0.00 0.00 60.65 58.62 3i22 s ILE 4 Cb 0.01 -0.97 -0.06 0.00 2.95 0.00 0.00 42.46 44.39 3i22 s ILE 4 CO 0.35 0.01 -0.01 0.00 -1.79 0.00 0.00 174.94 173.50 3i22 s ALA 5 N -0.82 2.18 0.22 2.27 0.00 -0.96 -4.99 121.76 119.67 3i22 s ALA 5 Ca 0.01 -1.91 -0.22 0.00 0.00 0.00 0.00 51.96 49.84 3i22 s ALA 5 Cb -0.08 0.42 0.04 0.00 0.00 0.00 0.00 23.12 23.51 3i22 s ALA 5 CO 0.01 -0.20 0.68 -1.59 0.00 0.00 0.00 175.76 174.66 3i22 s LYS 6 N -3.82 1.54 -0.25 0.00 -2.85 -1.26 -1.55 119.74 111.55 3i22 s LYS 6 Ca 0.31 -0.74 0.01 0.00 -1.00 0.00 0.00 55.97 54.55 3i22 s LYS 6 Cb 0.06 0.59 0.06 0.00 -2.06 0.00 0.00 37.83 36.48 3i22 s LYS 6 CO 0.12 -0.69 -0.06 -1.58 0.10 0.00 0.00 175.35 173.24 3i22 s HIS 7 N -3.82 2.67 0.01 1.78 5.65 0.29 -4.98 115.29 116.89 3i22 s HIS 7 Ca 0.07 -1.96 0.04 0.00 0.25 0.00 0.00 55.06 53.46 3i22 s HIS 7 Cb -0.04 -1.72 -0.03 0.00 -1.18 0.00 0.00 32.58 29.61 3i22 s HIS 7 CO -0.02 -0.81 -0.08 1.03 -0.65 0.00 0.00 174.74 174.20 3i22 s ARG 8 N 1.30 2.48 0.00 2.88 0.52 -1.26 -1.10 118.95 123.77 3i22 s ARG 8 Ca -0.06 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 3i22 s ARG 8 Cb -0.19 -2.45 0.00 0.00 0.52 0.00 0.00 34.95 32.82 3i22 s ARG 8 CO -0.06 0.59 0.00 0.72 0.02 0.00 0.00 175.30 176.57 3i22 n HIS 9 N 1.55 0.00 -1.54 -0.53 8.25 -1.24 -4.99 115.22 116.72 3i22 n HIS 9 Ca -0.15 0.00 -0.55 0.00 -0.26 0.00 0.00 57.72 56.75 3i22 n HIS 9 Cb 0.52 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.57 3i22 n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i22 n ALA 10 N -0.02 -2.33 -3.01 -1.41 0.00 -0.78 -4.75 120.51 108.20 3i22 n ALA 10 Ca 0.00 0.55 -0.44 0.00 0.00 0.00 0.00 53.44 53.55 3i22 n ALA 10 Cb 0.00 -1.91 -0.01 0.00 0.00 0.00 0.00 19.45 17.53 3i22 n ALA 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i22 s ARG 11 N 0.17 3.85 0.00 0.00 1.81 -1.26 -2.55 118.95 120.97 3i22 s ARG 11 Ca 0.87 -2.29 0.00 0.00 -1.72 0.00 0.00 55.73 52.59 3i22 s ARG 11 Cb -1.10 -4.89 0.00 0.00 -0.45 0.00 0.00 34.95 28.51 3i22 s ARG 11 CO 0.52 -1.67 0.00 0.45 -0.68 0.00 0.00 175.30 173.92 3i22 n SER 12 N 5.58 0.00 -4.96 0.23 2.88 -1.26 -5.06 113.62 111.03 3i22 n SER 12 Ca 0.28 -0.79 -0.19 0.00 -1.33 0.00 0.00 58.87 56.83 3i22 n SER 12 Cb 0.46 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.91 3i22 n SER 12 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3i22 s SER 13 N -0.38 5.78 0.00 -3.46 1.04 -1.26 -3.23 113.70 112.19 3i22 s SER 13 Ca 0.00 -0.29 0.29 0.00 0.48 0.00 0.00 55.95 56.43 3i22 s SER 13 Cb 0.00 -1.10 1.21 0.00 0.10 0.00 0.00 66.02 66.23 3i22 s SER 13 CO 0.00 -0.46 1.86 0.00 0.98 0.00 0.00 173.24 175.62 3i22 n ALA 14 N -1.61 2.71 -0.09 5.32 0.00 -1.21 -3.15 120.51 122.48 3i22 n ALA 14 Ca 0.01 -0.22 -0.19 0.00 0.00 0.00 0.00 53.44 53.04 3i22 n ALA 14 Cb 0.59 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.54 3i22 n ALA 14 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3i22 n GLN 15 N -1.18 0.68 0.04 0.00 7.27 -1.26 -3.56 117.38 119.37 3i22 n GLN 15 Ca 0.12 0.18 -0.13 0.00 0.07 0.00 0.00 57.00 57.24 3i22 n GLN 15 Cb 0.29 -1.58 -0.09 0.00 2.41 0.00 0.00 30.24 31.27 3i22 n GLN 15 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 3i22 h LYS 16 N 0.02 -0.13 -0.24 3.69 1.57 -1.98 -1.64 116.57 117.86 3i22 h LYS 16 Ca -0.53 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.32 3i22 h LYS 16 Cb 1.96 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 34.24 3i22 h LYS 16 CO -0.03 0.28 -0.11 0.28 -0.57 0.00 0.00 179.45 179.30 3i22 h VAL 17 N -0.57 0.64 -0.86 0.50 2.07 -1.78 -1.30 116.25 114.95 3i22 h VAL 17 Ca -0.01 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.73 3i22 h VAL 17 Cb 0.47 