#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i02 s ILE 2 N 0.00 4.44 -0.21 5.18 1.01 -1.26 -5.03 121.20 125.32 3i02 s ILE 2 Ca 0.00 1.73 -0.13 0.00 0.00 0.00 0.00 60.65 62.25 3i02 s ILE 2 Cb 0.00 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 3i02 s ILE 2 CO 0.00 0.47 0.28 -0.69 0.00 0.00 0.00 174.94 175.00 3i02 s VAL 3 N -0.83 5.29 -0.26 2.92 1.01 -1.26 -4.87 120.40 122.40 3i02 s VAL 3 Ca 0.37 0.45 -0.04 0.00 0.00 0.00 0.00 61.98 62.77 3i02 s VAL 3 Cb -0.23 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.55 3i02 s VAL 3 CO 0.26 0.32 -0.02 -0.04 0.00 0.00 0.00 175.10 175.62 3i02 s MET 4 N 1.05 3.04 -0.08 2.72 1.00 -1.26 -1.01 119.30 124.77 3i02 s MET 4 Ca 0.14 -0.86 0.05 0.00 0.00 0.00 0.00 55.69 55.01 3i02 s MET 4 Cb -0.14 -3.10 -0.00 0.00 0.00 0.00 0.00 34.83 31.59 3i02 s MET 4 CO 0.05 -0.36 -0.23 0.95 0.00 0.00 0.00 175.02 175.43 3i02 s THR 5 N 1.41 1.98 0.09 2.05 -4.23 -0.56 -4.01 115.64 112.38 3i02 s THR 5 Ca 0.02 -0.99 0.06 0.00 -1.18 0.00 0.00 61.69 59.60 3i02 s THR 5 Cb -0.16 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 3i02 s THR 5 CO -0.02 0.55 -0.07 -1.10 -0.54 0.00 0.00 174.62 173.44 3i02 s GLN 6 N 0.17 2.28 -0.03 3.99 -0.21 -1.26 -0.94 119.66 123.65 3i02 s GLN 6 Ca -0.13 -0.95 -0.07 0.00 0.02 0.00 0.00 55.36 54.23 3i02 s GLN 6 Cb -0.16 -2.39 0.01 0.00 1.00 0.00 0.00 33.01 31.47 3i02 s GLN 6 CO 0.07 0.52 0.16 0.45 -2.12 0.00 0.00 175.29 174.36 3i02 s SER 7 N -2.20 -0.07 0.89 5.90 0.15 -0.28 -4.37 113.70 113.72 3i02 s SER 7 Ca 0.22 0.06 -0.12 0.00 0.70 0.00 0.00 55.95 56.81 3i02 s SER 7 Cb -0.11 0.28 0.13 0.00 -1.71 0.00 0.00 66.02 64.60 3i02 s SER 7 CO 0.15 -0.22 1.12 -2.16 1.20 0.00 0.00 173.24 173.32 3i02 s PRO 8 N -0.68 1.31 0.22 5.44 0.04 -1.26 0.22 135.00 140.28 3i02 s PRO 8 Ca -0.08 0.44 -0.09 0.00 0.04 0.00 0.00 61.00 61.32 3i02 s PRO 8 Cb -0.05 -1.85 0.18 0.00 0.04 0.00 0.00 34.50 32.83 3i02 s PRO 8 CO 0.01 -2.11 1.85 1.03 0.04 0.00 0.00 177.00 177.82 3i02 h SER 9 N -1.44 1.00 -5.01 6.66 0.87 -1.84 -3.41 113.55 110.39 3i02 h SER 9 Ca -0.50 -0.08 -0.06 0.00 -1.23 0.00 0.00 61.79 59.92 3i02 h SER 9 Cb 1.31 -0.25 -0.17 0.00 -0.44 0.00 0.00 62.40 62.85 3i02 h SER 9 CO 0.60 0.79 0.08 -0.94 -0.53 0.00 0.00 176.83 176.83 3i02 s SER 10 N -6.09 -0.49 0.21 6.23 1.04 -1.26 -1.82 113.70 111.52 3i02 s SER 10 Ca -0.13 0.28 -0.09 0.00 0.48 0.00 0.00 55.95 56.49 3i02 s SER 10 Cb 0.16 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.77 3i02 s SER 10 CO 0.81 -0.71 0.34 -1.48 0.98 0.00 0.00 173.24 173.18 3i02 s LEU 11 N -1.84 0.69 -0.10 2.42 2.34 -0.55 -4.93 118.68 116.72 3i02 s LEU 11 Ca -0.06 -1.02 -0.02 0.00 0.06 0.00 0.00 54.13 53.09 3i02 s LEU 11 Cb -0.01 1.28 0.03 0.00 -0.56 0.00 0.00 46.19 46.94 3i02 s LEU 11 CO 0.00 -1.00 0.01 0.00 -1.06 0.00 0.00 176.35 174.30 3i02 s ALA 12 N -4.04 0.77 0.02 1.48 0.00 -1.26 -0.09 121.76 118.64 3i02 s ALA 12 Ca 0.25 -0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.00 3i02 s ALA 12 Cb 0.02 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 3i02 s ALA 12 CO 0.07 -0.61 -0.14 0.08 0.00 0.00 0.00 175.76 175.17 3i02 s VAL 13 N 1.95 1.07 0.19 0.00 1.01 -0.58 -4.77 120.40 119.28 3i02 s VAL 13 Ca 0.04 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 3i02 s VAL 13 Cb -0.13 -0.95 -0.08 0.00 0.00 0.00 0.00 36.38 35.22 3i02 s VAL 13 CO -0.06 0.11 0.96 -0.44 0.00 0.00 0.00 175.10 175.67 3i02 s SER 14 N -0.84 7.57 -0.09 3.32 0.01 -1.26 -1.87 113.70 120.54 3i02 s SER 14 Ca 0.03 1.92 -0.39 0.00 1.31 0.00 0.00 55.95 58.81 3i02 s SER 14 Cb -0.07 -2.60 -0.17 0.00 0.21 0.00 0.00 66.02 63.39 3i02 s SER 14 CO 0.01 0.05 1.46 0.00 0.41 0.00 0.00 173.24 175.17 3i02 n ALA 15 N 1.96 -1.07 0.00 1.44 0.00 -1.26 -1.49 120.51 120.09 3i02 n ALA 15 Ca -0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3i02 n ALA 15 Cb 0.48 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.85 3i02 n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i02 n GLY 16 N 3.07 1.59 3.87 0.00 0.00 0.14 -4.88 105.19 108.98 3i02 n GLY 16 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 3i02 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i02 s GLU 17 N -0.09 3.11 0.35 1.61 8.01 -0.56 -3.79 118.70 127.34 3i02 s GLU 17 Ca 0.00 0.59 -0.23 0.00 0.01 0.00 0.00 54.97 55.35 3i02 s GLU 17 Cb 0.00 -2.04 -0.10 0.00 -4.31 0.00 0.00 34.13 27.68 3i02 s GLU 17 CO 0.00 -0.89 0.90 0.21 0.01 0.00 0.00 175.26 175.50 3i02 s LYS 18 N -5.28 4.37 0.00 1.61 2.20 -1.26 -1.27 119.74 120.12 3i02 s LYS 18 Ca 0.57 1.15 0.05 0.00 -0.36 0.00 0.00 55.97 57.38 3i02 s LYS 18 Cb -0.11 -2.56 -0.01 0.00 -1.51 0.00 0.00 37.83 33.64 3i02 s LYS 18 CO 0.53 0.17 -0.15 0.08 -0.36 0.00 0.00 175.35 175.62 3i02 s VAL 19 N -1.84 1.19 -0.02 4.02 1.01 -0.15 -4.98 120.40 119.64 3i02 s VAL 19 Ca 0.54 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3i02 s VAL 19 Cb -0.14 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.24 3i02 s VAL 19 CO 0.19 0.26 -0.01 -0.89 0.00 0.00 0.00 175.10 174.64 3i02 s THR 20 N -0.48 0.19 0.11 3.92 2.01 -1.26 -0.79 115.64 119.35 3i02 s THR 20 Ca 0.05 -0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.09 3i02 s THR 20 Cb -0.06 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.17 3i02 s THR 20 CO -0.00 0.11 -0.11 0.00 -0.69 0.00 0.00 174.62 173.93 3i02 s MET 21 N 0.54 0.91 0.02 4.92 0.23 -0.83 -4.79 119.30 120.30 3i02 s MET 21 Ca -0.05 -1.22 0.02 0.00 -1.03 0.00 0.00 55.69 53.41 3i02 s MET 21 Cb -0.08 -0.60 -0.04 0.00 -1.53 0.00 0.00 34.83 32.58 3i02 s MET 21 CO -0.01 0.09 0.02 -1.12 -2.03 0.00 0.00 175.02 171.97 3i02 s SER 22 N -2.57 5.22 -0.08 -1.18 0.01 0.59 -2.20 113.70 113.50 3i02 s SER 22 Ca 0.08 -0.01 -0.03 0.00 1.31 0.00 0.00 55.95 57.29 3i02 s SER 22 Cb -0.02 -1.37 0.05 0.00 0.21 0.00 0.00 66.02 64.89 3i02 s SER 22 CO 0.00 0.25 0.14 0.00 0.41 0.00 0.00 173.24 174.05 3i02 s LYS 24 N 2.27 1.93 -0.01 0.00 1.02 -0.12 -0.85 119.74 123.98 3i02 s LYS 24 Ca 0.04 -1.04 0.04 0.00 0.02 0.00 0.00 55.97 55.03 3i02 s LYS 24 Cb -0.12 -2.05 -0.03 0.00 -0.52 0.00 0.00 37.83 35.11 3i02 s LYS 24 CO -0.05 0.53 -0.13 -1.54 -0.92 0.00 0.00 175.35 173.24 3i02 s SER 25 N -1.19 4.16 0.22 2.83 1.04 -0.37 -1.50 113.70 118.90 3i02 s SER 25 Ca 0.12 -0.24 0.21 0.00 0.48 0.00 0.00 55.95 56.52 3i02 s SER 25 Cb -0.10 -0.86 0.93 0.00 0.10 0.00 0.00 66.02 66.09 3i02 s SER 25 CO 0.02 0.30 1.64 -1.54 0.98 0.00 0.00 173.24 174.65 3i02 n SER 26 N 1.85 0.54 -3.82 7.02 3.41 -0.18 -4.69 113.62 117.75 3i02 n SER 26 Ca -0.16 0.65 -0.12 0.00 -0.26 0.00 0.00 58.87 58.98 3i02 n SER 26 Cb 