#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdt s LEU 39 N 0.00 4.08 -0.08 -4.42 2.96 -1.26 -4.96 118.68 115.00 2pdt s LEU 39 Ca 0.00 1.32 0.04 0.00 -0.22 0.00 0.00 54.13 55.26 2pdt s LEU 39 Cb 0.00 -4.06 0.00 0.00 0.50 0.00 0.00 46.19 42.63 2pdt s LEU 39 CO 0.00 -0.19 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.33 2pdt s TYR 40 N -1.95 2.17 -0.24 5.38 2.02 -1.26 -4.99 117.35 118.48 2pdt s TYR 40 Ca 0.53 -0.85 -0.38 0.00 -0.37 0.00 0.00 57.07 56.00 2pdt s TYR 40 Cb -0.11 -1.48 -0.14 0.00 -0.40 0.00 0.00 41.96 39.83 2pdt s TYR 40 CO 0.17 -0.36 1.83 0.00 -1.57 0.00 0.00 175.55 175.63 2pdt n ALA 41 N 3.57 0.24 -2.05 3.71 0.00 -1.26 -4.87 120.51 119.85 2pdt n ALA 41 Ca -0.20 0.31 -0.42 0.00 0.00 0.00 0.00 53.44 53.13 2pdt n ALA 41 Cb 0.53 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.61 2pdt n ALA 41 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2pdt s PRO 42 N 4.00 4.26 0.00 0.00 0.04 -1.26 -1.67 135.00 140.38 2pdt s PRO 42 Ca 0.98 2.22 0.00 0.00 0.04 0.00 0.00 61.00 64.24 2pdt s PRO 42 Cb -0.95 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 30.34 2pdt s PRO 42 CO 0.60 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 177.51 2pdt n GLY 43 N 3.66 0.53 0.18 0.56 0.00 -1.26 -4.98 105.19 103.87 2pdt n GLY 43 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2pdt n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pdt n GLY 44 N -2.00 -2.66 3.59 -0.02 0.00 -0.67 -4.98 105.19 98.45 2pdt n GLY 44 Ca 0.00 -1.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.08 2pdt n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pdt s TYR 45 N -0.97 2.76 -1.47 1.61 1.51 -1.26 -4.85 117.35 114.68 2pdt s TYR 45 Ca 0.00 -0.15 -0.13 0.00 -1.01 0.00 0.00 57.07 55.78 2pdt s TYR 45 Cb 0.00 -1.42 0.03 0.00 -0.11 0.00 0.00 41.96 40.46 2pdt s TYR 45 CO 0.00 0.44 2.31 -3.47 -1.11 0.00 0.00 175.55 173.73 2pdt n ASP 46 N 0.58 4.68 -0.16 2.29 2.03 -1.26 -4.73 116.55 119.99 2pdt n ASP 46 Ca -0.13 -2.82 -0.06 0.00 0.52 0.00 0.00 54.79 52.30 2pdt n ASP 46 Cb 0.53 -1.63 0.03 0.00 -0.72 0.00 0.00 41.12 39.33 2pdt n ASP 46 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2pdt h ILE 47 N 3.83 1.04 -0.64 5.18 1.08 -1.99 -1.01 117.51 124.99 2pdt h ILE 47 Ca 0.60 -0.19 -0.08 0.00 -0.39 0.00 0.00 64.86 64.81 2pdt h ILE 47 Cb 0.58 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 34.75 2pdt h ILE 47 CO 1.86 0.10 0.10 0.24 -0.69 0.00 0.00 178.15 179.75 2pdt h MET 48 N 0.55 1.07 -0.65 2.37 2.86 -2.00 -1.11 114.93 118.02 2pdt h MET 48 Ca 0.19 -0.29 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2pdt h MET 48 Cb 0.03 