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 3i22 h VAL 17 CO 0.02 0.00 0.60 -0.09 0.02 0.00 0.00 177.57 178.12 3i22 h ARG 18 N -0.08 0.17 0.13 1.57 2.43 -1.60 0.50 114.38 117.49 3i22 h ARG 18 Ca 0.13 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3i22 h ARG 18 Cb 0.27 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3i22 h ARG 18 CO -0.30 0.11 -0.06 1.25 -1.51 0.00 0.00 179.97 179.46 3i22 h LEU 19 N 0.17 -0.15 -0.26 3.80 5.85 -0.23 -1.52 115.31 122.98 3i22 h LEU 19 Ca 0.43 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3i22 h LEU 19 Cb 1.40 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.47 3i22 h LEU 19 CO -0.08 0.17 -0.09 0.55 -0.34 0.00 0.00 178.44 178.65 3i22 n VAL 20 N -5.03 0.00 -0.05 1.05 3.14 -0.80 -3.65 118.33 112.99 3i22 n VAL 20 Ca -0.09 -0.07 -0.14 0.00 -2.96 0.00 0.00 64.34 61.09 3i22 n VAL 20 Cb 0.21 -0.10 -0.12 0.00 -1.06 0.00 0.00 33.84 32.76 3i22 n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i22 h ALA 21 N 3.69 0.00 0.00 1.55 0.00 0.31 -3.17 119.26 121.64 3i22 h ALA 21 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3i22 h ALA 21 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3i22 h ALA 21 CO 0.00 -0.05 0.00 -0.25 0.00 0.00 0.00 179.25 178.95 3i22 n ASP 22 N -4.66 0.00 0.03 0.00 9.92 -0.60 -2.37 116.55 118.87 3i22 n ASP 22 Ca -0.10 0.30 -0.20 0.00 -0.53 0.00 0.00 54.79 54.26 3i22 n ASP 22 Cb 0.43 -0.37 -0.10 0.00 -0.64 0.00 0.00 41.12 40.44 3i22 n ASP 22 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3i22 h LEU 23 N 0.00 0.93 -2.32 0.64 6.46 -1.62 -3.36 115.31 116.05 3i22 h LEU 23 Ca 0.00 -0.71 0.00 0.00 -0.12 0.00 0.00 57.88 57.05 3i22 h LEU 23 Cb 0.11 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.76 3i22 h LEU 23 CO 0.00 1.51 0.00 2.30 -0.62 0.00 0.00 178.44 181.63 3i22 n ILE 24 N -3.87 0.60 -1.98 4.05 -5.35 -1.00 -4.94 119.36 106.87 3i22 n ILE 24 Ca -0.10 -0.80 -0.41 0.00 -0.27 0.00 0.00 62.75 61.16 3i22 n ILE 24 Cb 0.85 0.80 -0.02 0.00 -1.74 0.00 0.00 39.64 39.53 3i22 n ILE 24 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3i22 s ARG 25 N -1.00 4.25 0.00 6.28 3.52 -1.15 -3.80 118.95 127.05 3i22 s ARG 25 Ca 0.20 2.35 0.00 0.00 -0.13 0.00 0.00 55.73 58.16 3i22 s ARG 25 Cb 0.12 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.43 3i22 s ARG 25 CO 0.16 -0.42 0.00 0.41 -0.81 0.00 0.00 175.30 174.64 3i22 n GLY 26 N 1.80 1.81 3.53 8.12 0.00 -0.48 -4.96 105.19 115.00 3i22 n GLY 26 Ca 0.05 -0.17 -0.52 0.00 0.00 0.00 0.00 46.02 45.38 3i22 n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i22 n LYS 27 N 0.00 1.21 0.00 1.61 4.76 -1.25 -3.66 118.16 120.83 3i22 n LYS 27 Ca 0.00 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 3i22 n LYS 27 Cb 0.00 -2.38 0.00 0.00 -1.84 0.00 0.00 35.03 30.81 3i22 n LYS 27 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3i22 n LYS 28 N 7.34 0.00 0.00 1.97 5.02 -1.26 -4.04 118.16 127.18 3i22 n LYS 28 Ca 0.36 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 3i22 n LYS 28 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.22 3i22 n LYS 28 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3i22 n VAL 29 N 0.00 0.00 -0.16 -0.18 0.31 -1.26 -0.53 118.33 116.51 3i22 n VAL 29 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3i22 n VAL 29 Cb 0.00 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i22 n VAL 29 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3i22 h SER 30 N 0.00 0.71 0.00 4.52 0.02 -1.90 -3.27 113.55 113.64 3i22 h SER 30 Ca 0.00 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 3i22 h SER 30 Cb 0.00 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.35 3i22 h SER 30 CO 0.00 0.77 -0.01 1.56 -1.14 0.00 0.00 176.83 