#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibm n ARG 3 N 0.00 0.87 0.00 0.00 1.74 -1.25 -4.12 116.66 113.90 1ibm n ARG 3 Ca 0.00 -2.05 0.00 0.00 -0.77 0.00 0.00 57.85 55.03 1ibm n ARG 3 Cb 0.00 -3.75 0.00 0.00 -1.02 0.00 0.00 32.46 27.69 1ibm n ARG 3 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1ibm n ILE 4 N 8.28 0.00 -0.69 0.55 5.41 -0.98 -4.82 119.36 127.12 1ibm n ILE 4 Ca 0.43 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.86 1ibm n ILE 4 Cb 0.46 -0.05 0.17 0.00 -0.71 0.00 0.00 39.64 39.51 1ibm n ILE 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ibm n ALA 5 N -3.00 -4.27 -1.52 -1.39 0.00 -1.26 -4.62 120.51 104.44 1ibm n ALA 5 Ca 0.00 -1.31 -0.54 0.00 0.00 0.00 0.00 53.44 51.59 1ibm n ALA 5 Cb 0.00 -1.48 -0.06 0.00 0.00 0.00 0.00 19.45 17.91 1ibm n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ibm n GLY 6 N 2.11 -0.23 1.22 0.00 0.00 -1.26 -0.30 105.19 106.72 1ibm n GLY 6 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1ibm n GLY 6 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ibm n VAL 7 N 1.53 0.00 -3.51 1.61 0.24 -1.26 -4.84 118.33 112.10 1ibm n VAL 7 Ca 0.18 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.17 1ibm n VAL 7 Cb 0.16 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.48 1ibm n VAL 7 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1ibm s GLU 8 N -2.34 3.73 -0.45 7.34 0.41 0.60 -5.03 118.70 122.95 1ibm s GLU 8 Ca 0.00 0.13 0.07 0.00 -0.41 0.00 0.00 54.97 54.76 1ibm s GLU 8 Cb 0.00 -2.72 0.26 0.00 -1.78 0.00 0.00 34.13 29.89 1ibm s GLU 8 CO 0.00 0.37 0.83 0.44 -0.49 0.00 0.00 175.26 176.41 1ibm n ILE 9 N -0.07 -0.17 -2.20 -1.63 -6.64 -1.26 -2.31 119.36 105.07 1ibm n ILE 9 Ca -0.01 -2.28 -0.41 0.00 -1.77 0.00 0.00 62.75 58.29 1ibm n ILE 9 Cb 0.52 0.58 -0.03 0.00 -1.44 0.00 0.00 39.64 39.28 1ibm n ILE 9 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 1ibm s PRO 10 N 0.00 4.43 0.17 6.28 0.04 -1.26 -4.88 135.00 139.77 1ibm s PRO 10 Ca 0.32 2.12 -0.15 0.00 0.04 0.00 0.00 61.00 63.32 1ibm s PRO 10 Cb 0.23 -3.10 0.02 0.00 0.04 0.00 0.00 34.50 31.69 1ibm s PRO 10 CO -0.18 -0.09 0.44 0.50 0.04 0.00 0.00 177.00 177.71 1ibm s ARG 11 N -1.70 1.24 -0.71 4.56 3.52 -1.26 -3.43 118.95 121.16 1ibm s ARG 11 Ca 0.48 -0.88 0.00 0.00 -0.13 0.00 0.00 55.73 55.20 1ibm s ARG 11 Cb -0.38 0.48 0.00 0.00 -1.56 0.00 0.00 34.95 33.49 1ibm s ARG 11 CO 0.50 -0.50 0.00 -1.71 -0.81 0.00 0.00 175.30 172.78 1ibm n ASN 12 N -0.28 -2.72 -3.64 -2.12 5.15 -1.26 -4.90 115.26 105.49 1ibm n ASN 12 Ca -0.11 0.28 -0.08 0.00 -0.60 0.00 0.00 54.58 54.07 1ibm n ASN 12 Cb 0.63 -2.43 -0.07 0.00 -0.53 0.00 0.00 39.78 37.38 1ibm n ASN 12 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1ibm s LYS 13 N -4.54 0.63 0.00 1.20 2.20 -1.26 -4.86 119.74 113.10 1ibm s LYS 13 Ca 0.00 0.92 0.00 0.00 -0.36 0.00 0.00 55.97 56.53 1ibm s LYS 13 Cb 0.00 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 1ibm s LYS 13 CO 0.00 -0.10 0.00 0.54 -0.36 0.00 0.00 175.35 175.43 1ibm n ARG 14 N 3.33 0.00 -0.11 4.03 1.74 -1.26 -3.97 116.66 120.43 1ibm n ARG 14 Ca -0.17 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.02 1ibm n ARG 14 Cb 0.57 0.00 0.47 0.00 -1.02 0.00 0.00 32.46 32.48 1ibm n ARG 14 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1ibm h VAL 15 N 0.00 0.91 0.00 1.55 2.07 -1.37 0.35 116.25 119.77 1ibm h VAL 15 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1ibm h VAL 15 Cb 0.00 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1ibm h VAL 15 CO 0.00 0.09 0.00 -0.90 0.02 0.00 0.00 177.57 176.78 1ibm n ASP 16 N -4.48 0.00 -0.33 0.57 5.68 -1.22 -0.48 116.55 116.29 1ibm n ASP 16 Ca 0.10 0.86 0.05 0.00 -0.50 0.00 0.00 54.79 55.31 1ibm n ASP 16 Cb 0.35 -0.44 0.13 0.00 -1.14 0.00 0.00 41.12 40.02 1ibm n ASP 16 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1ibm n VAL 17 N -1.83 -0.38 0.11 2.12 0.31 -1.12 -0.15 118.33 117.40 1ibm n VAL 17 Ca 0.00 2.08 -0.13 0.00 -0.01 