0.52 -0.76 -0.13 0.00 -0.26 0.00 0.00 64.21 63.59 3i02 n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3i02 s GLN 27 N -3.30 0.16 0.00 4.33 -0.21 -1.26 -4.94 119.66 114.44 3i02 s GLN 27 Ca 0.03 0.19 0.00 0.00 0.02 0.00 0.00 55.36 55.61 3i02 s GLN 27 Cb 0.08 0.08 0.00 0.00 1.00 0.00 0.00 33.01 34.17 3i02 s GLN 27 CO 0.33 -0.02 0.00 0.45 -2.12 0.00 0.00 175.29 173.93 3i02 n SER 27 N 3.01 -1.01 -2.01 5.90 2.88 -1.26 -4.78 113.62 116.35 3i02 n SER 27 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 3i02 n SER 27 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 3i02 n SER 27 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3i02 n LEU 27 N 0.00 -6.19 -4.61 2.46 7.94 -1.26 -4.99 117.00 110.35 3i02 n LEU 27 Ca 0.00 3.31 -0.41 0.00 -1.11 0.00 0.00 56.01 57.80 3i02 n LEU 27 Cb 0.00 -3.22 -0.06 0.00 0.53 0.00 0.00 43.42 40.67 3i02 n LEU 27 CO 0.00 -1.14 0.42 0.21 -1.11 0.00 0.00 177.39 175.77 3i02 s ASN 27 N -1.34 6.56 0.52 1.96 3.84 0.13 -4.95 114.94 121.66 3i02 s ASN 27 Ca 0.00 0.59 0.17 0.00 0.21 0.00 0.00 52.86 53.83 3i02 s ASN 27 Cb 0.00 -2.35 1.29 0.00 -0.55 0.00 0.00 41.25 39.64 3i02 s ASN 27 CO 0.00 -0.45 2.13 0.77 -2.79 0.00 0.00 177.10 176.76 3i02 h SER 27 N 8.05 0.00 0.10 -4.21 4.64 -1.97 0.41 113.55 120.56 3i02 h SER 27 Ca -0.26 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.89 3i02 h SER 27 Cb 1.12 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.21 3i02 h SER 27 CO 0.80 0.00 -0.82 -0.09 -0.87 0.00 0.00 176.83 175.86 3i02 h ARG 27 N 0.00 0.21 0.00 4.77 2.43 -1.96 -3.35 114.38 116.48 3i02 h ARG 27 Ca 0.03 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 3i02 h ARG 27 Cb 0.11 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3i02 h ARG 27 CO -0.00 1.17 -0.35 0.25 -1.51 0.00 0.00 179.97 179.53 3i02 n THR 28 N -4.20 0.16 -2.11 0.20 -2.24 -1.15 -4.91 114.28 100.03 3i02 n THR 28 Ca -0.17 -0.10 -0.18 0.00 -2.27 0.00 0.00 64.05 61.32 3i02 n THR 28 Cb 0.76 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 3i02 n THR 28 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i02 n ARG 29 N -1.75 -1.69 -4.25 -0.78 1.74 0.12 -4.96 116.66 105.09 3i02 n ARG 29 Ca 0.05 0.96 -0.25 0.00 -0.77 0.00 0.00 57.85 57.84 3i02 n ARG 29 Cb 0.37 -5.50 -0.08 0.00 -1.02 0.00 0.00 32.46 26.24 3i02 n ARG 29 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3i02 s LYS 30 N -4.53 2.33 -0.19 5.56 1.02 -1.22 -4.92 119.74 117.78 3i02 s LYS 30 Ca 0.00 -1.26 -0.02 0.00 0.02 0.00 0.00 55.97 54.71 3i02 s LYS 30 Cb 0.00 -2.25 -0.01 0.00 -0.52 0.00 0.00 37.83 35.05 3i02 s LYS 30 CO 0.00 0.41 -0.10 -0.80 -0.92 0.00 0.00 175.35 173.94 3i02 s ASN 31 N -3.27 4.01 -1.04 2.83 -0.87 -1.26 -0.69 114.94 114.65 3i02 s ASN 31 Ca 0.29 -0.42 -0.17 0.00 -1.57 0.00 0.00 52.86 50.99 3i02 s ASN 31 Cb -0.08 -1.65 0.14 0.00 -0.02 0.00 0.00 41.25 39.64 3i02 s ASN 31 CO 0.19 0.04 1.26 -0.31 -2.57 0.00 0.00 177.10 175.71 3i02 s TYR 32 N 1.10 3.21 -0.14 2.20 2.02 -1.26 -3.34 117.35 121.15 3i02 s TYR 32 Ca 0.01 -1.62 -0.10 0.00 -0.37 0.00 0.00 57.07 54.98 3i02 s TYR 32 Cb -0.15 -4.32 0.05 0.00 -0.40 0.00 0.00 41.96 37.14 3i02 s TYR 32 CO -0.02 -1.48 0.35 -1.17 -1.57 0.00 0.00 175.55 171.66 3i02 s LEU 33 N 2.45 0.32 0.17 -1.29 1.98 -1.26 -1.83 118.68 119.22 3i02 s LEU 33 Ca 0.37 0.74 0.06 0.00 -2.89 0.00 0.00 54.13 52.42 3i02 s LEU 33 Cb -0.04 1.17 -0.05 0.00 0.66 0.00 0.00 46.19 47.94 3i02 s LEU 33 CO -0.06 -0.16 -0.12 0.00 -1.89 0.00 0.00 176.35 174.12 3i02 s ALA 34 N 0.86 1.71 -0.04 5.97 0.00 -0.07 -0.52 121.76 129.67 3i02 s ALA 34 Ca -0.06 -1.56 0.07 0.00 0.00 0.00 0.00 51.96 50.41 3i02 s ALA 34 Cb -0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 3i02 s ALA 34 CO -0.06 -0.01 -0.25 -1.58 0.00 0.00 0.00 175.76 173.86 3i02 s TRP 35 N -3.11 2.42 0.04 0.00 0.52 -0.24 -1.26 118.94 117.31 3i02 s TRP 35 Ca 0.19 -0.56 0.07 0.00 0.02 0.00 0.00 56.10 55.82 3i02 s TRP 35 Cb 0.01 -1.56 -0.02 0.00 -1.15 0.00 0.00 33.47 30.74 3i02 s TRP 35 CO 0.03 -0.11 -0.20 0.71 0.02 0.00 0.00 176.95 177.40 3i02 s TYR 36 N -0.39 1.78 -0.13 -1.98 1.51 0.02 -0.57 117.35 117.59 3i02 s TYR 36 Ca 0.03 -0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 55.69 3i02 s TYR 36 Cb -0.12 -1.06 -0.03 0.00 -0.11 0.00 0.00 41.96 40.64 3i02 s TYR 36 CO 0.01 0.09 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.35 3i02 s GLN 37 N -1.17 3.46 -0.33 -0.62 0.74 0.22 -1.71 119.66 120.26 3i02 s GLN 37 Ca 0.07 -0.54 0.01 0.00 0.05 0.00 0.00 55.36 54.95 3i02 s GLN 37 Cb -0.09 -2.82 0.10 0.00 1.10 0.00 0.00 33.01 31.31 3i02 s GLN 37 CO 0.02 0.33 0.09 -1.14 -0.55 0.00 0.00 175.29 174.04 3i02 s GLN 38 N 0.12 0.95 0.70 1.67 0.74 -0.47 0.44 119.66 123.80 3i02 s GLN 38 Ca -0.02 -1.34 -0.14 0.00 0.05 0.00 0.00 55.36 53.91 3i02 s GLN 38 Cb -0.14 -2.34 0.02 0.00 1.10 0.00 0.00 33.01 31.65 3i02 s GLN 38 CO 0.03 -0.98 1.12 0.15 -0.55 0.00 0.00 175.29 175.05 3i02 s LYS 39 N 1.35 2.57 0.15 1.67 1.02 -1.26 -1.19 119.74 124.05 3i02 s LYS 39 Ca 0.11 1.39 -0.34 0.00 0.02 0.00 0.00 55.97 57.14 3i02 s LYS 39 Cb -0.18 -1.92 -0.15 0.00 -0.52 0.00 0.00 37.83 35.06 3i02 s LYS 39 CO -0.19 -1.43 1.37 -0.35 -0.92 0.00 0.00 175.35 173.83 3i02 n PRO 40 N -2.73 1.56 -2.26 -1.68 -0.04 -1.26 -1.82 135.00 126.78 3i02 n PRO 40 Ca 0.10 0.56 -0.18 0.00 -0.04 0.00 0.00 63.50 63.94 3i02 n PRO 40 Cb 0.52 -2.21 -0.02 0.00 -0.04 0.00 0.00 33.50 31.76 3i02 n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i02 n GLY 41 N 2.58 -0.14 3.25 0.55 0.00 -1.26 -4.99 105.19 105.18 3i02 n GLY 41 Ca 0.16 -0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 3i02 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i02 s GLN 42 N -4.76 1.06 0.57 1.61 -0.21 -0.76 -5.14 119.66 112.04 3i02 s GLN 42 Ca 0.00 -1.42 -0.18 0.00 0.02 0.00 0.00 55.36 53.78 3i02 s GLN 42 Cb 0.00 -0.68 -0.04 0.00 1.00 0.00 0.00 33.01 33.29 3i02 s GLN 42 CO 0.00 0.09 1.11 -1.12 -2.12 0.00 0.00 175.29 173.25 3i02 s SER 43 N -3.06 5.63 0.94 5.90 0.01 -1.26 -4.68 113.70 117.16 3i02 s SER 43 Ca 0.16 2.06 -0.11 0.00 1.31 0.00 0.00 55.95 59.36 3i02 s SER 43 Cb 0.01 -2.57 0.09 0.00 0.21 0.00 0.00 66.02 63.76 3i02 s SER 43 CO 0.01 -1.28 0.74 -2.65 0.41 0.00 0.00 173.24 170.47 3i02 n PRO 44 N -1.65 -0.38 -3.78 12.44 -0.02 -1.26 -4.68 135.00 135.67 3i02 n PRO 44 Ca 0.11 -0.06 -0.14 0.00 -2.02 0.00 0.00 63.50 61.39 3i02 n PRO 44 Cb 0.52 -2.09 -0.15 0.00 -0.02 0.00 0.00 33.50 31.75 3i02 n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3i02 s LYS 45 N -4.09 -0.01 0.21 -0.52 2.20 0.17 -4.93 119.74 112.76 3i02 s LYS 45 Ca 0.61 0.19 -0.30 0.00 -0.36 0.00 0.00 55.97 56.11 3i02 s LYS 45 Cb -0.22 -0.20 -0.08 0.00 -1.51 0.00 0.00 37.83 35.81 3i02 s LYS 45 CO 0.63 -0.14 1.18 -1.17 -0.36 0.00 0.00 175.35 175.49 3i02 s LEU 46 N 0.93 4.47 0.01 5.43 2.96 -1.26 0.73 118.68 131.94 3i02 s LEU 46 Ca -0.08 2.26 -0.05 0.00 -0.22 0.00 0.00 54.13 56.04 3i02 s LEU 46 Cb -0.11 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 3i02 s LEU 46 CO -0.03 -0.34 -0.10 0.18 -1.32 0.00 0.00 176.35 174.75 3i02 n LEU 47 N 2.20 1.18 -4.29 -0.68 4.77 0.27 -4.85 117.00 115.60 3i02 n LEU 47 Ca 0.03 0.17 -0.24 0.00 -0.03 0.00 0.00 56.01 55.95 3i02 n LEU 47 Cb 0.45 -0.43 -0.12 0.00 -2.33 0.00 0.00 43.42 40.99 3i02 n LEU 47 CO 0.56 -0.58 -0.51 -0.63 -1.33 0.00 0.00 177.39 174.89 3i02 s ILE 48 N -2.10 1.71 0.19 -0.08 -1.09 -1.13 -0.13 121.20 118.57 3i02 s ILE 48 Ca -0.08 -1.55 0.00 0.00 -2.23 0.00 0.00 60.65 56.79 3i02 s ILE 48 Cb 0.01 -1.56 -0.04 0.00 -1.58 0.00 0.00 42.46 39.29 3i02 s ILE 48 CO 0.12 -0.07 0.07 0.72 -1.23 0.00 0.00 174.94 174.55 3i02 s PHE 49 N -1.18 1.18 -1.66 3.97 -0.71 -0.42 -1.08 117.98 118.08 3i02 s PHE 49 Ca 0.06 -1.20 0.00 0.00 -1.04 0.00 0.00 56.93 54.75 3i02 s PHE 49 Cb -0.10 -0.65 0.00 0.00 -1.21 0.00 0.00 43.02 41.06 3i02 s PHE 49 CO 0.04 -0.43 0.00 0.91 -1.34 0.00 0.00 175.22 174.40 3i02 n TRP 50 N -0.26 -0.59 0.00 3.49 8.01 -1.00 -0.81 117.44 126.27 3i02 n TRP 50 Ca -0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.16 3i02 n TRP 50 Cb 0.65 -3.18 0.00 0.00 -2.01 0.00 0.00 31.31 26.76 3i02 n TRP 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3i02 n ALA 51 N -0.30 0.00 -0.45 6.99 0.00 0.32 -4.26 120.51 122.82 3i02 n ALA 51 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3i02 n ALA 51 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3i02 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i02 n SER 52 N 1.96 0.34 -4.45 0.00 3.41 -1.18 -3.09 113.62 110.61 3i02 n SER 52 Ca 0.00 -0.83 -0.43 0.00 -0.26 0.00 0.00 58.87 57.34 3i02 n SER 52 Cb 0.00 0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.00 3i02 n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3i02 s THR 53 N -0.09 4.53 0.50 6.66 2.01 0.01 -4.64 115.64 124.61 3i02 s THR 53 Ca 0.00 -0.34 -0.22 0.00 0.31 0.00 0.00 61.69 61.44 3i02 s THR 53 Cb 0.00 -4.54 -0.08 0.00 0.01 0.00 0.00 72.50 67.88 3i02 s THR 53 CO 0.00 -1.20 1.00 -1.14 -0.69 0.00 0.00 174.62 172.59 3i02 n ARG 54 N 7.13 1.21 -3.07 4.92 0.63 -1.26 -1.30 116.66 124.91 3i02 n ARG 54 Ca -0.04 0.44 -0.37 0.00 -0.92 0.00 0.00 57.85 56.96 3i02 n ARG 54 Cb 0.45 -2.11 -0.06 0.00 0.45 0.00 0.00 32.46 31.19 3i02 n ARG 54 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 3i02 s GLU 55 N -2.31 4.32 0.23 -0.14 2.56 0.81 -4.83 118.70 119.35 3i02 s GLU 55 Ca 0.68 0.94 -0.30 0.00 0.00 0.00 0.00 54.97 56.29 3i02 s GLU 55 Cb -0.49 -2.95 -0.15 0.00 2.00 0.00 0.00 34.13 32.53 3i02 s GLU 55 CO 0.53 0.43 0.98 0.45 -0.56 0.00 0.00 175.26 177.09 3i02 n SER 56 N 0.90 0.85 0.00 -1.70 2.88 -1.26 -1.18 113.62 114.10 3i02 n SER 56 Ca -0.03 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 3i02 n SER 56 Cb 0.51 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 3i02 n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i02 n GLY 57 N 1.62 2.73 3.68 0.46 0.00 -1.26 -4.99 105.19 107.43 3i02 n GLY 57 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3i02 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i02 s VAL 58 N -1.06 3.09 0.32 1.61 1.01 -0.33 -4.95 120.40 120.09 3i02 s VAL 58 Ca 0.00 0.43 -0.29 0.00 0.00 0.00 0.00 61.98 62.13 3i02 s VAL 58 Cb 0.00 -3.28 -0.12 0.00 0.00 0.00 0.00 36.38 32.98 3i02 s VAL 58 CO 0.00 -0.01 1.34 -0.81 0.00 0.00 0.00 175.10 175.62 3i02 n PRO 59 N 6.10 2.16 -0.02 2.72 -0.04 -1.26 -4.87 135.00 139.79 3i02 n PRO 59 Ca 0.17 0.76 0.07 0.00 -0.04 0.00 0.00 63.50 64.46 3i02 n PRO 59 Cb 0.41 -2.37 0.39 0.00 -0.04 0.00 0.00 33.50 31.89 3i02 n PRO 59 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3i02 n ASP 60 N 1.13 0.29 0.01 3.54 5.75 -1.26 -2.29 116.55 123.72 3i02 n ASP 60 Ca 0.06 -1.61 0.09 0.00 -0.01 0.00 0.00 54.79 53.33 3i02 n ASP 60 Cb 0.35 -0.02 0.39 0.00 -1.03 0.00 0.00 41.12 40.81 3i02 n ASP 60 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 3i02 n ARG 61 N -0.53 0.02 -3.25 0.11 1.85 -1.26 -4.50 116.66 109.10 3i02 n ARG 61 Ca 0.11 0.20 -0.40 0.00 -1.00 0.00 0.00 57.85 56.76 3i02 n ARG 61 Cb 0.09 -1.53 -0.08 0.00 -1.05 0.00 0.00 32.46 29.90 3i02 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3i02 s PHE 62 N -3.02 3.22 -0.05 2.89 0.40 -0.97 -2.10 117.98 118.35 3i02 s PHE 62 Ca 0.09 0.43 0.01 0.00 -0.60 0.00 0.00 56.93 56.86 3i02 s PHE 62 Cb 0.12 -2.81 0.02 0.00 0.51 0.00 0.00 43.02 40.86 3i02 s PHE 62 CO 0.34 -0.39 -0.08 0.99 0.70 0.00 0.00 175.22 176.78 3i02 s THR 63 N 2.34 0.79 0.07 0.64 2.01 -0.49 -4.93 115.64 116.07 3i02 s THR 63 Ca 0.20 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.95 3i02 s THR 63 Cb -0.15 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 3i02 s THR 63 CO 0.11 0.28 0.11 -0.83 -0.69 0.00 0.00 174.62 173.60 3i02 s GLY 64 N 0.84 2.06 0.29 4.40 0.00 -1.26 0.05 107.32 113.70 3i02 s GLY 64 Ca -0.12 -0.96 -0.08 0.00 0.00 0.00 0.00 44.72 43.56 3i02 s GLY 64 CO 0.01 -0.93 0.47 -0.56 0.00 0.00 0.00 173.10 172.09 3i02 s SER 65 N -2.35 0.33 0.00 1.64 0.01 0.29 -4.23 113.70 109.39 3i02 s SER 65 Ca 0.30 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.36 3i02 s SER 65 Cb -0.12 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.72 3i02 s SER 65 CO 0.22 -1.21 0.00 0.61 0.41 0.00 0.00 173.24 173.27 3i02 n GLY 66 N -0.45 -0.09 3.64 3.44 0.00 -1.26 -0.96 105.19 109.51 3i02 n GLY 66 Ca -0.01 -2.29 -0.05 0.00 0.00 0.00 0.00 46.02 43.67 3i02 n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i02 s SER 67 N -0.37 -0.20 0.00 1.61 0.15 -0.54 -4.94 113.70 109.41 3i02 s SER 67 Ca 0.00 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.01 3i02 s SER 67 Cb 0.00 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 3i02 s SER 67 CO 0.00 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.97 3i02 n GLY 68 N 1.62 2.19 0.00 9.45 0.00 -1.26 -3.00 105.19 114.19 3i02 n GLY 68 Ca -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3i02 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i02 n THR 69 N 0.00 0.00 -3.97 2.61 -2.24 -1.26 -4.13 114.28 105.29 3i02 n THR 69 Ca 0.00 -0.26 -0.31 0.00 -2.27 0.00 0.00 64.05 61.21 3i02 n THR 69 Cb 0.00 1.24 -0.16 0.00 -2.10 0.00 0.00 70.33 69.31 3i02 n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i02 