178.00 3i22 h GLN 31 N 0.62 0.00 -5.31 3.45 1.08 -1.90 -3.16 115.11 109.88 3i22 h GLN 31 Ca 0.14 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.19 3i22 h GLN 31 Cb 0.34 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 3i22 h GLN 31 CO 0.00 0.76 0.47 0.00 -0.95 0.00 0.00 178.83 179.11 3i22 s ALA 32 N -2.30 1.05 0.00 3.87 0.00 -1.23 -0.29 121.76 122.85 3i22 s ALA 32 Ca -0.15 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.16 3i22 s ALA 32 Cb -0.02 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.43 3i22 s ALA 32 CO 0.52 -6.08 0.00 -0.11 0.00 0.00 0.00 175.76 170.09 3i22 n LEU 33 N 17.31 0.00 0.26 0.00 7.94 -1.25 -4.59 117.00 136.67 3i22 n LEU 33 Ca 0.43 0.00 0.17 0.00 -1.11 0.00 0.00 56.01 55.50 3i22 n LEU 33 Cb 0.46 0.00 0.80 0.00 0.53 0.00 0.00 43.42 45.22 3i22 n LEU 33 CO 0.62 0.00 1.01 0.44 -1.11 0.00 0.00 177.39 178.35 3i22 h ASP 34 N 0.00 0.00 0.06 1.96 3.45 -0.98 0.61 116.42 121.52 3i22 h ASP 34 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3i22 h ASP 34 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3i22 h ASP 34 CO 0.00 0.00 -0.03 2.30 -1.57 0.00 0.00 179.24 179.94 3i22 n ILE 35 N -2.84 0.00 -0.12 0.35 -5.35 0.60 -3.98 119.36 108.02 3i22 n ILE 35 Ca -0.00 -0.15 -0.21 0.00 -0.27 0.00 0.00 62.75 62.12 3i22 n ILE 35 Cb 0.19 0.15 -0.10 0.00 -1.74 0.00 0.00 39.64 38.15 3i22 n ILE 35 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3i22 n LEU 36 N -0.35 2.32 0.21 7.28 7.99 0.19 -4.37 117.00 130.27 3i22 n LEU 36 Ca 0.19 0.09 0.06 0.00 -0.01 0.00 0.00 56.01 56.34 3i22 n LEU 36 Cb 0.28 -0.75 0.32 0.00 -0.11 0.00 0.00 43.42 43.16 3i22 n LEU 36 CO 0.19 0.69 0.86 0.74 -1.51 0.00 0.00 177.39 178.36 3i22 h THR 37 N -0.45 0.00 -2.44 -5.08 2.02 -0.96 -3.01 112.91 103.00 3i22 h THR 37 Ca -0.56 0.00 -0.59 0.00 0.77 0.00 0.00 66.41 66.03 3i22 h THR 37 Cb 1.65 0.26 -0.38 0.00 -1.74 0.00 0.00 68.15 67.94 3i22 h THR 37 CO -0.23 0.00 -0.94 -0.31 0.37 0.00 0.00 175.52 174.41 3i22 s TYR 38 N -3.45 0.99 0.00 3.16 1.51 -1.26 -5.03 117.35 113.27 3i22 s TYR 38 Ca -0.01 -2.12 0.00 0.00 -1.01 0.00 0.00 57.07 53.93 3i22 s TYR 38 Cb 0.03 -0.92 0.00 0.00 -0.11 0.00 0.00 41.96 40.96 3i22 s TYR 38 CO 0.11 -0.83 0.00 2.41 -1.11 0.00 0.00 175.55 176.13 3i22 n THR 39 N 3.21 0.00 0.00 -0.71 -1.04 -1.14 -4.86 114.28 109.74 3i22 n THR 39 Ca 0.24 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 3i22 n THR 39 Cb 0.44 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 3i22 n THR 39 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3i22 n ASN 40 N 0.00 0.00 -4.57 8.00 0.23 -1.26 -5.15 115.26 112.50 3i22 n ASN 40 Ca 0.00 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.64 3i22 n ASN 40 Cb 0.00 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 37.72 3i22 n ASN 40 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3i22 n LYS 41 N 0.00 1.09 0.10 -3.83 4.76 -1.26 -4.82 118.16 114.20 3i22 n LYS 41 Ca 0.00 0.40 0.19 0.00 -2.87 0.00 0.00 58.31 56.03 3i22 n LYS 41 Cb 0.00 -1.94 0.75 0.00 -1.84 0.00 0.00 35.03 32.00 3i22 n LYS 41 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 3i22 h LYS 42 N 1.17 0.00 0.00 1.97 3.64 -2.01 0.28 116.57 121.62 3i22 h LYS 42 Ca -0.44 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.92 3i22 h LYS 42 Cb 1.36 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.17 3i22 h LYS 42 CO 0.54 0.00 -0.07 0.00 -2.27 0.00 0.00 179.45 177.66 3i22 h ALA 43 N 1.65 1.29 -0.19 5.00 0.00 -1.92 -2.51 119.26 122.59 3i22 h ALA 43 Ca 0.18 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3i22 h ALA 43 Cb 0.88 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 3i22 h ALA 43 CO -0.00 0.08 -0.15 0.00 0.00 0.00 