0.00 0.00 64.34 66.28 1ibm n VAL 17 Cb 0.00 -2.88 -0.06 0.00 -0.91 0.00 0.00 33.84 29.99 1ibm n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ibm h ALA 18 N 1.82 -0.50 -0.58 3.52 0.00 -0.22 -1.31 119.26 121.99 1ibm h ALA 18 Ca 0.44 -0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.47 1ibm h ALA 18 Cb 0.66 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1ibm h ALA 18 CO -0.94 -0.84 0.50 -0.07 0.00 0.00 0.00 179.25 177.90 1ibm h LEU 19 N -0.51 0.00 -1.07 0.00 3.38 0.21 0.25 115.31 117.57 1ibm h LEU 19 Ca 0.03 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.13 1ibm h LEU 19 Cb 0.55 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.22 1ibm h LEU 19 CO -0.18 0.00 0.62 0.74 0.09 0.00 0.00 178.44 179.71 1ibm h THR 20 N 0.00 0.91 0.00 0.22 2.02 -0.70 0.84 112.91 116.20 1ibm h THR 20 Ca 0.27 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1ibm h THR 20 Cb 1.27 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1ibm h THR 20 CO -0.00 0.17 0.18 -1.22 0.37 0.00 0.00 175.52 175.01 1ibm n TYR 21 N -4.60 0.57 -1.80 3.16 4.02 0.89 -4.50 117.16 114.90 1ibm n TYR 21 Ca 0.18 0.30 -0.32 0.00 -0.01 0.00 0.00 57.90 58.05 1ibm n TYR 21 Cb 0.37 -0.85 0.03 0.00 -0.02 0.00 0.00 39.34 38.86 1ibm n TYR 21 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1ibm s ILE 22 N -3.42 4.10 0.00 -0.72 1.09 0.29 -4.98 121.20 117.56 1ibm s ILE 22 Ca -0.02 0.78 0.00 0.00 -1.10 0.00 0.00 60.65 60.32 1ibm s ILE 22 Cb 0.05 -3.48 0.00 0.00 -1.06 0.00 0.00 42.46 37.97 1ibm s ILE 22 CO 0.15 -0.79 0.83 0.00 -0.10 0.00 0.00 174.94 175.03 1ibm n TYR 23 N -2.67 0.00 -0.01 3.97 9.36 -1.26 -3.57 117.16 122.98 1ibm n TYR 23 Ca 0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.30 1ibm n TYR 23 Cb 0.53 -0.45 0.00 0.00 -0.63 0.00 0.00 39.34 38.80 1ibm n TYR 23 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ibm n GLY 24 N -0.57 2.08 3.08 2.98 0.00 -1.26 -4.82 105.19 106.68 1ibm n GLY 24 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1ibm n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ibm s ILE 25 N 0.22 0.80 0.27 -0.61 1.01 -1.23 -4.92 121.20 116.73 1ibm s ILE 25 Ca 0.00 -0.86 -0.05 0.00 0.00 0.00 0.00 60.65 59.74 1ibm s ILE 25 Cb 0.00 -0.75 -0.01 0.00 0.01 0.00 0.00 42.46 41.70 1ibm s ILE 25 CO 0.00 -0.08 0.36 -0.83 0.00 0.00 0.00 174.94 174.39 1ibm s GLY 26 N -1.05 1.21 0.57 6.18 0.00 -1.26 -4.63 107.32 108.34 1ibm s GLY 26 Ca -0.02 -1.39 0.13 0.00 0.00 0.00 0.00 44.72 43.44 1ibm s GLY 26 CO 0.01 -1.02 1.05 0.28 0.00 0.00 0.00 173.10 173.41 1ibm n LYS 27 N -0.42 0.02 0.00 2.90 4.76 -1.26 -1.72 118.16 122.43 1ibm n LYS 27 Ca 0.01 0.89 0.00 0.00 -2.87 0.00 0.00 58.31 56.34 1ibm n LYS 27 Cb 0.63 -2.30 0.00 0.00 -1.84 0.00 0.00 35.03 31.52 1ibm n LYS 27 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ibm n ALA 28 N -1.80 0.00 -0.50 7.82 0.00 -1.26 -3.17 120.51 121.59 1ibm n ALA 28 Ca 0.11 0.00 0.41 0.00 0.00 0.00 0.00 53.44 53.97 1ibm n ALA 28 Cb 1.16 0.00 0.70 0.00 0.00 0.00 0.00 19.45 21.31 1ibm n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ibm h ARG 29 N 0.00 0.04 0.85 0.00 3.08 -1.80 0.12 114.38 116.68 1ibm h ARG 29 Ca 0.00 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1ibm h ARG 29 Cb 0.00 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.05 1ibm h ARG 29 CO 0.00 0.03 -0.41 0.00 -1.07 0.00 0.00 179.97 178.52 1ibm h ALA 30 N 1.47 -1.15 -0.19 0.04 0.00 -1.50 0.41 119.26 118.34 1ibm h ALA 30 Ca 0.85 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 55.55 1ibm h ALA 30 Cb 2.88 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 21.11 1ibm h ALA 30 CO -0.33 -1.13 0.13 -0.22 0.00 0.00 0.00 179.25 177.71 1ibm h LYS 31 N -1.18 0.04 0.00 0.00 3.64 -0.79 0.36 116.57 118.63 1ibm h LYS 31 Ca -0.12 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1ibm h LYS 31 Cb 0.88 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1ibm h LYS 31 CO 0.19 0.02 0.00 -1.91 -2.27 0.00 0.00 179.45 