s ASP 70 N -0.26 3.87 0.33 3.42 -1.08 -1.16 -1.24 116.67 120.55 3i02 s ASP 70 Ca 0.00 -1.16 0.04 0.00 -0.52 0.00 0.00 52.55 50.91 3i02 s ASP 70 Cb 0.00 -1.26 -0.06 0.00 -1.46 0.00 0.00 42.92 40.14 3i02 s ASP 70 CO 0.00 -0.21 0.06 -0.36 0.52 0.00 0.00 175.17 175.18 3i02 s PHE 71 N 1.34 1.98 -0.08 -5.34 0.40 -0.03 -1.47 117.98 114.78 3i02 s PHE 71 Ca -0.06 -0.95 -0.22 0.00 -0.60 0.00 0.00 56.93 55.11 3i02 s PHE 71 Cb -0.19 -1.29 0.05 0.00 0.51 0.00 0.00 43.02 42.10 3i02 s PHE 71 CO -0.06 0.02 0.50 0.99 0.70 0.00 0.00 175.22 177.37 3i02 s THR 72 N -3.29 0.02 -0.13 0.64 2.01 -0.13 -2.08 115.64 112.68 3i02 s THR 72 Ca 0.37 -0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.21 3i02 s THR 72 Cb 0.09 -0.79 0.01 0.00 0.01 0.00 0.00 72.50 71.83 3i02 s THR 72 CO 0.16 -0.10 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.60 3i02 s LEU 73 N -0.83 1.83 -0.13 4.42 2.96 -0.93 -0.55 118.68 125.45 3i02 s LEU 73 Ca -0.09 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.31 3i02 s LEU 73 Cb -0.03 -1.21 -0.02 0.00 0.50 0.00 0.00 46.19 45.43 3i02 s LEU 73 CO 0.05 0.02 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.14 3i02 s THR 74 N 1.04 3.63 -0.37 3.68 2.01 0.11 -1.96 115.64 123.79 3i02 s THR 74 Ca -0.04 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.50 3i02 s THR 74 Cb -0.15 -2.55 0.10 0.00 0.01 0.00 0.00 72.50 69.92 3i02 s THR 74 CO -0.04 0.53 0.11 -0.63 -0.69 0.00 0.00 174.62 173.90 3i02 s ILE 75 N 0.06 2.71 0.41 1.82 1.01 0.03 -1.39 121.20 125.86 3i02 s ILE 75 Ca -0.02 -2.18 -0.24 0.00 0.00 0.00 0.00 60.65 58.21 3i02 s ILE 75 Cb -0.14 -2.91 -0.09 0.00 0.01 0.00 0.00 42.46 39.33 3i02 s ILE 75 CO 0.03 -0.61 1.09 -0.94 0.00 0.00 0.00 174.94 174.51 3i02 s SER 76 N 1.30 6.59 -0.36 3.58 1.04 -0.89 -0.98 113.70 123.97 3i02 s SER 76 Ca 0.09 2.14 -0.27 0.00 0.48 0.00 0.00 55.95 58.39 3i02 s SER 76 Cb -0.21 -2.59 0.04 0.00 0.10 0.00 0.00 66.02 63.36 3i02 s SER 76 CO -0.06 -0.61 0.51 -1.20 0.98 0.00 0.00 173.24 172.86 3i02 n SER 77 N -0.15 -6.18 -4.72 7.02 7.64 -1.17 -4.85 113.62 111.21 3i02 n SER 77 Ca 0.05 0.12 -0.42 0.00 1.01 0.00 0.00 58.87 59.63 3i02 n SER 77 Cb 0.49 -2.39 -0.03 0.00 -1.01 0.00 0.00 64.21 61.27 3i02 n SER 77 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3i02 s VAL 78 N -1.57 2.94 0.24 0.44 1.01 -0.39 -4.65 120.40 118.42 3i02 s VAL 78 Ca 0.28 0.70 0.06 0.00 0.00 0.00 0.00 61.98 63.03 3i02 s VAL 78 Cb -0.04 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 3i02 s VAL 78 CO 0.71 0.07 0.21 -1.10 0.00 0.00 0.00 175.10 174.99 3i02 s GLN 79 N 0.78 3.00 0.42 2.72 -0.21 -1.26 0.24 119.66 125.35 3i02 s GLN 79 Ca 0.65 -0.98 0.12 0.00 0.02 0.00 0.00 55.36 55.17 3i02 s GLN 79 Cb -0.40 -2.62 0.98 0.00 1.00 0.00 0.00 33.01 31.96 3i02 s GLN 79 CO 0.33 0.42 1.98 0.00 -2.12 0.00 0.00 175.29 175.90 3i02 h ALA 80 N 1.59 1.96 0.00 6.09 0.00 -1.88 -0.22 119.26 126.79 3i02 h ALA 80 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3i02 h ALA 80 Cb 1.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3i02 h ALA 80 CO 0.61 -0.09 0.00 -0.85 0.00 0.00 0.00 179.25 178.93 3i02 n GLU 81 N -4.47 0.47 0.04 0.00 0.00 -1.03 -2.67 120.64 112.98 3i02 n GLU 81 Ca 0.10 0.04 0.14 0.00 0.00 0.00 0.00 57.16 57.44 3i02 n GLU 81 Cb 0.34 -1.50 0.53 0.00 0.00 0.00 0.00 31.44 30.82 3i02 n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3i02 n ASP 82 N -1.19 0.33 -4.66 -1.84 8.00 -0.10 -4.81 116.55 112.27 3i02 n ASP 82 Ca 0.13 0.53 -0.60 0.00 0.71 0.00 0.00 54.79 55.57 3i02 n ASP 82 Cb 0.15 -0.62 -0.08 0.00 -0.02 0.00 0.00 41.12 40.56 3i02 n ASP 82 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3i02 n LEU 83 N -1.80 1.96 0.00 0.64 7.94 -1.09 -4.86 117.00 119.79 3i02 n LEU 83 Ca 0.06 1.02 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 3i02 n LEU 83 Cb 0.38 -1.07 0.00 0.00 0.53 0.00 0.00 43.42 43.26 3i02 n LEU 83 CO 0.28 -0.58 0.00 0.00 -1.11 0.00 0.00 177.39 175.99 3i02 n ALA 84 N 5.61 0.00 -2.75 1.96 0.00 -1.17 -4.41 120.51 119.75 3i02 n ALA 84 Ca 0.31 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.40 3i02 n ALA 84 Cb 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.45 3i02 n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i02 s VAL 85 N -2.00 5.41 -0.22 0.00 1.01 -0.33 -0.57 120.40 123.70 3i02 s VAL 85 Ca 0.00 0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.17 3i02 s VAL 85 Cb 0.00 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 3i02 s VAL 85 CO 0.00 0.46 0.02 -0.31 0.00 0.00 0.00 175.10 175.28 3i02 s TYR 86 N 0.14 3.06 -0.07 5.22 2.02 -0.50 -1.37 117.35 125.85 3i02 s TYR 86 Ca 0.10 -0.45 -0.01 0.00 -0.37 0.00 0.00 57.07 56.34 3i02 s TYR 86 Cb -0.11 -2.14 -0.03 0.00 -0.40 0.00 0.00 41.96 39.27 3i02 s TYR 86 CO -0.00 -0.28 0.01 0.71 -1.57 0.00 0.00 175.55 174.42 3i02 s TYR 87 N 1.20 3.18 0.25 2.71 1.51 -0.69 -1.29 117.35 124.21 3i02 s TYR 87 Ca 0.04 0.19 0.05 0.00 -1.01 0.00 0.00 57.07 56.34 3i02 s TYR 87 Cb -0.14 -1.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.90 3i02 s TYR 87 CO 0.02 0.49 0.36 0.00 -1.11 0.00 0.00 175.55 175.31 3i02 s LYS 89 N -3.99 0.50 0.35 0.00 2.20 -0.39 -1.14 119.74 117.27 3i02 s LYS 89 Ca 0.35 1.29 -0.25 0.00 -0.36 0.00 0.00 55.97 57.00 3i02 s LYS 89 Cb -0.09 0.64 -0.10 0.00 -1.51 0.00 0.00 37.83 36.77 3i02 s LYS 89 CO 0.29 -0.21 0.95 1.14 -0.36 0.00 0.00 175.35 177.16 3i02 s GLN 90 N 2.71 4.48 -0.18 4.03 1.03 -0.85 -0.89 119.66 129.99 3i02 s GLN 90 Ca -0.05 1.30 0.23 0.00 0.04 0.00 0.00 55.36 56.89 3i02 s GLN 90 Cb -0.12 -2.66 0.48 0.00 0.03 0.00 0.00 33.01 30.75 3i02 s GLN 90 CO -0.17 0.19 1.13 -1.13 -2.54 0.00 0.00 175.29 172.77 3i02 n SER 91 N 0.28 1.50 -0.00 12.60 3.41 -0.76 -2.58 113.62 128.06 3i02 n SER 91 Ca 0.03 -2.08 -0.09 0.00 -0.26 0.00 0.00 58.87 56.47 3i02 n SER 91 Cb 0.51 -0.42 -0.14 0.00 -0.26 0.00 0.00 64.21 63.90 3i02 n SER 91 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3i02 h TYR 92 N 2.11 0.03 -2.62 7.33 3.20 -1.93 -3.43 116.97 121.67 3i02 h TYR 92 Ca -0.15 -0.02 -0.41 0.00 3.14 0.00 0.00 58.73 61.28 3i02 h TYR 92 Cb 1.46 -0.00 -0.38 0.00 1.54 0.00 0.00 36.73 39.35 3i02 h TYR 92 CO 0.42 1.04 -0.70 1.21 -1.64 0.00 0.00 178.16 178.49 3i02 s ASN 93 N -6.27 2.31 0.69 -2.11 3.04 -1.26 -5.08 114.94 106.25 3i02 s ASN 93 Ca -0.04 -0.75 0.00 0.00 0.04 0.00 0.00 52.86 52.10 3i02 s ASN 93 Cb 0.08 0.06 0.00 0.00 -1.54 0.00 0.00 41.25 39.86 3i02 s ASN 93 CO 0.82 -0.38 0.00 0.18 -3.04 0.00 0.00 177.10 174.68 3i02 n LEU 94 N 5.29 0.00 -3.98 3.21 4.77 -1.26 -4.73 117.00 120.29 3i02 n LEU 94 Ca -0.05 