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 2pdt h MET 48 CO -0.09 0.99 0.43 0.78 1.06 0.00 0.00 176.91 180.08 2pdt h GLY 49 N 0.98 0.92 1.82 8.32 0.00 -1.82 -1.60 103.07 111.69 2pdt h GLY 49 Ca 0.19 -0.35 -0.22 0.00 0.00 0.00 0.00 47.33 46.96 2pdt h GLY 49 CO 0.01 0.34 -1.00 -0.97 0.00 0.00 0.00 176.54 174.93 2pdt h TYR 50 N 0.88 0.24 -0.63 5.60 0.05 -0.73 -1.68 116.97 120.70 2pdt h TYR 50 Ca 0.24 -0.15 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 2pdt h TYR 50 Cb -0.10 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 2pdt h TYR 50 CO 0.00 1.04 0.32 -0.07 -1.05 0.00 0.00 178.16 178.41 2pdt h LEU 51 N 0.06 0.80 -0.11 3.88 3.38 -0.75 0.24 115.31 122.81 2pdt h LEU 51 Ca -0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2pdt h LEU 51 Cb 1.69 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.23 2pdt h LEU 51 CO 0.15 0.68 0.03 0.40 0.09 0.00 0.00 178.44 179.79 2pdt h ILE 52 N 0.86 1.19 -0.96 1.22 2.04 -1.27 0.19 117.51 120.77 2pdt h ILE 52 Ca 0.22 -0.58 0.10 0.00 1.00 0.00 0.00 64.86 65.60 2pdt h ILE 52 Cb 0.08 1.36 -0.08 0.00 -0.74 0.00 0.00 36.82 37.44 2pdt h ILE 52 CO -0.03 0.17 0.60 -0.61 0.00 0.00 0.00 178.15 178.28 2pdt h GLN 53 N -0.01 0.96 0.09 2.37 4.15 -0.84 -0.62 115.11 121.20 2pdt h GLN 53 Ca 0.04 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 2pdt h GLN 53 Cb 0.24 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.71 2pdt h GLN 53 CO -0.00 0.64 -0.04 0.82 -1.93 0.00 0.00 178.83 178.31 2pdt h ILE 54 N 0.99 1.10 0.00 2.39 2.04 -0.15 -2.15 117.51 121.73 2pdt h ILE 54 Ca 0.46 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2pdt h ILE 54 Cb 0.39 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 2pdt h ILE 54 CO -0.24 0.18 0.00 0.24 0.00 0.00 0.00 178.15 178.33 2pdt h MET 55 N -0.46 0.00 -0.15 2.37 2.86 -0.57 -2.15 114.93 116.83 2pdt h MET 55 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2pdt h MET 55 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2pdt h MET 55 CO 0.02 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.08 2pdt n ASN 56 N -2.79 2.97 -4.73 1.22 3.02 -0.28 -5.00 115.26 109.67 2pdt n ASN 56 Ca -0.01 -1.91 -0.42 0.00 -0.03 0.00 0.00 54.58 52.21 2pdt n ASN 56 Cb 0.14 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 2pdt n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pdt s ARG 57 N -1.63 4.19 0.00 3.52 1.70 -0.81 -4.89 118.95 121.03 2pdt s ARG 57 Ca 0.29 2.43 0.31 0.00 -0.47 0.00 0.00 55.73 58.28 2pdt s ARG 57 Cb 0.19 -3.11 1.69 0.00 -0.57 0.00 0.00 34.95 33.15 2pdt s ARG 57 CO 0.27 -0.60 2.12 -0.35 -1.08 0.00 0.00 175.30 175.67 2pdt n PRO 58 N 3.35 0.84 -2.21 3.89 -0.04 -1.26 -3.92 135.00 135.65 2pdt n PRO 58 Ca 0.12 -0.07 -0.28 0.00 -0.04 0.00 0.00 63.50 63.23 2pdt n PRO 58 Cb 0.38 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.36 2pdt n PRO 58 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2pdt n ASN 59 N -1.01 5.23 -4.59 3.54 6.94 -1.26 -5.04 115.26 119.07 2pdt n ASN 59 Ca 0.20 -3.75 -0.41 0.00 -0.02 0.00 0.00 54.58 50.60 2pdt n ASN 59 Cb 0.18 -0.51 -0.03 0.00 -2.36 0.00 0.00 39.78 37.06 2pdt n ASN 59 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2pdt s PRO 60 N -3.63 2.90 -0.00 -0.53 0.04 -1.25 -4.80 135.00 127.73 2pdt s PRO 60 Ca 0.50 1.71 0.18 0.00 0.04 0.00 0.00 61.00 63.43 2pdt s PRO 60 Cb 0.41 -4.39 -0.19 0.00 0.04 0.00 0.00 34.50 30.37 2pdt s PRO 60 CO -0.13 -2.37 0.63 1.04 0.04 0.00 0.00 177.00 176.21 2pdt n GLN 61 N 8.79 0.64 -4.47 4.56 1.13 -1.26 -4.92 117.38 121.84 2pdt n GLN 61 Ca 0.30 0.12 -0.27 0.00 -1.94 0.00 0.00 57.00 55.20 2pdt n GLN 61 Cb 0.48 -1.71 -0.13 0.00 0.11 0.00 0.00 30.24 28.99 2pdt n GLN 61 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2pdt s VAL 62 N -2.92 2.03 -0.63 5.09 1.01 -1.26 -5.08 120.40 118.63 2pdt s VAL 62 Ca -0.05 -1.58 -0.23 0.00 0.00 0.00 0.00 61.98 60.12 2pdt s VAL 62 Cb 0.09 -1.79 0.06 0.00 0.00 0.00 0.00 36.38 34.74 2pdt s VAL 62 CO 0.83 0.11 0.96 -0.70 0.00 0.00 0.00 175.10 176.30 2pdt s GLU 63 N -1.79 3.16 -0.19 2.72 -6.30 -1.26 -4.82 118.70 110.22 2pdt s GLU 63 Ca 0.11 -0.69 0.17 0.00 -2.50 0.00 0.00 54.97 52.06 2pdt s GLU 63 Cb -0.10 -4.18 -0.25 0.00 0.00 0.00 0.00 34.13 29.60 2pdt s GLU 63 CO 0.04 -1.74 0.12 -0.11 0.02 0.00 0.00 175.26 173.59 2pdt n LEU 64 N 7.67 0.15 0.00 2.70 7.94 -1.26 -5.10 117.00 129.10 2pdt n LEU 64 Ca -0.02 0.03 0.01 0.00 -1.11 0.00 0.00 56.01 54.92 2pdt n LEU 64 Cb 0.46 0.43 -0.00 0.00 0.53 0.00 0.00 43.42 44.84 2pdt n LEU 64 CO 0.64 0.50 -0.02 0.61 -1.11 0.00 0.00 177.39 178.01 2pdt n GLY 65 N 1.75 -1.89 3.74 -3.96 0.00 -1.26 -4.79 105.19 98.77 2pdt n GLY 65 Ca -0.32 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 2pdt n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pdt s PRO 66 N -0.36 4.63 0.05 1.61 0.04 -1.26 -4.99 135.00 134.72 2pdt s PRO 66 Ca 0.00 1.69 0.01 0.00 0.04 0.00 0.00 61.00 62.74 2pdt s PRO 66 Cb 0.00 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 2pdt s PRO 66 CO 0.00 0.14 -0.05 0.54 0.04 0.00 0.00 177.00 177.67 2pdt s VAL 67 N -0.42 0.41 0.06 -0.36 0.11 -1.26 -5.17 120.40 113.77 2pdt s VAL 67 Ca 0.48 -1.46 0.00 0.00 -2.93 0.00 0.00 61.98 58.07 2pdt s VAL 67 Cb -0.29 -1.05 -0.00 0.00 -1.53 0.00 0.00 36.38 33.51 2pdt s VAL 67 CO 0.35 -0.70 0.08 -0.90 -3.33 0.00 0.00 