0.00 179.25 179.18 3i22 h ALA 44 N 1.93 -0.02 -0.71 0.00 0.00 -0.75 -2.24 119.26 117.48 3i22 h ALA 44 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3i22 h ALA 44 Cb 0.21 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3i22 h ALA 44 CO 0.01 -0.59 0.00 1.33 0.00 0.00 0.00 179.25 180.00 3i22 n VAL 45 N -5.31 0.96 -0.07 0.00 0.24 -1.13 -3.17 118.33 109.86 3i22 n VAL 45 Ca -0.02 -0.98 -0.04 0.00 -2.04 0.00 0.00 64.34 61.26 3i22 n VAL 45 Cb 0.22 0.54 -0.01 0.00 -1.47 0.00 0.00 33.84 33.12 3i22 n VAL 45 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3i22 h LEU 46 N 4.31 0.00 -0.03 1.34 7.12 -1.08 -3.35 115.31 123.62 3i22 h LEU 46 Ca 0.00 -0.01 -0.11 0.00 0.13 0.00 0.00 57.88 57.89 3i22 h LEU 46 Cb 0.99 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.11 3i22 h LEU 46 CO 0.00 0.69 -0.53 -0.37 -0.13 0.00 0.00 178.44 178.10 3i22 h VAL 47 N -1.00 0.92 -0.42 1.05 -1.51 -1.62 -3.27 116.25 110.40 3i22 h VAL 47 Ca -0.00 -2.28 -0.08 0.00 -1.23 0.00 0.00 66.70 63.11 3i22 h VAL 47 Cb 0.38 2.44 -0.01 0.00 -2.13 0.00 0.00 31.29 31.97 3i22 h VAL 47 CO -0.00 0.52 -0.05 0.50 -1.23 0.00 0.00 177.57 177.31 3i22 h LYS 48 N 0.00 0.77 -0.79 5.19 3.64 -1.70 -0.77 116.57 122.91 3i22 h LYS 48 Ca -0.01 -0.27 0.20 0.00 -1.27 0.00 0.00 60.65 59.31 3i22 h LYS 48 Cb 1.40 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 33.12 3i22 h LYS 48 CO 0.07 0.87 0.55 -0.22 -2.27 0.00 0.00 179.45 178.45 3i22 h LYS 49 N 0.60 0.17 0.26 1.90 3.64 -1.69 0.11 116.57 121.55 3i22 h LYS 49 Ca 0.11 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3i22 h LYS 49 Cb 0.55 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3i22 h LYS 49 CO 0.03 0.11 -0.12 0.28 -2.27 0.00 0.00 179.45 177.48 3i22 h VAL 50 N 0.17 0.00 -0.34 2.00 2.07 -1.37 -3.04 116.25 115.74 3i22 h VAL 50 Ca 0.39 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 67.62 3i22 h VAL 50 Cb 1.26 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 3i22 h VAL 50 CO -0.07 0.00 -0.02 0.25 0.02 0.00 0.00 177.57 177.75 3i22 h LEU 51 N -0.70 -0.18 -1.72 2.57 5.85 -0.76 0.94 115.31 121.33 3i22 h LEU 51 Ca -0.04 0.08 0.19 0.00 0.84 0.00 0.00 57.88 58.96 3i22 h LEU 51 Cb 0.26 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 3i22 h LEU 51 CO 0.06 -0.05 0.55 -0.33 -0.34 0.00 0.00 178.44 178.32 3i22 h GLU 52 N 0.08 0.24 0.10 1.25 5.08 -0.95 1.28 114.58 121.65 3i22 h GLU 52 Ca 0.17 -0.01 -0.26 0.00 -1.00 0.00 0.00 59.36 58.25 3i22 h GLU 52 Cb 0.24 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.44 3i22 h GLU 52 CO -0.30 0.16 -1.17 1.03 -1.00 0.00 0.00 179.01 177.73 3i22 h SER 53 N 0.25 0.47 -0.47 1.42 0.87 -0.24 -2.74 113.55 113.10 3i22 h SER 53 Ca 0.40 -0.46 0.02 0.00 -1.23 0.00 0.00 61.79 60.51 3i22 h SER 53 Cb 1.18 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.96 3i22 h SER 53 CO -0.10 1.33 0.29 0.00 -0.53 0.00 0.00 176.83 177.83 3i22 h ALA 54 N 0.61 0.60 -0.80 6.23 0.00 0.47 0.11 119.26 126.48 3i22 h ALA 54 Ca -0.12 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 54.91 3i22 h ALA 54 Cb 1.87 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 19.42 3i22 h ALA 54 CO 0.20 -0.01 0.37 0.82 0.00 0.00 0.00 179.25 180.63 3i22 h ILE 55 N 0.59 0.71 -0.03 0.00 5.03 0.14 -1.19 117.51 122.76 3i22 h ILE 55 Ca 0.18 -0.19 -0.11 0.00 -0.12 0.00 0.00 64.86 64.62 3i22 h ILE 55 Cb -0.01 0.12 -0.01 0.00 -3.03 0.00 0.00 36.82 33.88 3i22 h ILE 55 CO -0.07 0.10 -0.51 0.00 -0.68 0.00 0.00 178.15 176.99 3i22 h ALA 56 N 1.54 1.11 0.00 1.87 0.00 -0.99 -2.04 119.26 120.74 3i22 h ALA 56 Ca 0.43 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i22 h ALA 56 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3i22 h ALA 