175.49 1ibm n GLU 32 N -4.49 0.00 -0.31 1.90 2.13 -0.39 -2.06 120.64 117.42 1ibm n GLU 32 Ca 0.01 0.27 0.12 0.00 0.66 0.00 0.00 57.16 58.22 1ibm n GLU 32 Cb 0.24 -1.08 0.30 0.00 0.27 0.00 0.00 31.44 31.17 1ibm n GLU 32 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ibm h ALA 33 N -2.00 1.45 0.00 4.31 0.00 -0.10 1.78 119.26 124.70 1ibm h ALA 33 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ibm h ALA 33 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ibm h ALA 33 CO 0.00 -0.27 0.00 -0.07 0.00 0.00 0.00 179.25 178.91 1ibm h LEU 34 N 0.47 0.00 0.07 0.00 3.38 -0.39 0.67 115.31 119.51 1ibm h LEU 34 Ca 0.55 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 58.16 1ibm h LEU 34 Cb 0.99 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 1ibm h LEU 34 CO -0.48 0.00 -2.02 1.21 0.09 0.00 0.00 178.44 177.24 1ibm n GLU 35 N -3.03 0.69 -0.04 1.13 2.13 0.57 -2.20 120.64 119.88 1ibm n GLU 35 Ca -0.02 0.29 -0.12 0.00 0.66 0.00 0.00 57.16 57.98 1ibm n GLU 35 Cb 0.15 -1.66 -0.06 0.00 0.27 0.00 0.00 31.44 30.14 1ibm n GLU 35 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1ibm h LYS 36 N -0.22 0.25 -2.52 5.31 1.57 -0.04 -2.92 116.57 118.00 1ibm h LYS 36 Ca -0.47 -0.08 -0.58 0.00 -1.87 0.00 0.00 60.65 57.65 1ibm h LYS 36 Cb 1.84 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 34.06 1ibm h LYS 36 CO -0.04 0.48 2.03 2.41 -0.57 0.00 0.00 179.45 183.76 1ibm n THR 37 N -4.77 4.24 0.00 -0.16 -1.04 0.20 -4.91 114.28 107.84 1ibm n THR 37 Ca -0.05 -3.07 0.00 0.00 -2.04 0.00 0.00 64.05 58.89 1ibm n THR 37 Cb 0.21 -2.14 0.00 0.00 -1.82 0.00 0.00 70.33 66.58 1ibm n THR 37 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ibm n GLY 38 N 2.28 0.00 3.12 3.41 0.00 -1.10 -4.83 105.19 108.06 1ibm n GLY 38 Ca 0.62 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.52 1ibm n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ibm s ILE 39 N 0.00 -0.03 -0.08 -0.61 1.01 -0.93 -5.05 121.20 115.51 1ibm s ILE 39 Ca 0.00 0.10 -0.32 0.00 0.00 0.00 0.00 60.65 60.43 1ibm s ILE 39 Cb 0.00 -0.42 -0.10 0.00 0.01 0.00 0.00 42.46 41.95 1ibm s ILE 39 CO 0.00 0.04 1.98 -3.20 0.00 0.00 0.00 174.94 173.76 1ibm n ASN 40 N 3.91 3.57 -0.26 3.58 4.05 -1.26 -4.68 115.26 124.17 1ibm n ASN 40 Ca -0.22 0.82 0.17 0.00 0.45 0.00 0.00 54.58 55.80 1ibm n ASN 40 Cb 0.55 -1.44 0.46 0.00 1.23 0.00 0.00 39.78 40.58 1ibm n ASN 40 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1ibm h PRO 41 N 10.59 0.51 0.00 1.20 0.11 -1.99 -1.52 132.00 140.90 1ibm h PRO 41 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ibm h PRO 41 Cb 1.26 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ibm h PRO 41 CO 0.95 0.33 0.00 0.00 -0.21 0.00 0.00 178.00 179.08 1ibm n ALA 42 N -2.47 1.95 -1.88 -0.75 0.00 -1.26 -3.36 120.51 112.74 1ibm n ALA 42 Ca 0.19 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 1ibm n ALA 42 Cb 0.62 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 1ibm n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ibm s THR 43 N -2.70 2.47 0.36 0.00 -4.23 -0.58 -4.74 115.64 106.23 1ibm s THR 43 Ca 0.15 0.34 -0.28 0.00 -1.18 0.00 0.00 61.69 60.72 1ibm s THR 43 Cb 0.12 -3.22 -0.10 0.00 1.34 0.00 0.00 72.50 70.65 1ibm s THR 43 CO 0.30 0.03 1.32 -0.60 -0.54 0.00 0.00 174.62 175.12 1ibm s ARG 44 N 1.03 4.21 0.61 3.99 6.06 -1.26 -1.83 118.95 131.76 1ibm s ARG 44 Ca 0.70 2.22 0.32 0.00 -2.50 0.00 0.00 55.73 56.47 1ibm s ARG 44 Cb -0.45 -2.96 1.85 0.00 0.06 0.00 0.00 34.95 33.45 1ibm s ARG 44 CO 0.32 -0.31 2.20 0.28 -2.50 0.00 0.00 175.30 175.29 1ibm h VAL 45 N 2.84 0.39 0.00 7.11 2.07 -1.86 0.32 116.25 127.12 1ibm h VAL 45 Ca -0.49 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 1ibm h VAL 45 Cb 1.23 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1ibm h VAL 45 CO 0.64 0.00 -0.31 0.07 0.02 0.00 0.00 177.57 177.99 1ibm h LYS 46 N 0.00 0.00 -0.00 1.57 2.10 -1.91 -2.68 116.57 115.65 1ibm h LYS 46 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 