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.83 3i02 n LEU 94 Cb 0.46 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.44 3i02 n LEU 94 CO 0.05 0.00 -0.37 -0.13 -1.33 0.00 0.00 177.39 175.62 3i02 s ARG 95 N 0.00 0.32 -0.16 3.23 3.00 -1.26 -3.95 118.95 120.14 3i02 s ARG 95 Ca 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 55.73 55.05 3i02 s ARG 95 Cb 0.00 0.01 0.05 0.00 0.00 0.00 0.00 34.95 35.01 3i02 s ARG 95 CO 0.00 -0.02 0.40 0.95 0.00 0.00 0.00 175.30 176.63 3i02 s THR 96 N -1.26 -0.02 0.23 0.02 -4.23 -1.07 -5.00 115.64 104.32 3i02 s THR 96 Ca -0.13 0.06 -0.05 0.00 -1.18 0.00 0.00 61.69 60.39 3i02 s THR 96 Cb -0.09 -0.58 -0.05 0.00 1.34 0.00 0.00 72.50 73.12 3i02 s THR 96 CO -0.01 0.02 0.48 -0.36 -0.54 0.00 0.00 174.62 174.22 3i02 s PHE 97 N 0.89 3.47 0.96 3.99 0.08 -1.26 -2.01 117.98 124.11 3i02 s PHE 97 Ca -0.06 0.59 -0.15 0.00 0.12 0.00 0.00 56.93 57.43 3i02 s PHE 97 Cb -0.06 -2.05 0.18 0.00 -0.57 0.00 0.00 43.02 40.52 3i02 s PHE 97 CO -0.07 0.28 1.23 0.20 -0.10 0.00 0.00 175.22 176.76 3i02 s GLY 98 N -2.92 1.68 0.00 4.36 0.00 -0.29 -4.61 107.32 105.54 3i02 s GLY 98 Ca 0.43 -0.94 0.18 0.00 0.00 0.00 0.00 44.72 44.39 3i02 s GLY 98 CO 0.28 -0.24 1.42 0.54 0.00 0.00 0.00 173.10 175.09 3i02 n ARG 99 N -3.83 2.12 0.00 2.90 5.12 -1.26 -4.76 116.66 116.95 3i02 n ARG 99 Ca 0.12 -1.72 0.00 0.00 -1.93 0.00 0.00 57.85 54.31 3i02 n ARG 99 Cb 0.60 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.48 3i02 n ARG 99 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i02 n GLY 100 N 1.30 0.49 3.01 -0.13 0.00 -1.26 -4.98 105.19 103.62 3i02 n GLY 100 Ca 0.17 -1.61 -0.31 0.00 0.00 0.00 0.00 46.02 44.27 3i02 n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i02 s THR 101 N -2.72 1.86 -0.41 2.61 2.01 -0.41 -4.68 115.64 113.89 3i02 s THR 101 Ca 0.00 -1.37 -0.29 0.00 0.31 0.00 0.00 61.69 60.34 3i02 s THR 101 Cb 0.00 -2.01 0.02 0.00 0.01 0.00 0.00 72.50 70.53 3i02 s THR 101 CO 0.00 -0.01 1.12 -0.75 -0.69 0.00 0.00 174.62 174.29 3i02 s LYS 102 N 1.26 3.86 -0.35 4.92 2.20 -0.76 -1.41 119.74 129.46 3i02 s LYS 102 Ca -0.06 0.77 -0.22 0.00 -0.36 0.00 0.00 55.97 56.10 3i02 s LYS 102 Cb -0.19 -3.84 0.01 0.00 -1.51 0.00 0.00 37.83 32.30 3i02 s LYS 102 CO -0.06 -1.19 0.72 -1.17 -0.36 0.00 0.00 175.35 173.29 3i02 s LEU 103 N 4.15 4.17 0.20 5.43 2.96 0.26 -1.48 118.68 134.37 3i02 s LEU 103 Ca 0.47 0.31 0.05 0.00 -0.22 0.00 0.00 54.13 54.74 3i02 s LEU 103 Cb -0.09 -2.93 -0.04 0.00 0.50 0.00 0.00 46.19 43.63 3i02 s LEU 103 CO 0.25 -0.66 0.23 -1.61 -1.32 0.00 0.00 176.35 173.25 3i02 s GLU 104 N 2.92 3.15 -0.30 1.98 2.02 0.87 -3.03 118.70 126.31 3i02 s GLU 104 Ca 0.29 -0.82 -0.02 0.00 0.02 0.00 0.00 54.97 54.43 3i02 s GLU 104 Cb -0.14 -2.76 0.04 0.00 0.10 0.00 0.00 34.13 31.38 3i02 s GLU 104 CO 0.15 0.46 0.00 0.42 0.02 0.00 0.00 175.26 176.32 3i02 s ILE 105 N -1.88 3.09 0.07 -1.63 -1.09 -1.26 -1.53 121.20 116.96 3i02 s ILE 105 Ca 0.33 -1.28 -0.30 0.00 -2.23 0.00 0.00 60.65 57.17 3i02 s ILE 105 Cb -0.10 -2.73 -0.05 0.00 -1.58 0.00 0.00 42.46 38.00 3i02 s ILE 105 CO 0.26 -0.06 1.10 -0.75 -1.23 0.00 0.00 174.94 174.26 3i02 s LYS 106 N 1.29 4.52 0.25 2.79 2.36 -0.78 -4.89 119.74 125.27 3i02 s LYS 106 Ca -0.04 1.64 -0.03 0.00 -2.55 0.00 0.00 55.97 54.99 3i02 s LYS 106 Cb -0.19 -3.37 -0.02 0.00 -1.05 0.00 0.00 37.83 33.20 3i02 s LYS 106 CO -0.01 -0.10 0.29 -0.98 1.55 0.00 0.00 175.35 176.10 3i02 s ARG 107 N 0.68 1.47 0.47 4.03 1.70 -1.26 -4.23 118.95 121.81 3i02 s ARG 107 Ca 0.54 -1.62 -0.23 0.00 -0.47 0.00 0.00 55.73 53.95 3i02 s ARG 107 Cb -0.27 0.35 -0.07 0.00 -0.57 0.00 0.00 34.95 34.39 3i02 s ARG 107 CO 0.30 -0.55 1.20 0.00 -1.08 0.00 0.00 175.30 175.17 3i02 s ALA 108 N -3.85 2.96 0.39 7.88 0.00 -1.26 -4.94 121.76 122.94 3i02 s ALA 108 Ca 0.34 1.00 -0.26 0.00 0.00 0.00 0.00 51.96 53.04 3i02 s ALA 108 Cb 0.03 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.64 3i02 s ALA 108 CO 0.15 -0.76 1.27 -0.25 0.00 0.00 0.00 175.76 176.17 3i02 n ASP 109 N -0.54 2.61 -3.83 0.00 8.00 -1.26 -4.79 116.55 116.74 3i02 n ASP 109 Ca 0.08 1.14 -0.13 0.00 0.71 0.00 0.00 54.79 56.59 3i02 n ASP 109 Cb 0.47 -1.49 -0.15 0.00 -0.02 0.00 0.00 41.12 39.93 3i02 n ASP 109 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i02 s ALA 110 N -1.16 0.01 0.14 2.24 0.00 -0.38 -4.90 121.76 117.71 3i02 s ALA 110 Ca 0.59 0.15 -0.26 0.00 0.00 0.00 0.00 51.96 52.43 3i02 s ALA 110 Cb -0.53 -0.12 -0.07 0.00 0.00 0.00 0.00 23.12 22.40 3i02 s ALA 110 CO 0.60 -0.05 0.81 0.00 0.00 0.00 0.00 175.76 177.12 3i02 s ALA 111 N 0.45 3.39 0.41 0.00 0.00 -1.26 -1.05 121.76 123.70 3i02 s ALA 111 Ca -0.04 0.40 -0.27 0.00 0.00 0.00 0.00 51.96 52.05 3i02 s ALA 111 Cb -0.05 -3.03 -0.09 0.00 0.00 0.00 0.00 23.12 19.94 3i02 s ALA 111 CO -0.01 0.19 1.41 -1.25 0.00 0.00 0.00 175.76 176.10 3i02 s PRO 112 N -0.75 3.93 -0.39 0.00 0.04 -1.26 -4.52 135.00 132.04 3i02 s PRO 112 Ca 0.38 2.40 -0.20 0.00 0.04 0.00 0.00 61.00 63.62 3i02 s PRO 112 Cb -0.23 -2.81 0.01 0.00 0.04 0.00 0.00 34.50 31.52 3i02 s PRO 112 CO 0.26 -0.61 0.62 0.99 0.04 0.00 0.00 177.00 178.30 3i02 s THR 113 N -1.18 4.88 0.06 1.26 2.01 -0.51 -4.86 115.64 117.30 3i02 s THR 113 Ca 0.57 0.34 -0.14 0.00 0.31 0.00 0.00 61.69 62.77 3i02 s THR 113 Cb -0.43 -4.12 -0.06 0.00 0.01 0.00 0.00 72.50 67.90 3i02 s THR 113 CO 0.57 -0.43 0.46 -0.69 -0.69 0.00 0.00 174.62 173.84 3i02 s VAL 114 N 2.72 4.97 -0.12 3.82 1.01 -1.26 -1.58 120.40 129.96 3i02 s VAL 114 Ca 0.23 0.79 -0.09 0.00 0.00 0.00 0.00 61.98 62.91 3i02 s VAL 114 Cb -0.14 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.55 3i02 s VAL 114 CO 0.16 0.43 0.31 -0.44 0.00 0.00 0.00 175.10 175.56 3i02 s SER 115 N -1.39 -0.34 0.04 3.32 0.01 -0.45 -4.97 113.70 109.91 3i02 s SER 115 Ca 0.30 0.64 0.07 0.00 1.31 0.00 0.00 55.95 58.27 3i02 s SER 115 Cb -0.16 0.59 -0.03 0.00 0.21 0.00 0.00 66.02 66.62 3i02 s SER 115 CO 0.16 -0.14 -0.16 -0.51 0.41 0.00 0.00 173.24 173.00 3i02 s ILE 116 N 0.76 2.92 -0.09 1.44 2.07 -1.26 -0.23 121.20 126.80 3i02 s ILE 116 Ca -0.05 -1.13 0.00 0.00 -1.41 0.00 0.00 60.65 58.06 3i02 s ILE 116 Cb -0.06 -2.24 0.02 0.00 0.13 0.00 0.00 42.46 40.32 3i02 s ILE 116 CO -0.05 0.34 -0.08 -0.36 -1.91 0.00 0.00 174.94 172.88 3i02 s PHE 117 N -0.94 1.34 0.62 3.50 0.40 0.18 -4.99 117.98 118.09 3i02 s PHE 117 Ca 0.15 -0.60 -0.16 0.00 -0.60 0.00 0.00 56.93 55.72 3i02 s PHE 117 Cb -0.11 -1.11 -0.02 0.00 0.51 0.00 0.00 43.02 42.30 3i02 s PHE 117 CO 0.06 -0.41 1.11 -2.14 0.70 0.00 0.00 175.22 174.53 3i02 s PRO 118 N 1.41 3.02 0.41 0.24 0.02 -1.26 -1.90 135.00 136.94 3i02 s PRO 118 Ca -0.01 1.43 -0.26 0.00 0.02 0.00 0.00 61.00 62.18 3i02 s PRO 118 Cb -0.13 -1.98 -0.10 0.00 0.02 0.00 0.00 34.50 32.31 3i02 s PRO 118 CO -0.04 -1.08 1.24 -0.35 -0.33 0.00 0.00 177.00 176.43 3i02 n PRO 119 N -2.05 1.86 -2.42 5.54 -0.04 -1.23 -4.86 135.00 131.80 3i02 n PRO 119 Ca 0.10 0.66 -0.37 0.00 -0.04 0.00 0.00 63.50 63.85 3i02 n PRO 119 Cb 0.52 -2.33 -0.03 0.00 -0.04 0.00 0.00 33.50 31.62 3i02 n PRO 119 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3i02 s SER 120 N -0.54 6.65 0.51 3.54 1.04 -1.26 -4.88 113.70 118.75 3i02 s SER 120 Ca 0.61 2.19 0.16 0.00 0.48 0.00 0.00 55.95 59.39 3i02 s SER 120 Cb -0.52 -2.60 1.23 0.00 0.10 0.00 0.00 66.02 64.23 3i02 s SER 120 CO 0.58 -0.58 2.12 0.77 0.98 0.00 0.00 173.24 177.12 3i02 h SER 121 N 2.60 0.06 0.90 7.02 4.64 -1.99 0.88 113.55 127.67 3i02 h SER 121 Ca -0.48 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3i02 h SER 121 Cb 1.23 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3i02 h SER 121 CO 0.62 0.04 0.00 1.05 -0.87 0.00 0.00 176.83 177.68 3i02 h GLU 122 N 0.07 0.00 0.07 4.77 9.09 -2.00 -2.48 114.58 124.09 3i02 h GLU 122 Ca 0.05 0.00 -0.37 0.00 0.05 0.00 0.00 59.36 59.08 3i02 h GLU 122 Cb 0.10 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.16 3i02 h GLU 122 CO -0.01 0.00 -2.18 0.94 0.05 0.00 0.00 179.01 177.81 3i02 n GLN 123 N -2.45 0.71 0.31 1.06 7.27 0.18 -3.62 117.38 120.83 3i02 n GLN 123 Ca 0.02 0.23 0.19 0.00 0.07 0.00 0.00 57.00 57.51 3i02 n GLN 123 Cb 0.27 -1.63 1.04 0.00 2.41 0.00 0.00 30.24 32.33 3i02 n GLN 123 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 3i02 h LEU 124 N -0.02 0.00 0.12 1.69 3.38 -1.11 -1.54 115.31 117.82 3i02 h LEU 124 Ca -0.49 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 3i02 h LEU 124 Cb 1.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.70 3i02 h LEU 124 CO -0.01 0.00 -0.06 0.74 0.09 0.00 0.00 178.44 179.20 3i02 h THR 125 N 0.00 0.89 0.00 0.22 2.02 -1.58 -3.28 112.91 111.19 3i02 h THR 125 Ca 0.01 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 65.91 3i02 h THR 125 Cb 0.18 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 3i02 h THR 125 CO -0.00 0.25 0.00 -1.54 0.37 0.00 0.00 175.52 174.60 3i02 n SER 126 N -4.86 0.00 0.00 4.18 3.41 -0.64 -4.80 113.62 110.91 3i02 n SER 126 Ca -0.07 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 3i02 n SER 126 Cb 0.27 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 3i02 n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i02 n GLY 127 N -0.93 0.89 2.13 5.00 0.00 -0.83 -5.08 105.19 106.36 3i02 n GLY 127 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 3i02 n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i02 n GLY 128 N -1.70 2.94 3.01 -0.02 0.00 -0.96 -1.59 105.19 106.88 3i02 n GLY 128 Ca 0.00 -2.25 0.04 0.00 0.00 0.00 0.00 46.02 43.81 3i02 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i02 s ALA 129 N -2.45 -4.01 -0.23 4.61 0.00 -1.13 -3.53 121.76 115.01 3i02 s ALA 129 Ca 0.16 1.25 -0.09 0.00 0.00 0.00 0.00 51.96 53.28 3i02 s ALA 129 Cb -0.01 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 3i02 s ALA 129 CO 0.10 -2.24 0.12 -1.12 0.00 0.00 0.00 175.76 172.63 3i02 s SER 130 N 2.51 5.82 -0.33 0.00 0.01 -1.26 -0.91 113.70 119.54 3i02 s SER 130 Ca 0.21 0.03 -0.17 0.00 1.31 0.00 0.00 55.95 57.34 3i02 s SER 130 Cb -0.01 -2.04 -0.01 0.00 0.21 0.00 0.00 66.02 64.17 3i02 s SER 130 CO -0.19 0.06 0.44 -0.69 0.41 0.00 0.00 173.24 173.27 3i02 s VAL 131 N 1.07 5.10 -0.10 3.43 1.01 -0.17 -3.57 120.40 127.17 3i02 s VAL 131 Ca 0.06 0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 3i02 s VAL 131 Cb -0.14 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 3i02 s VAL 131 CO 0.04 -0.10 0.03 -0.69 0.00 0.00 0.00 175.10 174.37 3i02 s VAL 132 N 2.21 4.54 -0.06 2.92 1.01 -0.80 -1.21 120.40 129.01 3i02 s VAL 132 Ca 0.16 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.00 3i02 s VAL 132 Cb -0.16 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.30 3i02 s VAL 132 CO 0.12 0.60 -0.12 0.00 0.00 0.00 0.00 175.10 175.70 3i02 s PHE 134 N 0.57 3.06 -0.49 0.00 0.08 0.68 -1.05 117.98 120.82 3i02 s PHE 134 Ca -0.12 -0.34 -0.04 0.00 0.12 0.00 0.00 56.93 56.55 3i02 s PHE 134 Cb -0.14 -2.04 0.13 0.00 -0.57 0.00 0.00 43.02 40.40 3i02 s PHE 134 CO 0.03 -0.12 0.31 -0.51 -0.10 0.00 0.00 175.22 174.82 3i02 s LEU 135 N 0.70 5.35 -0.12 -0.37 1.02 -0.07 -1.34 118.68 123.85 3i02 s LEU 135 Ca -0.00 -2.28 -0.06 0.00 0.02 0.00 0.00 54.13 51.81 3i02 s LEU 135 Cb -0.14 -1.87 -0.04 0.00 0.02 0.00 0.00 46.19 44.16 3i02 s LEU 135 CO 0.02 -0.52 0.11 0.20 0.02 0.00 0.00 176.35 176.19 3i02 s ASN 136 N 1.62 6.14 -1.23 2.29 0.01 -0.62 -0.93 114.94 122.23 3i02 s ASN 136 Ca 0.11 0.39 -0.00 0.00 -0.71 0.00 0.00 52.86 52.65 3i02 s ASN 136 Cb -0.22 -1.95 -0.00 0.00 0.41 0.00 0.00 41.25 39.49 3i02 s ASN 136 CO -0.04 0.40 0.92 0.59 -1.51 0.00 0.00 177.10 177.46 3i02 n ASN 137 N 2.07 -1.83 -4.83 -1.22 3.02 0.12 -1.42 115.26 111.17 3i02 n ASN 137 Ca -0.20 -0.67 -0.22 0.00 -0.03 0.00 0.00 54.58 53.46 3i02 n ASN 137 Cb 0.55 -4.84 -0.04 0.00 -0.61 0.00 0.00 39.78 34.83 3i02 n ASN 137 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3i02 s PHE 138 N -3.44 2.75 -0.24 3.10 -0.71 0.30 -4.58 117.98 115.16 3i02 s PHE 138 Ca 0.00 -0.43 -0.19 0.00 -1.04 0.00 0.00 56.93 55.27 3i02 s PHE 138 Cb -0.00 -1.94 0.06 0.00 -1.21 0.00 0.00 43.02 39.93 3i02 s PHE 138 CO 0.75 0.09 0.62 -0.47 -1.34 0.00 0.00 175.22 174.87 3i02 s TYR 139 N -2.43 -0.76 0.14 3.49 6.14 -0.22 -0.22 117.35 123.49 3i02 s TYR 139 Ca 0.43 1.74 -0.01 0.00 0.64 0.00 0.00 57.07 59.87 3i02 s TYR 139 Cb -0.03 0.32 0.03 0.00 0.42 0.00 0.00 41.96 42.70 3i02 s TYR 139 CO 0.26 -0.37 0.19 -2.30 0.64 0.00 0.00 175.55 173.96 3i02 n PRO 140 N 3.20 0.12 -0.31 4.97 -0.02 -1.26 -1.25 135.00 140.46 3i02 n PRO 140 Ca -0.16 -0.38 -0.04 0.00 -2.02 0.00 0.00 63.50 60.90 3i02 n PRO 140 Cb 0.56 -0.17 0.08 0.00 -0.02 0.00 0.00 33.50 33.95 3i02 n PRO 140 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3i02 h LYS 141 N 0.00 1.12 -6.40 -0.52 3.64 -1.98 -3.43 116.57 108.99 3i02 h LYS 141 Ca -0.06 -0.10 -0.53 0.00 -1.27 0.00 0.00 60.65 58.69 3i02 h LYS 141 Cb 0.19 -0.24 0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3i02 h LYS 141 CO 0.05 0.78 1.08 0.34 -2.27 0.00 0.00 179.45 179.43 3i02 s ASP 142 N -6.05 6.56 0.00 4.20 2.15 -1.26 -5.08 116.67 117.20 3i02 s ASP 142 Ca -0.13 2.51 0.00 0.00 0.43 0.00 0.00 52.55 55.36 3i02 s ASP 142 Cb 0.16 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 