56 CO -0.37 0.64 0.00 0.09 0.00 0.00 0.00 179.25 179.62 3i22 n ASN 57 N -3.94 0.00 -0.10 0.00 5.03 0.30 -1.88 115.26 114.68 3i22 n ASN 57 Ca -0.02 0.37 -0.11 0.00 0.87 0.00 0.00 54.58 55.70 3i22 n ASN 57 Cb 0.53 -0.44 -0.13 0.00 -1.02 0.00 0.00 39.78 38.71 3i22 n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i22 n ALA 58 N -1.44 1.54 0.07 5.41 0.00 -0.94 -3.79 120.51 121.36 3i22 n ALA 58 Ca 0.06 -1.13 -0.13 0.00 0.00 0.00 0.00 53.44 52.24 3i22 n ALA 58 Cb 0.19 -0.10 -0.09 0.00 0.00 0.00 0.00 19.45 19.45 3i22 n ALA 58 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i22 h GLU 59 N 0.00 -0.20 0.07 0.00 4.39 -1.15 -2.74 114.58 114.95 3i22 h GLU 59 Ca -0.49 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.22 3i22 h GLU 59 Cb 2.03 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.72 3i22 h GLU 59 CO -0.00 0.16 -0.03 1.25 -1.16 0.00 0.00 179.01 179.23 3i22 h HIS 60 N -0.62 -0.09 0.00 4.33 2.76 -1.63 -3.45 115.15 116.46 3i22 h HIS 60 Ca -0.02 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 3i22 h HIS 60 Cb 0.46 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.45 3i22 h HIS 60 CO 0.05 0.48 0.00 0.09 -1.30 0.00 0.00 177.93 177.25 3i22 n ASN 61 N -4.83 0.00 -4.70 3.26 4.13 -1.25 -4.93 115.26 106.94 3i22 n ASN 61 Ca -0.08 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.76 3i22 n ASN 61 Cb 0.30 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.51 3i22 n ASN 61 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 3i22 s ASP 62 N -1.27 6.69 0.00 6.41 -4.77 -1.26 -4.88 116.67 117.59 3i22 s ASP 62 Ca 0.00 2.40 0.00 0.00 -3.30 0.00 0.00 52.55 51.65 3i22 s ASP 62 Cb 0.00 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 3i22 s ASP 62 CO 0.00 -0.80 0.00 0.61 0.70 0.00 0.00 175.17 175.68 3i22 n GLY 63 N 3.80 3.93 0.00 2.12 0.00 -1.03 -4.49 105.19 109.52 3i22 n GLY 63 Ca 0.14 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3i22 n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i22 n ALA 64 N 0.00 0.00 -1.25 4.61 0.00 -1.26 -3.97 120.51 118.64 3i22 n ALA 64 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 53.44 52.85 3i22 n ALA 64 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 3i22 n ALA 64 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i22 n ASP 65 N 0.00 0.73 0.00 0.00 8.00 -1.26 -4.72 116.55 119.31 3i22 n ASP 65 Ca 0.00 0.66 0.03 0.00 0.71 0.00 0.00 54.79 56.20 3i22 n ASP 65 Cb 0.00 -0.90 0.16 0.00 -0.02 0.00 0.00 41.12 40.36 3i22 n ASP 65 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3i22 n ILE 66 N 6.50 1.07 0.31 0.53 -0.00 -1.26 -2.93 119.36 123.57 3i22 n ILE 66 Ca 0.55 0.27 0.16 0.00 -0.00 0.00 0.00 62.75 63.72 3i22 n ILE 66 Cb -0.04 -1.16 0.80 0.00 -0.00 0.00 0.00 39.64 39.25 3i22 n ILE 66 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 3i22 h ASP 67 N 0.00 0.00 -1.98 7.28 5.19 -2.02 -2.48 116.42 122.41 3i22 h ASP 67 Ca 0.00 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.90 3i22 h ASP 67 Cb 0.08 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 39.18 3i22 h ASP 67 CO 0.00 0.00 -1.00 -0.90 -3.12 0.00 0.00 179.24 174.22 3i22 n ASP 68 N -2.99 2.26 -3.43 6.45 5.75 -1.15 -4.96 116.55 118.48 3i22 n ASP 68 Ca -0.01 -3.24 -0.27 0.00 -0.01 0.00 0.00 54.79 51.27 3i22 n ASP 68 Cb 0.41 -0.58 -0.08 0.00 -1.03 0.00 0.00 41.12 39.84 3i22 n ASP 68 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3i22 n LEU 69 N 0.04 2.82 -4.49 -2.12 4.32 -0.94 -4.34 117.00 112.30 3i22 n LEU 69 Ca 0.26 -5.23 -0.50 0.00 -0.02 0.00 0.00 56.01 50.52 3i22 n LEU 69 Cb 0.59 -0.37 -0.07 0.00 -1.62 0.00 0.00 43.42 41.95 3i22 n LEU 69 CO 0.26 2.02 1.76 0.29 -1.22 0.00 0.00 177.39 180.51 3i22 n LYS 70 N 1.16 