1ibm h LYS 46 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 1ibm h LYS 46 CO -0.00 0.31 -0.25 -0.25 -2.00 0.00 0.00 179.45 177.26 1ibm n ASP 47 N -3.44 0.66 -4.76 7.07 8.00 0.11 -4.91 116.55 119.28 1ibm n ASP 47 Ca 0.00 -0.55 -0.41 0.00 0.71 0.00 0.00 54.79 54.54 1ibm n ASP 47 Cb 0.49 0.05 -0.01 0.00 -0.02 0.00 0.00 41.12 41.63 1ibm n ASP 47 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ibm s LEU 48 N -2.64 4.33 0.24 0.64 1.43 -1.01 -4.94 118.68 116.73 1ibm s LEU 48 Ca 0.22 3.01 -0.18 0.00 -1.03 0.00 0.00 54.13 56.15 1ibm s LEU 48 Cb 0.19 -3.65 -0.08 0.00 0.03 0.00 0.00 46.19 42.68 1ibm s LEU 48 CO 0.55 -0.91 0.71 -0.89 0.23 0.00 0.00 176.35 176.04 1ibm s THR 49 N -0.49 4.62 0.53 5.49 2.01 -1.26 -4.82 115.64 121.72 1ibm s THR 49 Ca 0.59 1.15 0.28 0.00 0.31 0.00 0.00 61.69 64.02 1ibm s THR 49 Cb -0.48 -3.78 0.44 0.00 0.01 0.00 0.00 72.50 68.69 1ibm s THR 49 CO 0.55 0.11 1.95 -0.08 -0.69 0.00 0.00 174.62 176.45 1ibm h GLU 50 N 3.12 0.00 0.00 4.92 4.57 -1.96 2.30 114.58 127.55 1ibm h GLU 50 Ca -0.48 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1ibm h GLU 50 Cb 1.19 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1ibm h GLU 50 CO 0.65 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 178.49 1ibm n ALA 51 N -2.68 -0.23 -0.25 2.92 0.00 -1.26 -0.85 120.51 118.16 1ibm n ALA 51 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.56 1ibm n ALA 51 Cb 0.77 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.27 1ibm n ALA 51 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ibm h GLU 52 N 0.00 -0.08 -1.01 0.00 5.08 -1.50 1.24 114.58 118.30 1ibm h GLU 52 Ca 0.00 0.01 0.29 0.00 -1.00 0.00 0.00 59.36 58.65 1ibm h GLU 52 Cb 0.00 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 1ibm h GLU 52 CO 0.00 -0.05 0.72 0.28 -1.00 0.00 0.00 179.01 178.96 1ibm h VAL 53 N -0.08 0.50 0.00 3.13 2.07 0.38 0.46 116.25 122.71 1ibm h VAL 53 Ca 0.30 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.73 1ibm h VAL 53 Cb 0.56 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1ibm h VAL 53 CO -0.76 0.01 -0.44 0.58 0.02 0.00 0.00 177.57 176.98 1ibm h VAL 54 N 0.05 1.11 -0.81 2.57 2.07 0.34 -2.62 116.25 118.95 1ibm h VAL 54 Ca 0.49 -1.98 0.13 0.00 0.82 0.00 0.00 66.70 66.16 1ibm h VAL 54 Cb 1.88 2.25 -0.09 0.00 -1.52 0.00 0.00 31.29 33.81 1ibm h VAL 54 CO -0.03 0.38 0.41 0.03 0.02 0.00 0.00 177.57 178.37 1ibm h ARG 55 N -1.00 0.61 0.59 1.57 3.08 0.48 0.98 114.38 120.69 1ibm h ARG 55 Ca -0.11 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 1ibm h ARG 55 Cb 0.91 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.83 1ibm h ARG 55 CO -0.07 0.40 -0.28 1.25 -1.07 0.00 0.00 179.97 180.20 1ibm h LEU 56 N 0.62 -0.67 -1.00 3.04 6.46 -0.28 -1.62 115.31 121.85 1ibm h LEU 56 Ca 0.43 0.02 0.39 0.00 -0.12 0.00 0.00 57.88 58.60 1ibm h LEU 56 Cb 0.56 0.17 -0.17 0.00 -0.73 0.00 0.00 40.66 40.49 1ibm h LEU 56 CO -0.33 -0.39 0.53 -0.09 -0.62 0.00 0.00 178.44 177.53 1ibm h ARG 57 N -0.98 0.09 0.31 1.25 2.43 -1.06 -1.17 114.38 115.26 1ibm h ARG 57 Ca -0.08 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1ibm h ARG 57 Cb 0.61 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1ibm h ARG 57 CO 0.13 0.06 -0.15 0.93 -1.51 0.00 0.00 179.97 179.43 1ibm h GLU 58 N 0.09 -0.41 -0.13 0.20 4.39 -0.64 -2.54 114.58 115.54 1ibm h GLU 58 Ca 0.81 0.03 0.01 0.00 0.34 0.00 0.00 59.36 60.55 1ibm h GLU 58 Cb 2.04 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.77 1ibm h GLU 58 CO -0.73 -0.27 -0.13 -0.92 -1.16 0.00 0.00 179.01 175.81 1ibm h TYR 59 N -0.56 -0.39 0.17 4.33 3.20 -0.23 -0.03 116.97 123.47 1ibm h TYR 59 Ca -0.04 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.86 1ibm h TYR 59 Cb 0.32 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 1ibm h TYR 59 CO 0.09 -0.10 -0.50 0.28 -1.64 0.00 0.00 178.16 176.29 1ibm h VAL 60 N -0.06 0.00 -0.96 1.81 2.07 -1.58 -2.08 116.25 115.45 1ibm h VAL 60 Ca 