175.10 170.60 2pdt n ASP 68 N 0.74 -0.21 0.00 3.54 5.68 -1.26 -4.97 116.55 120.07 2pdt n ASP 68 Ca -0.18 -1.38 0.13 0.00 -0.50 0.00 0.00 54.79 52.87 2pdt n ASP 68 Cb 0.58 0.41 0.78 0.00 -1.14 0.00 0.00 41.12 41.75 2pdt n ASP 68 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2pdt n THR 69 N -0.11 0.03 1.38 2.12 -2.24 -1.26 -3.45 114.28 110.75 2pdt n THR 69 Ca 0.01 0.01 0.14 0.00 -2.27 0.00 0.00 64.05 61.93 2pdt n THR 69 Cb 0.11 -0.58 0.46 0.00 -2.10 0.00 0.00 70.33 68.22 2pdt n THR 69 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2pdt n SER 70 N -1.05 1.26 -4.89 3.42 3.41 -1.26 -4.81 113.62 109.71 2pdt n SER 70 Ca 0.19 -1.20 -0.22 0.00 -0.26 0.00 0.00 58.87 57.38 2pdt n SER 70 Cb 0.11 0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 2pdt n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pdt s ALA 72 N -2.54 3.40 0.12 0.00 0.00 -1.26 -4.58 121.76 116.89 2pdt s ALA 72 Ca 0.46 0.51 -0.15 0.00 0.00 0.00 0.00 51.96 52.79 2pdt s ALA 72 Cb -0.03 -3.79 0.03 0.00 0.00 0.00 0.00 23.12 19.33 2pdt s ALA 72 CO 0.27 -1.72 0.37 -0.48 0.00 0.00 0.00 175.76 174.20 2pdt s LEU 73 N 4.66 0.56 0.05 0.00 0.05 -1.26 -1.55 118.68 121.19 2pdt s LEU 73 Ca 0.68 -0.36 -0.09 0.00 0.05 0.00 0.00 54.13 54.40 2pdt s LEU 73 Cb -0.25 1.71 0.00 0.00 -2.05 0.00 0.00 46.19 45.60 2pdt s LEU 73 CO 0.27 -0.83 0.19 0.27 -0.55 0.00 0.00 176.35 175.69 2pdt s ILE 74 N -3.79 0.12 -0.09 1.48 -4.36 -0.70 -1.07 121.20 112.79 2pdt s ILE 74 Ca 0.03 -0.97 0.04 0.00 -0.26 0.00 0.00 60.65 59.49 2pdt s ILE 74 Cb 0.02 -1.00 0.00 0.00 1.25 0.00 0.00 42.46 42.74 2pdt s ILE 74 CO -0.12 -0.53 -0.22 -0.22 0.24 0.00 0.00 174.94 174.09 2pdt s LEU 75 N -2.24 2.02 0.07 0.37 2.96 0.46 -1.08 118.68 121.24 2pdt s LEU 75 Ca -0.03 -0.51 0.08 0.00 -0.22 0.00 0.00 54.13 53.45 2pdt s LEU 75 Cb 0.00 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.35 2pdt s LEU 75 CO -0.05 0.15 -0.18 0.00 -1.32 0.00 0.00 176.35 174.95 2pdt s ASP 77 N -1.73 6.33 0.54 0.00 -1.08 -0.53 -1.79 116.67 118.41 2pdt s ASP 77 Ca 0.16 -0.26 0.31 0.00 -0.52 0.00 0.00 52.55 52.24 2pdt s ASP 77 Cb -0.10 -2.31 1.49 0.00 -1.46 0.00 0.00 42.92 40.53 2pdt s ASP 77 CO 0.07 -0.73 2.06 -0.07 0.52 0.00 0.00 175.17 177.02 2pdt h LEU 78 N 9.59 0.00 -1.59 -1.34 3.38 -1.32 -2.92 115.31 121.10 2pdt h LEU 78 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2pdt h LEU 78 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2pdt h LEU 78 CO 0.87 0.10 0.00 0.29 0.09 0.00 0.00 178.44 179.79 2pdt n LYS 79 N -3.41 2.05 -4.17 1.13 4.01 -1.25 -4.80 118.16 111.71 2pdt n LYS 79 Ca -0.01 -1.58 -0.29 0.00 -0.51 0.00 0.00 58.31 55.92 2pdt n LYS 