1.23 -1.56 3.23 4.01 -1.24 -4.18 118.16 120.80 3i22 n LYS 70 Ca 0.27 0.35 -0.15 0.00 -0.51 0.00 0.00 58.31 58.27 3i22 n LYS 70 Cb 0.43 -2.53 -0.07 0.00 -0.51 0.00 0.00 35.03 32.36 3i22 n LYS 70 CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84 3i22 n VAL 71 N 6.99 -0.01 0.00 -0.18 3.14 0.31 -3.77 118.33 124.82 3i22 n VAL 71 Ca 0.38 -0.53 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 3i22 n VAL 71 Cb 0.25 -2.06 0.00 0.00 -1.06 0.00 0.00 33.84 30.97 3i22 n VAL 71 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3i22 n THR 72 N 8.74 0.00 -2.00 1.55 -2.24 -0.91 -1.39 114.28 118.03 3i22 n THR 72 Ca 0.46 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.83 3i22 n THR 72 Cb 0.44 -0.67 -0.01 0.00 -2.10 0.00 0.00 70.33 67.99 3i22 n THR 72 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i22 s LYS 73 N 0.00 4.27 -0.29 -0.78 -0.14 -0.89 -3.92 119.74 117.99 3i22 s LYS 73 Ca 0.00 2.34 -0.02 0.00 -1.36 0.00 0.00 55.97 56.93 3i22 s LYS 73 Cb 0.00 -3.04 0.18 0.00 -1.68 0.00 0.00 37.83 33.29 3i22 s LYS 73 CO 0.00 -0.33 0.57 -1.50 -0.76 0.00 0.00 175.35 173.33 3i22 s ILE 74 N -0.99 -0.94 -0.14 2.17 2.07 -1.26 -0.15 121.20 121.95 3i22 s ILE 74 Ca 0.51 -0.01 -0.10 0.00 -1.41 0.00 0.00 60.65 59.65 3i22 s ILE 74 Cb -0.42 -0.97 0.05 0.00 0.13 0.00 0.00 42.46 41.24 3i22 s ILE 74 CO 0.55 -0.02 0.35 0.72 -1.91 0.00 0.00 174.94 174.63 3i22 s PHE 75 N 2.82 -0.45 0.08 3.50 -0.71 -0.64 -4.90 117.98 117.67 3i22 s PHE 75 Ca 0.18 1.03 -0.03 0.00 -1.04 0.00 0.00 56.93 57.07 3i22 s PHE 75 Cb -0.15 0.16 -0.05 0.00 -1.21 0.00 0.00 43.02 41.78 3i22 s PHE 75 CO -0.20 -0.25 0.29 0.54 -1.34 0.00 0.00 175.22 174.25 3i22 s VAL 76 N 0.87 5.29 0.04 -2.49 0.11 -1.26 -2.13 120.40 120.83 3i22 s VAL 76 Ca -0.06 -0.11 0.02 0.00 -2.93 0.00 0.00 61.98 58.91 3i22 s VAL 76 Cb -0.06 -3.61 -0.02 0.00 -1.53 0.00 0.00 36.38 31.15 3i22 s VAL 76 CO -0.06 0.15 -0.08 -1.81 -3.33 0.00 0.00 175.10 169.96 3i22 s ASP 77 N -2.31 0.90 0.17 3.54 1.11 -0.82 -4.95 116.67 114.31 3i22 s ASP 77 Ca 0.36 -0.54 -0.31 0.00 0.18 0.00 0.00 52.55 52.24 3i22 s ASP 77 Cb -0.13 0.03 -0.09 0.00 1.07 0.00 0.00 42.92 43.80 3i22 s ASP 77 CO 0.24 -0.19 1.45 -1.61 1.18 0.00 0.00 175.17 176.25 3i22 s GLU 78 N -1.53 4.28 0.00 8.23 2.02 -1.26 0.56 118.70 130.99 3i22 s GLU 78 Ca -0.09 2.22 0.00 0.00 0.02 0.00 0.00 54.97 57.12 3i22 s GLU 78 Cb -0.10 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 30.95 3i22 s GLU 78 CO 0.00 -0.47 0.00 0.41 0.02 0.00 0.00 175.26 175.22 3i22 n GLY 79 N 3.20 3.22 3.59 -1.39 0.00 -1.26 -4.77 105.19 107.78 3i22 n GLY 79 Ca 0.11 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 3i22 n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i22 s PRO 80 N 2.63 3.41 0.04 1.61 0.04 -1.26 -4.66 135.00 136.82 3i22 s PRO 80 Ca 0.00 0.70 -0.30 0.00 0.04 0.00 0.00 61.00 61.43 3i22 s PRO 80 Cb 0.00 -4.08 -0.06 0.00 0.04 0.00 0.00 34.50 30.39 3i22 s PRO 80 CO 0.00 -1.78 1.43 -1.12 0.04 0.00 0.00 177.00 175.57 3i22 s SER 81 N 4.32 6.81 -0.18 6.66 0.01 -1.26 -4.21 113.70 125.85 3i22 s SER 81 Ca 0.57 2.22 -0.17 0.00 1.31 0.00 0.00 55.95 59.88 3i22 s SER 81 Cb -0.12 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 3i22 s SER 81 CO 0.29 -0.73 0.46 -0.04 0.41 0.00 0.00 173.24 173.63 3i22 s MET 82 N 2.12 4.21 -0.10 12.44 -1.94 -1.14 -4.91 119.30 129.98 3i22 s MET 82 Ca 0.65 0.33 -0.28 0.00 -1.71 0.00 0.00 55.69 54.68 3i22 s MET 82 Cb -0.34 -3.53 -0.02 0.00 2.01 0.00 0.00 34.83 32.96 3i22 s MET 82 CO 0.28 -0.04 0.94 0.15 -0.01 0.00 0.00 175.02 176.34 3i22 s LYS 83 N 1.30 4.41 0.29 2.03 -0.14 -1.26 -1.48 119.74 124.89 3i22 s LYS 83 Ca 0.22 1.27 0.03 0.00 -1.36 0.00 0.00 55.97 56.13 3i22 s LYS 