0.02 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.75 1ibm h VAL 60 Cb 0.12 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.81 1ibm h VAL 60 CO -0.15 0.00 0.62 -0.33 0.02 0.00 0.00 177.57 177.72 1ibm h GLU 61 N -0.75 0.52 -3.51 1.57 5.08 -1.35 -3.03 114.58 113.11 1ibm h GLU 61 Ca -0.01 -0.03 -0.70 0.00 -1.00 0.00 0.00 59.36 57.62 1ibm h GLU 61 Cb 0.74 -0.12 -0.35 0.00 0.50 0.00 0.00 28.75 29.52 1ibm h GLU 61 CO -0.24 0.34 -0.31 -0.80 -1.00 0.00 0.00 179.01 177.00 1ibm s ASN 62 N -5.51 5.37 0.00 1.42 0.02 -0.03 -4.40 114.94 111.80 1ibm s ASN 62 Ca -0.09 -3.05 0.00 0.00 -1.02 0.00 0.00 52.86 48.70 1ibm s ASN 62 Cb 0.24 -1.86 0.00 0.00 0.02 0.00 0.00 41.25 39.64 1ibm s ASN 62 CO 0.79 -0.33 0.00 1.07 0.02 0.00 0.00 177.10 178.65 1ibm n THR 63 N 3.23 0.00 -4.18 1.60 5.66 -1.16 -4.57 114.28 114.86 1ibm n THR 63 Ca 0.11 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 61.00 1ibm n THR 63 Cb 0.38 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.06 1ibm n THR 63 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1ibm s TRP 64 N 0.00 0.95 -0.39 1.09 0.51 -1.15 -5.08 118.94 114.87 1ibm s TRP 64 Ca 0.00 -0.90 -0.13 0.00 -2.12 0.00 0.00 56.10 52.95 1ibm s TRP 64 Cb 0.00 -0.54 0.02 0.00 -0.81 0.00 0.00 33.47 32.14 1ibm s TRP 64 CO 0.00 -0.12 0.26 0.21 -0.51 0.00 0.00 176.95 176.79 1ibm s LYS 65 N -3.83 2.94 0.08 4.98 2.20 -1.26 -4.84 119.74 120.01 1ibm s LYS 65 Ca 0.13 -1.03 0.00 0.00 -0.36 0.00 0.00 55.97 54.71 1ibm s LYS 65 Cb 0.05 -3.88 -0.00 0.00 -1.51 0.00 0.00 37.83 32.49 1ibm s LYS 65 CO -0.04 -0.72 0.00 1.28 -0.36 0.00 0.00 175.35 175.52 1ibm n LEU 66 N 5.10 0.00 0.00 5.43 4.77 -1.26 -4.64 117.00 126.39 1ibm n LEU 66 Ca -0.11 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 1ibm n LEU 66 Cb 0.47 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1ibm n LEU 66 CO 0.39 -0.07 0.00 -0.62 -1.33 0.00 0.00 177.39 175.76 1ibm n GLU 67 N -0.20 0.00 -0.18 3.23 -0.58 -1.26 -2.16 120.64 119.49 1ibm n GLU 67 Ca -0.03 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.70 1ibm n GLU 67 Cb 0.10 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 30.98 1ibm n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ibm n GLY 68 N 0.00 -1.02 0.30 0.62 0.00 -1.26 0.28 105.19 104.11 1ibm n GLY 68 Ca 0.00 0.53 0.08 0.00 0.00 0.00 0.00 46.02 46.63 1ibm n GLY 68 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ibm h GLU 69 N 0.00 0.47 0.49 1.61 4.81 -1.91 0.24 114.58 120.30 1ibm h GLU 69 Ca 0.15 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1ibm h GLU 69 Cb 0.27 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 1ibm h GLU 69 CO -0.46 0.31 -0.31 1.25 -0.73 0.00 0.00 179.01 179.07 1ibm h LEU 70 N 0.49 -0.78 -0.92 1.64 6.46 0.34 -0.42 115.31 122.12 1ibm h LEU 70 Ca 0.46 0.04 0.24 0.00 -0.12 0.00 0.00 57.88 58.51 1ibm h LEU 70 Cb 0.74 0.23 -0.13 0.00 -0.73 0.00 0.00 40.66 40.76 1ibm h LEU 70 CO -0.42 -0.47 0.41 0.03 -0.62 0.00 0.00 178.44 177.37 1ibm h ARG 71 N -0.75 0.35 -0.75 1.25 3.08 -1.33 1.06 114.38 117.28 1ibm h ARG 71 Ca -0.07 -0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.07 1ibm h ARG 71 Cb 0.60 -0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.49 1ibm h ARG 71 CO 0.07 0.23 0.37 0.00 -1.07 0.00 0.00 179.97 179.57 1ibm h ALA 72 N 1.75 1.06 -2.05 0.04 0.00 0.01 -0.61 119.26 119.47 1ibm h ALA 72 Ca 0.60 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1ibm h ALA 72 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ibm h ALA 72 CO -0.57 -0.06 0.00 -1.91 0.00 0.00 0.00 179.25 176.71 1ibm n GLU 73 N -4.87 0.00 -0.21 0.00 2.13 0.36 -2.72 120.64 115.32 1ibm n GLU 73 Ca 0.13 0.16 -0.04 0.00 0.66 0.00 0.00 57.16 58.07 1ibm n GLU 73 Cb 0.32 -1.05 -0.02 0.00 0.27 0.00 0.00 31.44 30.96 1ibm n GLU 73 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1ibm n VAL 74 N -0.98 -0.32 0.00 6.31 0.31 -0.63 0.98 118.33 123.99 1ibm n VAL 74 Ca 0.00 1.25 0.00 0.00 -0.01 0.00 0.00 64.34 