3i02 s ASP 142 CO 0.80 -0.94 0.00 0.00 -0.17 0.00 0.00 175.17 174.86 3i02 n ILE 143 N 5.03 0.00 -0.62 4.11 3.06 -1.26 -4.60 119.36 125.08 3i02 n ILE 143 Ca 0.17 0.00 -0.02 0.00 -2.50 0.00 0.00 62.75 60.40 3i02 n ILE 143 Cb 0.41 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.57 3i02 n ILE 143 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3i02 n GLY 157 N -0.32 -0.04 3.47 4.50 0.00 -1.26 -4.99 105.19 106.54 3i02 n GLY 157 Ca 0.00 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3i02 n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i02 s VAL 158 N 0.00 3.85 -0.17 1.61 1.01 -1.26 -1.01 120.40 124.43 3i02 s VAL 158 Ca 0.10 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 3i02 s VAL 158 Cb -0.07 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 3i02 s VAL 158 CO 0.04 0.47 -0.06 -0.76 0.00 0.00 0.00 175.10 174.79 3i02 s LEU 159 N 0.63 2.99 0.15 3.92 1.43 -0.58 -4.95 118.68 122.26 3i02 s LEU 159 Ca -0.02 -0.27 0.09 0.00 -1.03 0.00 0.00 54.13 52.90 3i02 s LEU 159 Cb -0.14 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 3i02 s LEU 159 CO 0.02 0.10 -0.16 0.20 0.23 0.00 0.00 176.35 176.74 3i02 s ASN 160 N 0.74 3.94 -0.27 2.29 0.01 -1.26 -0.75 114.94 119.64 3i02 s ASN 160 Ca -0.03 -0.60 -0.07 0.00 -0.71 0.00 0.00 52.86 51.45 3i02 s ASN 160 Cb -0.15 -0.56 0.14 0.00 0.41 0.00 0.00 41.25 41.09 3i02 s ASN 160 CO 0.02 0.15 0.57 -0.55 -1.51 0.00 0.00 177.10 175.77 3i02 s SER 161 N -2.42 -0.91 0.14 -1.22 0.15 -0.81 -4.98 113.70 103.64 3i02 s SER 161 Ca 0.20 1.17 -0.09 0.00 0.70 0.00 0.00 55.95 57.93 3i02 s SER 161 Cb -0.10 1.98 -0.06 0.00 -1.71 0.00 0.00 66.02 66.13 3i02 s SER 161 CO 0.12 -0.24 0.45 0.26 1.20 0.00 0.00 173.24 175.03 3i02 s TRP 162 N 2.80 3.53 0.68 3.44 0.51 -1.26 -1.42 118.94 127.21 3i02 s TRP 162 Ca 0.03 0.80 -0.04 0.00 -2.12 0.00 0.00 56.10 54.77 3i02 s TRP 162 Cb -0.13 -2.18 0.07 0.00 -0.81 0.00 0.00 33.47 30.42 3i02 s TRP 162 CO -0.18 0.43 0.96 0.95 -0.51 0.00 0.00 176.95 178.60 3i02 s THR 163 N -1.56 2.35 1.09 2.01 -4.23 -0.53 -4.99 115.64 109.78 3i02 s THR 163 Ca 0.39 -0.41 -0.15 0.00 -1.18 0.00 0.00 61.69 60.33 3i02 s THR 163 Cb -0.13 -2.94 0.23 0.00 1.34 0.00 0.00 72.50 71.01 3i02 s THR 163 CO 0.20 0.00 1.10 -1.81 -0.54 0.00 0.00 174.62 173.58 3i02 s ASP 164 N -4.54 1.85 0.52 3.99 1.11 -1.26 -4.65 116.67 113.68 3i02 s ASP 164 Ca 0.61 0.92 -0.23 0.00 0.18 0.00 0.00 52.55 54.03 3i02 s ASP 164 Cb -0.09 -1.39 -0.06 0.00 1.07 0.00 0.00 42.92 42.44 3i02 s ASP 164 CO 0.43 -3.58 1.38 -1.10 1.18 0.00 0.00 175.17 173.48 3i02 s GLN 165 N -5.17 3.30 0.33 8.23 -0.21 -1.26 -4.65 119.66 120.23 3i02 s GLN 165 Ca 0.68 2.30 -0.26 0.00 0.02 0.00 0.00 55.36 58.09 3i02 s GLN 165 Cb -0.15 -2.38 -0.09 0.00 1.00 0.00 0.00 33.01 31.39 3i02 s GLN 165 CO 0.57 -1.08 0.99 0.34 -2.12 0.00 0.00 175.29 173.99 3i02 s ASP 166 N -0.81 7.22 0.20 5.90 2.15 -0.09 -4.89 116.67 126.34 3i02 s ASP 166 Ca 0.68 1.96 0.25 0.00 0.43 0.00 0.00 52.55 55.88 3i02 s ASP 166 Cb -0.42 -2.59 0.89 0.00 -0.30 0.00 0.00 42.92 40.50 3i02 s ASP 166 CO 0.50 -0.16 1.76 -1.20 -0.17 0.00 0.00 175.17 175.90 3i02 n SER 167 N 0.59 0.68 -0.04 -0.34 7.64 -1.26 -0.70 113.62 120.19 3i02 n SER 167 Ca 0.02 0.60 -0.02 0.00 1.01 0.00 0.00 58.87 60.47 3i02 n SER 167 Cb 0.49 -0.77 -0.01 0.00 -1.01 0.00 0.00 64.21 62.91 3i02 n SER 167 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3i02 h LYS 168 N 0.00 0.00 -0.08 1.43 1.63 -1.92 -2.74 116.57 114.89 3i02 h LYS 168 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3i02 h LYS 168 Cb 0.58 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 3i02 h LYS 168 CO 0.00 0.00 0.00 -0.40 -3.45 0.00 0.00 179.45 175.60 3i02 n ASP 169 N -3.73 2.19 -1.20 4.20 3.85 -1.26 -4.80 116.55 115.81 3i02 n ASP 169 Ca -0.04 -1.60 -0.16 0.00 -0.71 0.00 0.00 54.79 52.29 3i02 n ASP 169 Cb 0.14 -0.04 -0.07 0.00 -1.35 0.00 0.00 41.12 39.80 3i02 n ASP 169 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3i02 n SER 170 N 0.67 -4.94 -4.95 -1.12 7.64 0.12 -4.93 113.62 106.11 3i02 n SER 170 Ca 0.08 0.39 -0.24 0.00 1.01 0.00 0.00 58.87 60.11 3i02 n SER 170 Cb 0.33 -3.82 0.05 0.00 -1.01 0.00 0.00 64.21 59.77 3i02 n SER 170 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3i02 s THR 171 N -2.56 2.46 0.16 0.44 -4.23 -1.26 -4.41 115.64 106.24 3i02 s THR 171 Ca 0.00 -0.42 0.07 0.00 -1.18 0.00 0.00 61.69 60.16 3i02 s THR 171 Cb 0.00 -3.01 -0.04 0.00 1.34 0.00 0.00 72.50 70.79 3i02 s THR 171 CO 0.00 -0.01 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.75 3i02 s TYR 172 N -3.05 2.86 0.13 3.99 1.51 0.70 -0.92 117.35 122.57 3i02 s TYR 172 Ca 0.59 -0.12 0.04 0.00 -1.01 0.00 0.00 57.07 56.57 3i02 s TYR 172 Cb -0.11 -1.41 -0.04 0.00 -0.11 0.00 0.00 41.96 40.30 3i02 s TYR 172 CO 0.42 0.50 -0.10 -1.12 -1.11 0.00 0.00 175.55 174.15 3i02 s SER 173 N -2.79 1.65 -0.03 2.29 0.01 -1.26 -0.54 113.70 113.02 3i02 s SER 173 Ca 0.27 -0.98 -0.25 0.00 1.31 0.00 0.00 55.95 56.30 3i02 s SER 173 Cb -0.10 0.01 0.05 0.00 0.21 0.00 0.00 66.02 66.19 3i02 s SER 173 CO 0.18 -0.34 0.54 0.00 0.41 0.00 0.00 173.24 174.03 3i02 s MET 174 N -3.59 0.92 -0.07 12.44 0.23 -0.11 -1.45 119.30 127.66 3i02 s MET 174 Ca 0.14 0.07 0.02 0.00 -1.03 0.00 0.00 55.69 54.89 3i02 s MET 174 Cb 0.02 0.42 -0.02 0.00 -1.53 0.00 0.00 34.83 33.72 3i02 s MET 174 CO -0.00 -0.28 -0.12 -1.54 -2.03 0.00 0.00 175.02 171.05 3i02 s SER 175 N -1.28 4.18 -0.16 -1.18 1.04 -0.51 -0.89 113.70 114.90 3i02 s SER 175 Ca -0.12 -0.18 -0.01 0.00 0.48 0.00 0.00 55.95 56.12 3i02 s SER 175 Cb -0.02 -1.10 -0.01 0.00 0.10 0.00 0.00 66.02 64.99 3i02 s SER 175 CO 0.07 0.31 -0.11 -0.55 0.98 0.00 0.00 173.24 173.94 3i02 s SER 176 N -0.49 4.00 -0.29 7.02 0.15 -0.21 -1.93 113.70 121.95 3i02 s SER 176 Ca 0.07 -0.38 0.01 0.00 0.70 0.00 0.00 55.95 56.35 3i02 s SER 176 Cb -0.12 -1.63 0.06 0.00 -1.71 0.00 0.00 66.02 62.62 3i02 s SER 176 CO 0.02 0.10 -0.05 -0.89 1.20 0.00 0.00 173.24 173.62 3i02 s THR 177 N 0.75 2.56 -0.62 6.45 2.01 0.07 -0.93 115.64 125.92 3i02 s THR 177 Ca -0.05 -1.58 -0.21 0.00 0.31 0.00 0.00 61.69 60.16 3i02 s THR 177 Cb -0.15 -2.52 0.08 0.00 0.01 0.00 0.00 72.50 69.92 3i02 s THR 177 CO 0.01 -0.11 0.84 -0.22 -0.69 0.00 0.00 174.62 174.45 3i02 s LEU 178 N 1.15 4.81 -0.19 4.42 2.96 -0.35 -1.52 118.68 129.97 3i02 s LEU 178 Ca -0.06 -1.13 -0.17 0.00 -0.22 0.00 0.00 54.13 52.55 3i02 s LEU 178 Cb -0.20 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 3i02 s LEU 178 CO -0.03 -1.27 0.47 -0.89 -1.32 0.00 0.00 176.35 173.31 3i02 s THR 179 N 3.42 5.15 0.14 