83 Cb -0.15 -3.53 -0.04 0.00 -1.68 0.00 0.00 37.83 32.43 3i22 s LYS 83 CO 0.09 -0.26 0.16 0.50 -0.76 0.00 0.00 175.35 175.08 3i22 s ARG 84 N 1.83 1.53 -0.01 1.68 6.06 -1.23 -5.00 118.95 123.81 3i22 s ARG 84 Ca 0.46 -1.86 0.03 0.00 -2.50 0.00 0.00 55.73 51.85 3i22 s ARG 84 Cb -0.18 -0.03 -0.01 0.00 0.06 0.00 0.00 34.95 34.79 3i22 s ARG 84 CO 0.18 -0.44 -0.09 0.96 -2.50 0.00 0.00 175.30 173.41 3i22 s ILE 85 N -3.69 0.68 -0.25 4.11 -5.25 -1.26 -4.40 121.20 111.14 3i22 s ILE 85 Ca 0.37 -0.36 0.01 0.00 -0.99 0.00 0.00 60.65 59.68 3i22 s ILE 85 Cb 0.05 -0.58 0.07 0.00 2.95 0.00 0.00 42.46 44.95 3i22 s ILE 85 CO 0.17 0.20 -0.03 -0.32 -1.79 0.00 0.00 174.94 173.17 3i22 s MET 86 N -0.15 1.51 -0.29 0.37 1.75 -1.19 -4.97 119.30 116.33 3i22 s MET 86 Ca 0.02 -1.09 -0.28 0.00 -1.25 0.00 0.00 55.69 53.09 3i22 s MET 86 Cb -0.04 -2.60 -0.02 0.00 2.84 0.00 0.00 34.83 35.01 3i22 s MET 86 CO -0.00 -0.67 1.82 -1.25 -0.65 0.00 0.00 175.02 174.26 3i22 s PRO 87 N 1.36 3.41 0.07 4.11 0.04 -1.26 -1.83 135.00 140.90 3i22 s PRO 87 Ca -0.02 1.57 0.01 0.00 0.04 0.00 0.00 61.00 62.59 3i22 s PRO 87 Cb -0.19 -4.19 0.01 0.00 0.04 0.00 0.00 34.50 30.17 3i22 s PRO 87 CO -0.08 -1.77 0.08 -2.13 0.04 0.00 0.00 177.00 173.14 3i22 n ARG 88 N 8.32 1.14 -1.73 4.56 0.63 0.21 -4.97 116.66 124.82 3i22 n ARG 88 Ca 0.23 -0.41 -0.38 0.00 -0.92 0.00 0.00 57.85 56.37 3i22 n ARG 88 Cb 0.46 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.43 3i22 n ARG 88 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i22 n ALA 89 N -2.89 1.36 -1.27 5.13 0.00 -1.26 -3.07 120.51 118.51 3i22 n ALA 89 Ca -0.02 0.08 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 3i22 n ALA 89 Cb 0.08 -2.33 -0.04 0.00 0.00 0.00 0.00 19.45 17.15 3i22 n ALA 89 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i22 n LYS 90 N -1.32 -1.23 -2.55 0.00 5.02 -1.26 -3.00 118.16 113.81 3i22 n LYS 90 Ca 0.13 0.78 -0.04 0.00 -2.02 0.00 0.00 58.31 57.15 3i22 n LYS 90 Cb 0.46 -4.92 0.02 0.00 -0.02 0.00 0.00 35.03 30.57 3i22 n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i22 n GLY 91 N -0.67 0.48 3.26 0.72 0.00 -1.17 -5.06 105.19 102.75 3i22 n GLY 91 Ca -0.09 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 3i22 n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i22 s ARG 92 N -4.86 2.91 -0.18 1.61 0.52 -1.16 -4.97 118.95 112.82 3i22 s ARG 92 Ca 0.07 -0.86 -0.08 0.00 -0.52 0.00 0.00 55.73 54.34 3i22 s ARG 92 Cb -0.03 -2.30 -0.04 0.00 0.52 0.00 0.00 34.95 33.10 3i22 s ARG 92 CO 0.16 0.27 0.09 0.00 0.02 0.00 0.00 175.30 175.83 3i22 s ALA 93 N 0.14 3.54 0.54 2.13 0.00 -1.26 0.67 121.76 127.51 3i22 s ALA 93 Ca -0.12 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.15 3i22 s ALA 93 Cb -0.16 -1.98 0.09 0.00 0.00 0.00 0.00 23.12 21.07 3i22 s ALA 93 CO 0.07 0.24 0.63 -0.25 0.00 0.00 0.00 175.76 176.45 3i22 n ASP 94 N 3.29 1.12 -0.11 0.00 9.92 -0.76 -4.91 116.55 125.10 3i22 n ASP 94 Ca -0.17 -1.88 -0.16 0.00 -0.53 0.00 0.00 54.79 52.04 3i22 n ASP 94 Cb 0.52 -0.39 -0.13 0.00 -0.64 0.00 0.00 41.12 40.49 3i22 n ASP 94 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3i22 n ARG 95 N -2.11 0.67 -3.63 -1.24 3.00 -1.26 -3.18 116.66 108.90 3i22 n ARG 95 Ca 0.11 0.13 -0.22 0.00 -0.00 0.00 0.00 57.85 57.87 3i22 n ARG 95 Cb 0.41 -1.55 0.00 0.00 0.00 0.00 0.00 32.46 31.32 3i22 n ARG 95 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 3i22 n ILE 96 N -3.16 -2.66 -1.90 5.15 3.06 -1.26 -3.58 119.36 115.01 3i22 n ILE 96 Ca -0.41 -0.05 -0.42 0.00 -2.50 0.00 0.00 62.75 59.38 3i22 n ILE 96 Cb 1.04 -2.36 -0.03 0.00 0.54 0.00 0.00 39.64 38.83 3i22 n ILE 96 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 3i22 s LEU 97 N -4.71 