65.58 1ibm n VAL 74 Cb 0.00 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 1ibm n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ibm n ALA 75 N -3.66 -0.06 0.05 3.52 0.00 -0.24 0.25 120.51 120.37 1ibm n ALA 75 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.50 1ibm n ALA 75 Cb 0.17 0.27 0.15 0.00 0.00 0.00 0.00 19.45 20.04 1ibm n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ibm n ALA 76 N -1.73 0.90 0.07 0.00 0.00 -0.26 -0.24 120.51 119.25 1ibm n ALA 76 Ca 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 53.44 53.41 1ibm n ALA 76 Cb 0.00 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.38 1ibm n ALA 76 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1ibm h ASN 77 N 0.00 0.07 0.10 0.00 -1.24 0.51 -3.14 115.58 111.89 1ibm h ASN 77 Ca 0.00 -0.07 -0.18 0.00 0.71 0.00 0.00 56.30 56.75 1ibm h ASN 77 Cb 0.13 -0.02 0.01 0.00 0.73 0.00 0.00 38.32 39.16 1ibm h ASN 77 CO 0.00 1.03 -0.86 0.40 -1.29 0.00 0.00 177.43 176.71 1ibm h ILE 78 N 0.02 1.40 -1.28 2.57 2.04 0.26 -3.21 117.51 119.31 1ibm h ILE 78 Ca -0.03 -2.45 0.38 0.00 1.00 0.00 0.00 64.86 63.76 1ibm h ILE 78 Cb 1.75 3.05 -0.09 0.00 -0.74 0.00 0.00 36.82 40.79 1ibm h ILE 78 CO 0.14 0.67 0.87 0.50 0.00 0.00 0.00 178.15 180.33 1ibm h LYS 79 N -0.49 0.14 0.00 2.37 3.11 -1.55 0.14 116.57 120.28 1ibm h LYS 79 Ca -0.17 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.66 1ibm h LYS 79 Cb 1.55 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.75 1ibm h LYS 79 CO 0.08 0.09 0.00 -2.13 -2.81 0.00 0.00 179.45 174.68 1ibm n ARG 80 N -4.44 0.00 0.00 1.90 0.63 -1.19 0.82 116.66 114.38 1ibm n ARG 80 Ca 0.31 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.67 1ibm n ARG 80 Cb 1.29 -1.41 0.02 0.00 0.45 0.00 0.00 32.46 32.81 1ibm n ARG 80 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1ibm n LEU 81 N -1.75 0.00 -0.07 6.15 -0.00 -0.28 0.46 117.00 121.51 1ibm n LEU 81 Ca 0.00 0.11 -0.03 0.00 -0.00 0.00 0.00 56.01 56.09 1ibm n LEU 81 Cb 0.00 -0.11 -0.16 0.00 -0.00 0.00 0.00 43.42 43.15 1ibm n LEU 81 CO 0.00 -0.11 -1.01 0.80 -0.00 0.00 0.00 177.39 177.07 1ibm n MET 82 N -1.11 0.77 0.08 1.47 1.56 0.32 -3.14 117.12 117.07 1ibm n MET 82 Ca 0.00 -0.07 -0.12 0.00 -0.27 0.00 0.00 57.70 57.25 1ibm n MET 82 Cb 0.00 -1.50 -0.06 0.00 2.15 0.00 0.00 33.22 33.82 1ibm n MET 82 CO 0.00 0.00 0.00 -0.44 -0.73 0.00 0.00 175.97 174.80 1ibm h ASP 83 N 0.00 0.38 -3.32 6.12 3.32 0.55 -3.45 116.42 120.02 1ibm h ASP 83 Ca -0.35 -0.33 -0.53 0.00 0.02 0.00 0.00 57.03 55.83 1ibm h ASP 83 Cb 1.79 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 41.20 1ibm h ASP 83 CO 0.02 1.16 -0.14 0.27 -1.72 0.00 0.00 179.24 178.83 1ibm s ILE 84 N -3.08 4.99 0.38 0.35 -4.36 -0.97 -4.93 121.20 113.58 1ibm s ILE 84 Ca -0.04 0.26 0.33 0.00 -0.26 0.00 0.00 60.65 60.95 1ibm s ILE 84 Cb 0.09 -3.67 0.49 0.00 1.25 0.00 0.00 42.46 40.63 1ibm s ILE 84 CO 0.85 -0.17 1.13 0.61 0.24 0.00 0.00 174.94 177.61 1ibm n GLY 85 N -0.46 -0.69 0.00 6.27 0.00 -1.26 -4.78 105.19 104.27 1ibm n GLY 85 Ca -0.01 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1ibm n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibm h TYR 87 N 0.00 -0.43 -0.95 0.00 3.20 -1.86 -2.89 116.97 114.03 1ibm h TYR 87 Ca 0.00 -0.01 0.28 0.00 3.14 0.00 0.00 58.73 62.14 1ibm h TYR 87 Cb 0.00 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 1ibm h TYR 87 CO 0.00 -0.27 0.78 0.07 -1.64 0.00 0.00 178.16 177.10 1ibm h ARG 88 N -0.65 0.00 -0.15 1.82 0.11 -1.91 2.27 114.38 115.87 1ibm h ARG 88 Ca -0.05 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.98 1ibm h ARG 88 Cb 0.36 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.42 1ibm h ARG 88 CO 0.08 0.00 -0.13 0.78 0.10 0.00 0.00 179.97 180.80 1ibm h GLY 89 N 0.00 0.25 1.35 0.08 0.00 -1.46 -1.68 103.07 101.61 1ibm h GLY 89 Ca 0.45 -0.15 -0.31 0.00 0.00 0.00 0.00 47.33 47.32 1ibm h GLY 89 CO -0.00 0.14 -1.34 1.41 0.00 0.00 0.00 176.54 176.75 1ibm h LEU 90 N 