3.68 2.01 -0.18 -0.99 115.64 128.86 3i02 s THR 179 Ca 0.18 0.87 0.00 0.00 0.31 0.00 0.00 61.69 63.05 3i02 s THR 179 Cb -0.20 -3.80 -0.00 0.00 0.01 0.00 0.00 72.50 68.51 3i02 s THR 179 CO 0.09 0.23 0.01 0.18 -0.69 0.00 0.00 174.62 174.44 3i02 n LEU 180 N 4.48 0.00 -4.93 4.42 4.32 -0.09 -4.38 117.00 120.83 3i02 n LEU 180 Ca -0.06 -0.94 -0.19 0.00 -0.02 0.00 0.00 56.01 54.79 3i02 n LEU 180 Cb 0.51 0.16 -0.02 0.00 -1.62 0.00 0.00 43.42 42.45 3i02 n LEU 180 CO 0.41 -0.14 0.05 0.42 -1.22 0.00 0.00 177.39 176.92 3i02 s THR 181 N -1.66 2.84 0.12 -5.08 -4.23 -1.26 -2.86 115.64 103.51 3i02 s THR 181 Ca 0.02 -1.21 -0.19 0.00 -1.18 0.00 0.00 61.69 59.12 3i02 s THR 181 Cb 0.00 -3.02 -0.06 0.00 1.34 0.00 0.00 72.50 70.77 3i02 s THR 181 CO 0.01 -0.01 1.72 0.50 -0.54 0.00 0.00 174.62 176.30 3i02 h LYS 182 N 0.89 0.34 0.29 3.99 3.64 -1.46 -3.25 116.57 121.01 3i02 h LYS 182 Ca -0.41 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.92 3i02 h LYS 182 Cb 1.27 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3i02 h LYS 182 CO 0.53 0.30 -0.17 -0.44 -2.27 0.00 0.00 179.45 177.40 3i02 h ASP 183 N 0.29 -0.43 -0.02 4.20 3.32 -1.95 -3.42 116.42 118.41 3i02 h ASP 183 Ca 0.09 0.02 -0.23 0.00 0.02 0.00 0.00 57.03 56.93 3i02 h ASP 183 Cb 0.06 0.13 0.06 0.00 0.22 0.00 0.00 39.33 39.79 3i02 h ASP 183 CO -0.01 -0.27 0.77 1.21 -1.72 0.00 0.00 179.24 179.22 3i02 n GLU 184 N -3.32 0.02 0.00 3.56 4.07 -1.23 -4.76 120.64 118.99 3i02 n GLU 184 Ca -0.05 -0.86 0.00 0.00 -0.06 0.00 0.00 57.16 56.19 3i02 n GLU 184 Cb 0.18 -2.40 0.00 0.00 -0.06 0.00 0.00 31.44 29.16 3i02 n GLU 184 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3i02 n ARG 187 N 6.66 0.00 -1.37 5.31 1.74 -1.26 -4.91 116.66 122.83 3i02 n ARG 187 Ca 0.29 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 57.08 3i02 n ARG 187 Cb 0.41 0.00 0.14 0.00 -1.02 0.00 0.00 32.46 31.99 3i02 n ARG 187 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3i02 s HIS 188 N 0.00 2.44 -0.98 -1.55 3.76 -1.26 -5.32 115.29 112.38 3i02 s HIS 188 Ca 0.00 1.05 0.08 0.00 -0.15 0.00 0.00 55.06 56.05 3i02 s HIS 188 Cb 0.00 -3.24 0.05 0.00 1.11 0.00 0.00 32.58 30.50 3i02 s HIS 188 CO 0.00 -2.37 0.72 -1.71 -0.85 0.00 0.00 174.74 170.53 3i02 n ASN 189 N -3.82 1.56 0.00 1.40 4.05 -1.26 -5.24 115.26 111.96 3i02 n ASN 189 Ca 0.06 -1.28 0.00 0.00 0.45 0.00 0.00 54.58 53.81 3i02 n ASN 189 Cb 0.57 0.10 0.00 0.00 1.23 0.00 0.00 39.78 41.68 3i02 n ASN 189 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 3i02 n THR 192 N 0.30 0.00 -3.47 -0.44 -1.04 -1.26 -5.27 114.28 103.10 3i02 n THR 192 Ca 0.05 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.63 3i02 n THR 192 Cb 0.20 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.64 3i02 n THR 192 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i02 s GLU 194 N 1.34 3.99 -0.09 0.00 2.02 -1.26 -1.84 118.70 122.86 3i02 s GLU 194 Ca 0.06 0.50 -0.01 0.00 0.02 0.00 0.00 54.97 55.53 3i02 s GLU 194 Cb -0.26 -3.11 0.03 0.00 0.10 0.00 0.00 34.13 30.88 3i02 s GLU 194 CO -0.00 0.60 -0.00 0.00 0.02 0.00 0.00 175.26 175.88 3i02 s ALA 195 N -1.24 0.80 -0.16 5.21 0.00 0.46 -4.94 121.76 121.89 3i02 s ALA 195 Ca 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.01 3i02 s ALA 195 Cb -0.17 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.12 3i02 s ALA 195 CO 0.17 -0.55 -0.10 0.99 0.00 0.00 0.00 175.76 176.27 3i02 s THR 196 N 1.93 3.17 0.06 0.00 2.01 -1.26 0.83 115.64 122.37 3i02 s THR 196 Ca 0.04 -0.60 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 3i02 s THR 196 Cb -0.13 -2.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 3i02 s THR 196 CO -0.06 0.49 -0.03 -2.28 -0.69 0.00 0.00 174.62 172.06 3i02 s HIS 197 N 0.74 0.55 -0.64 4.92 2.46 -1.26 -4.59 115.29 117.47 3i02 s HIS 197 Ca -0.04 -1.08 0.13 0.00 0.47 0.00 0.00 55.06 54.54 3i02 s HIS 197 Cb -0.15 -0.40 0.65 0.00 -0.13 0.00 0.00 32.58 32.55 3i02 s HIS 197 CO 0.02 -0.38 1.41 0.36 -2.47 0.00 0.00 174.74 173.67 3i02 n LYS 198 N 0.09 0.08 -0.01 2.88 2.85 -1.26 -2.92 118.16 119.87 3i02 n LYS 198 Ca -0.13 0.50 -0.17 0.00 -1.05 0.00 0.00 58.31 57.45 3i02 n LYS 198 Cb 0.61 -1.72 -0.08 0.00 -0.65 0.00 0.00 35.03 33.19 3i02 n LYS 198 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 3i02 h THR 199 N 0.00 1.32 -2.74 0.58 1.35 -1.91 -3.48 112.91 108.03 3i02 h THR 199 Ca 0.00 -1.98 -0.53 0.00 -0.55 0.00 0.00 66.41 63.34 3i02 h THR 199 Cb 0.09 2.17 -0.15 0.00 -1.73 0.00 0.00 68.15 68.53 3i02 h THR 199 CO 0.00 0.61 -0.76 -0.94 -0.25 0.00 0.00 175.52 174.18 3i02 s SER 200 N -6.97 3.01 0.26 5.36 1.04 -1.15 -4.99 113.70 110.26 3i02 s SER 200 Ca -0.11 -0.98 -0.01 0.00 0.48 0.00 0.00 55.95 55.33 3i02 s SER 200 Cb 0.07 -0.21 0.55 0.00 0.10 0.00 0.00 66.02 66.54 3i02 s SER 200 CO 0.88 -0.05 1.75 0.71 0.98 0.00 0.00 173.24 177.50 3i02 h THR 201 N 2.63 0.68 -1.26 2.02 1.35 -1.93 -3.44 112.91 112.96 3i02 h THR 201 Ca -0.40 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 3i02 h THR 201 Cb 1.23 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 3i02 h THR 201 CO 0.58 0.10 0.00 -1.20 -0.25 0.00 0.00 175.52 174.76 3i02 n SER 202 N -4.91 -3.79 -4.76 5.36 7.64 -1.26 -4.95 113.62 106.94 3i02 n SER 202 Ca 0.17 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.65 3i02 n SER 202 Cb 0.46 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.63 3i02 n SER 202 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3i02 s PRO 203 N 0.00 4.48 0.07 1.43 0.04 -1.26 -5.08 135.00 134.67 3i02 s PRO 203 Ca 0.00 2.00 -0.31 0.00 0.04 0.00 0.00 61.00 62.74 3i02 s PRO 203 Cb 0.00 -3.11 -0.08 0.00 0.04 0.00 0.00 34.50 31.35 3i02 s PRO 203 CO 0.00 -0.01 1.60 0.42 0.04 0.00 0.00 177.00 179.06 3i02 s ILE 204 N -1.16 3.11 -0.08 0.56 -1.09 0.24 -4.72 121.20 118.06 3i02 s ILE 204 Ca 0.47 0.58 -0.01 0.00 -2.23 0.00 0.00 60.65 59.47 3i02 s ILE 204 Cb -0.36 -3.38 0.03 0.00 -1.58 0.00 0.00 42.46 37.17 3i02 s ILE 204 CO 0.47 0.00 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.46 3i02 s VAL 205 N 2.46 0.59 0.17 2.92 1.01 -1.26 0.17 120.40 126.47 3i02 s VAL 205 Ca 0.72 -0.03 0.10 0.00 0.00 0.00 0.00 61.98 62.78 3i02 s VAL 205 Cb -0.39 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 3i02 s VAL 205 CO 0.31 0.29 -0.19 -0.54 0.00 0.00 0.00 175.10 174.97 3i02 s LYS 206 N 1.77 1.70 0.00 2.72 -0.14 -0.76 -4.98 119.74 120.04 3i02 s LYS 206 Ca 0.03 -1.40 0.00 0.00 -1.36 0.00 0.00 55.97 53.25 3i02 s LYS 206 Cb -0.13 -1.97 0.00 0.00 -1.68 0.00 0.00 37.83 34.05 3i02 s LYS 206 CO -0.05 0.42 0.00 0.45 -0.76 0.00 0.00 175.35 175.41