4.37 -0.92 9.51 2.01 -1.26 -3.85 118.68 123.82 3i22 s LEU 97 Ca 0.03 2.73 -0.05 0.00 0.01 0.00 0.00 54.13 56.86 3i22 s LEU 97 Cb -0.02 -3.61 0.23 0.00 0.01 0.00 0.00 46.19 42.80 3i22 s LEU 97 CO 0.76 -0.83 0.84 -0.54 1.01 0.00 0.00 176.35 177.59 3i22 s LYS 98 N 0.39 3.48 0.93 1.70 1.02 -0.55 -4.94 119.74 121.77 3i22 s LYS 98 Ca 0.66 -3.14 -0.10 0.00 0.02 0.00 0.00 55.97 53.40 3i22 s LYS 98 Cb -0.45 -4.13 0.15 0.00 -0.52 0.00 0.00 37.83 32.89 3i22 s LYS 98 CO 0.38 -1.25 1.13 1.03 -0.92 0.00 0.00 175.35 175.72 3i22 s ARG 99 N -1.11 0.93 0.00 1.68 0.52 -1.26 -2.87 118.95 116.83 3i22 s ARG 99 Ca 0.27 1.43 0.00 0.00 -0.52 0.00 0.00 55.73 56.91 3i22 s ARG 99 Cb -0.09 -1.73 0.00 0.00 0.52 0.00 0.00 34.95 33.65 3i22 s ARG 99 CO -0.10 -2.66 0.00 0.25 0.02 0.00 0.00 175.30 172.81 3i22 n THR 100 N -4.24 0.00 -3.64 0.02 -2.24 -1.20 -4.24 114.28 98.75 3i22 n THR 100 Ca 0.11 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.86 3i22 n THR 100 Cb 0.52 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.73 3i22 n THR 100 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3i22 s SER 101 N 1.00 -0.04 -0.40 3.42 1.04 -1.06 -3.31 113.70 114.35 3i22 s SER 101 Ca 0.00 0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.46 3i22 s SER 101 Cb 0.00 0.04 0.12 0.00 0.10 0.00 0.00 66.02 66.27 3i22 s SER 101 CO 0.00 -0.06 0.15 -1.00 0.98 0.00 0.00 173.24 173.32 3i22 s HIS 102 N -1.92 2.80 -0.47 5.02 3.76 0.19 -1.86 115.29 122.81 3i22 s HIS 102 Ca 0.11 -2.66 -0.28 0.00 -0.15 0.00 0.00 55.06 52.08 3i22 s HIS 102 Cb -0.01 -2.42 -0.00 0.00 1.11 0.00 0.00 32.58 31.26 3i22 s HIS 102 CO -0.04 -0.85 1.58 0.42 -0.85 0.00 0.00 174.74 175.01 3i22 s ILE 103 N 0.62 3.68 -0.19 0.60 1.09 -0.26 -1.95 121.20 124.79 3i22 s ILE 103 Ca 0.14 0.63 -0.07 0.00 -1.10 0.00 0.00 60.65 60.24 3i22 s ILE 103 Cb -0.22 -4.09 -0.04 0.00 -1.06 0.00 0.00 42.46 37.05 3i22 s ILE 103 CO -0.08 -0.82 0.06 -0.89 -0.10 0.00 0.00 174.94 173.12 3i22 s THR 104 N 6.54 4.70 0.00 2.92 2.01 -0.90 -0.55 115.64 130.36 3i22 s THR 104 Ca 0.64 -0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.60 3i22 s THR 104 Cb -0.15 -3.12 -0.01 0.00 0.01 0.00 0.00 72.50 69.23 3i22 s THR 104 CO 0.29 0.45 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.89 3i22 s VAL 105 N 0.50 0.66 -0.05 3.82 1.01 -0.60 -1.62 120.40 124.12 3i22 s VAL 105 Ca 0.03 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 3i22 s VAL 105 Cb -0.13 -0.58 0.03 0.00 0.00 0.00 0.00 36.38 35.70 3i22 s VAL 105 CO 0.01 0.09 0.00 -0.69 0.00 0.00 0.00 175.10 174.51 3i22 s VAL 106 N -0.38 0.30 -0.27 2.92 1.01 0.78 -2.26 120.40 122.50 3i22 s VAL 106 Ca 0.01 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.11 3i22 s VAL 106 Cb -0.04 -0.43 0.08 0.00 0.00 0.00 0.00 36.38 35.99 3i22 s VAL 106 CO -0.00 0.22 0.01 0.54 0.00 0.00 0.00 175.10 175.87 3i22 s VAL 107 N 1.58 1.50 0.00 2.92 0.11 -1.22 -2.10 120.40 123.19 3i22 s VAL 107 Ca -0.01 -1.49 0.00 0.00 -2.93 0.00 0.00 61.98 57.55 3i22 s VAL 107 Cb -0.13 -1.93 0.00 0.00 -1.53 0.00 0.00 36.38 32.79 3i22 s VAL 107 CO -0.03 -0.36 0.00 -0.24 -3.33 0.00 0.00 175.10 171.14 3i22 n SER 108 N 4.64 0.00 0.08 3.54 2.88 -1.25 -4.59 113.62 118.92 3i22 n SER 108 Ca -0.06 -0.92 0.07 0.00 -1.33 0.00 0.00 58.87 56.63 3i22 n SER 108 Cb 0.43 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.87 3i22 n SER 108 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 3i22 h ASP 109 N 0.00 0.00 0.00 -3.46 3.04 -1.83 -3.31 116.42 110.87 3i22 h ASP 109 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3i22 h ASP 109 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3i22 h ASP 109 CO 0.00 0.23 0.00 -1.14 -2.04 0.00 0.00 179.24 176.29