0.22 0.76 -2.54 3.11 3.38 0.39 -2.79 115.31 117.85 1ibm h LEU 90 Ca 0.05 -0.77 0.01 0.00 0.09 0.00 0.00 57.88 57.26 1ibm h LEU 90 Cb 0.37 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1ibm h LEU 90 CO 0.02 1.59 0.06 0.03 0.09 0.00 0.00 178.44 180.23 1ibm h ARG 91 N 0.17 0.00 0.22 1.13 2.47 -0.64 0.47 114.38 118.20 1ibm h ARG 91 Ca -0.20 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.19 1ibm h ARG 91 Cb 2.03 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 30.38 1ibm h ARG 91 CO 0.25 0.00 -1.43 0.45 0.56 0.00 0.00 179.97 179.79 1ibm h HIS 92 N 0.00 0.84 0.45 3.04 3.86 -1.25 0.11 115.15 122.20 1ibm h HIS 92 Ca 0.02 -0.61 -0.02 0.00 -1.16 0.00 0.00 60.37 58.59 1ibm h HIS 92 Cb 0.14 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1ibm h HIS 92 CO 0.00 1.49 -0.22 0.00 0.86 0.00 0.00 177.93 180.07 1ibm h ARG 93 N 0.13 -0.58 0.00 2.45 3.08 -0.03 -2.17 114.38 117.26 1ibm h ARG 93 Ca -0.23 0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1ibm h ARG 93 Cb 2.12 0.13 0.00 0.00 0.08 0.00 0.00 29.97 32.30 1ibm h ARG 93 CO 0.25 -0.31 0.00 0.54 -1.07 0.00 0.00 179.97 179.38 1ibm n ARG 94 N -5.29 0.60 -3.92 0.04 5.12 0.12 -4.87 116.66 108.45 1ibm n ARG 94 Ca -0.11 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.56 1ibm n ARG 94 Cb 0.29 -1.45 -0.01 0.00 -1.16 0.00 0.00 32.46 30.13 1ibm n ARG 94 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ibm n GLY 95 N 0.19 -0.25 3.40 -0.13 0.00 -0.82 -4.98 105.19 102.59 1ibm n GLY 95 Ca 0.13 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 1ibm n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ibm s LEU 96 N -6.94 2.40 0.12 0.99 1.43 -0.02 -4.44 118.68 112.22 1ibm s LEU 96 Ca 0.07 -0.83 -0.31 0.00 -1.03 0.00 0.00 54.13 52.02 1ibm s LEU 96 Cb -0.04 -1.14 -0.17 0.00 0.03 0.00 0.00 46.19 44.87 1ibm s LEU 96 CO 0.88 0.12 0.70 -0.81 0.23 0.00 0.00 176.35 177.46 1ibm n PRO 97 N 0.45 0.00 -0.23 1.29 -0.04 -1.26 -4.56 135.00 130.64 1ibm n PRO 97 Ca -0.14 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.38 1ibm n PRO 97 Cb 0.55 -1.14 0.17 0.00 -0.04 0.00 0.00 33.50 33.04 1ibm n PRO 97 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ibm n VAL 98 N 0.55 1.49 -2.41 0.52 0.31 -1.26 -4.69 118.33 112.84 1ibm n VAL 98 Ca 0.18 -1.39 -0.22 0.00 -0.01 0.00 0.00 64.34 62.90 1ibm n VAL 98 Cb 0.18 0.20 0.01 0.00 -0.91 0.00 0.00 33.84 33.32 1ibm n VAL 98 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ibm n ARG 99 N -0.10 3.08 -3.23 5.55 1.74 -1.26 -4.92 116.66 117.52 1ibm n ARG 99 Ca 0.14 -4.20 -0.16 0.00 -0.77 0.00 0.00 57.85 52.86 1ibm n ARG 99 Cb 0.57 -2.09 0.01 0.00 -1.02 0.00 0.00 32.46 29.94 1ibm n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ibm n GLY 100 N -0.49 -0.98 3.27 -0.13 0.00 -1.26 -5.04 105.19 100.56 1ibm n GLY 100 Ca 0.34 0.90 -0.15 0.00 0.00 0.00 0.00 46.02 47.11 1ibm n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ibm s GLN 101 N -3.14 1.39 0.29 1.61 1.11 -1.26 -5.14 119.66 114.52 1ibm s GLN 101 Ca 0.16 -1.76 -0.28 0.00 0.01 0.00 0.00 55.36 53.49 1ibm s GLN 101 Cb -0.03 0.06 -0.09 0.00 -1.01 0.00 0.00 33.01 31.93 1ibm s GLN 101 CO 0.81 -0.40 0.96 -0.98 0.01 0.00 0.00 175.29 175.69 1ibm s ARG 102 N -3.99 4.69 -0.00 2.91 1.70 -1.26 -4.94 118.95 118.06 1ibm s ARG 102 Ca 0.38 1.46 0.00 0.00 -0.47 0.00 0.00 55.73 57.10 1ibm s ARG 102 Cb 0.06 -3.04 0.00 0.00 -0.57 0.00 0.00 34.95 31.41 1ibm s ARG 102 CO 0.15 0.36 0.93 0.25 -1.08 0.00 0.00 175.30 175.91 1ibm n THR 103 N 1.00 0.86 0.12 4.99 -2.24 -1.26 -4.51 114.28 113.24 1ibm n THR 103 Ca 0.00 -0.87 -0.02 0.00 -2.27 0.00 0.00 64.05 60.90 1ibm n THR 103 Cb 0.48 0.57 0.10 0.00 -2.10 0.00 0.00 70.33 69.38 1ibm n THR 103 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1ibm h ARG 104 N 0.00 0.00 0.00 -0.78 2.43 -2.03 -3.47 114.38 110.54 1ibm h ARG 104 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ibm h ARG 104 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1ibm h ARG 104 CO 0.00 0.69 0.00 0.25 -1.51 0.00 0.00 179.97 179.40 1ibm n THR 105 N -3.62 0.00 -0.11 0.20 -2.24 -1.26 -5.03 114.28 102.22 1ibm n THR 105 Ca -0.01 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1ibm n THR 105 Cb 0.70 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.91 1ibm n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ibm n ASN 106 N 0.00 -0.11 -0.67 3.42 3.02 -1.26 -4.58 115.26 115.08 1ibm n ASN 106 Ca 0.00 -0.04 -0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1ibm n ASN 106 Cb 0.00 -0.04 -0.01 0.00 -0.61 0.00 0.00 39.78 39.12 1ibm n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ibm n ALA 107 N 0.43 2.24 -0.16 5.41 0.00 -1.26 -4.82 120.51 122.35 1ibm n ALA 107 Ca 0.05 -0.71 -0.09 0.00 0.00 0.00 0.00 53.44 52.70 1ibm n ALA 107 Cb 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1ibm n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ibm h ARG 108 N 0.11 0.68 -0.11 0.00 2.47 -1.88 -0.93 114.38 114.72 1ibm h ARG 108 Ca -0.09 -0.12 0.03 0.00 -1.26 0.00 0.00 59.98 58.54 1ibm h ARG 108 Cb 1.29 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 29.50 1ibm h ARG 108 CO -0.02 0.61 0.12 0.00 0.56 0.00 0.00 179.97 181.25 1ibm h THR 109 N 0.59 0.49 0.00 2.04 1.03 -1.93 1.07 112.91 116.20 1ibm h THR 109 Ca 0.15 0.00 -0.21 0.00 -0.01 0.00 0.00 66.41 66.34 1ibm h THR 109 Cb 0.19 0.90 -0.04 0.00 -1.07 0.00 0.00 68.15 68.13 1ibm h THR 109 CO -0.01 0.00 -2.17 -1.14 -0.01 0.00 0.00 175.52 172.19 1ibm n ARG 110 N -3.81 0.67 -0.06 0.00 3.00 -1.10 -4.53 116.66 110.83 1ibm n ARG 110 Ca -0.00 -0.07 -0.12 0.00 -0.00 0.00 0.00 57.85 57.66 1ibm n ARG 110 Cb 0.23 -1.54 -0.15 0.00 0.00 0.00 0.00 32.46 31.00 1ibm n ARG 110 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1ibm n LYS 111 N -2.57 0.67 0.00 -0.14 5.02 -0.37 -4.72 118.16 116.05 1ibm n LYS 111 Ca -0.20 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1ibm n LYS 111 Cb 0.91 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 1ibm n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ibm n GLY 112 N 1.77 1.04 3.78 0.72 0.00 0.36 -4.97 105.19 107.89 1ibm n GLY 112 Ca -0.28 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 1ibm n GLY 112 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ibm s PRO 113 N 0.00 4.13 0.15 1.61 0.02 -1.26 -4.81 135.00 134.85 1ibm s PRO 113 Ca 0.00 2.46 -0.30 0.00 0.02 0.00 0.00 61.00 63.17 1ibm s PRO 113 Cb 0.00 -2.96 -0.08 0.00 0.02 0.00 0.00 34.50 31.48 1ibm s PRO 113 CO 0.00 -0.47 1.26 0.50 -0.33 0.00 0.00 177.00 177.96 1ibm s ARG 114 N -2.05 4.43 -0.92 5.54 3.52 -1.26 -4.97 118.95 123.23 1ibm s ARG 114 Ca 0.53 1.94 -0.02 0.00 -0.13 0.00 0.00 55.73 58.04 1ibm s ARG 114 Cb -0.44 -3.25 0.24 0.00 -1.56 0.00 0.00 34.95 29.94 1ibm s ARG 114 CO 0.60 -0.22 0.88 1.63 -0.81 0.00 0.00 175.30 177.38 1ibm n LYS 115 N 3.03 2.89 -0.71 5.12 5.02 -1.26 -5.08 118.16 127.17 1ibm n LYS 115 Ca 0.07 -4.50 -0.32 0.00 -2.02 0.00 0.00 58.31 51.54 1ibm n LYS 115 Cb 0.44 -2.42 0.16 0.00 -0.02 0.00 0.00 35.03 33.18 1ibm n LYS 115 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1ibm n THR 116 N 2.11 0.00 -3.24 -0.18 -1.04 -1.26 -5.04 114.28 105.63 1ibm n THR 116 Ca 0.23 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1ibm n THR 116 Cb 0.37 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 1ibm n THR 116 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1ibm n VAL 117 N -4.04 0.00 -1.13 12.58 0.31 -1.26 -5.17 118.33 119.63 1ibm n VAL 117 Ca 0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.32 1ibm n VAL 117 Cb 0.54 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.53 1ibm n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ibm n ALA 118 N -3.00 -0.49 0.00 3.52 0.00 -1.26 -5.36 120.51 113.92 1ibm n ALA 118 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1ibm n ALA 118 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1ibm n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91