79 Cb 0.26 -1.44 -0.08 0.00 -0.51 0.00 0.00 35.03 33.25 2pdt n LYS 79 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2pdt s GLN 80 N -1.69 2.41 0.02 1.97 -0.21 -1.10 -5.06 119.66 116.00 2pdt s GLN 80 Ca 0.34 -0.96 -0.36 0.00 0.02 0.00 0.00 55.36 54.41 2pdt s GLN 80 Cb 0.19 -2.43 -0.15 0.00 1.00 0.00 0.00 33.01 31.62 2pdt s GLN 80 CO 0.28 0.51 1.60 1.17 -2.12 0.00 0.00 175.29 176.73 2pdt n LYS 81 N 0.39 1.70 -2.27 2.91 4.81 -1.26 -2.23 118.16 122.20 2pdt n LYS 81 Ca -0.11 0.62 -0.17 0.00 -0.87 0.00 0.00 58.31 57.78 2pdt n LYS 81 Cb 0.53 -2.35 -0.01 0.00 0.02 0.00 0.00 35.03 33.22 2pdt n LYS 81 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2pdt n ASP 82 N 4.15 -4.96 -3.91 3.14 2.03 -1.26 -4.05 116.55 111.69 2pdt n ASP 82 Ca 0.20 0.01 -0.40 0.00 0.52 0.00 0.00 54.79 55.12 2pdt n ASP 82 Cb 0.23 -4.06 0.03 0.00 -0.72 0.00 0.00 41.12 36.61 2pdt n ASP 82 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2pdt n THR 83 N -3.93 -4.09 -1.91 5.18 -1.04 -0.95 -4.47 114.28 103.07 2pdt n THR 83 Ca -0.20 -0.76 -0.34 0.00 -2.04 0.00 0.00 64.05 60.71 2pdt n THR 83 Cb 0.65 -3.19 0.04 0.00 -1.82 0.00 0.00 70.33 66.01 2pdt n THR 83 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2pdt s PRO 84 N -6.81 2.93 -0.05 -2.82 0.04 -1.26 -4.59 135.00 122.45 2pdt s PRO 84 Ca 0.48 1.52 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 2pdt s PRO 84 Cb -0.23 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 2pdt s PRO 84 CO 0.93 -1.17 1.24 0.42 0.04 0.00 0.00 177.00 178.46 2pdt s ILE 85 N -2.08 4.15 -0.87 0.56 1.01 -0.67 -1.45 121.20 121.84 2pdt s ILE 85 Ca 0.70 1.48 0.08 0.00 0.00 0.00 0.00 60.65 62.92 2pdt s ILE 85 Cb -0.23 -3.95 0.02 0.00 0.01 0.00 0.00 42.46 38.31 2pdt s ILE 85 CO 0.37 -0.00 0.64 1.33 0.00 0.00 0.00 174.94 177.27 2pdt n VAL 86 N 4.64 0.00 -3.64 2.92 0.24 -0.19 -0.59 118.33 121.72 2pdt n VAL 86 Ca 0.11 -0.45 -0.07 0.00 -2.04 0.00 0.00 64.34 61.90 2pdt n VAL 86 Cb 0.46 1.13 -0.07 0.00 -1.47 0.00 0.00 33.84 33.89 2pdt n VAL 86 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2pdt s TYR 87 N -1.02 -0.73 -0.04 6.34 6.14 -1.12 -4.93 117.35 121.99 2pdt s TYR 87 Ca 0.08 1.56 0.01 0.00 0.64 0.00 0.00 57.07 59.36 2pdt s TYR 87 Cb 0.07 0.42 0.02 0.00 0.42 0.00 0.00 41.96 42.89 2pdt s TYR 87 CO 0.17 -0.36 -0.04 0.00 0.64 0.00 0.00 175.55 175.96 2pdt s ALA 88 N 1.02 0.61 0.70 3.97 0.00 -1.26 -0.40 121.76 126.39 2pdt s ALA 88 Ca -0.05 -0.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.75 2pdt s ALA 88 Cb -0.05 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.72 2pdt s ALA 88 CO -0.12 0.01 1.06 -1.54 0.00 0.00 0.00 175.76 175.17 2pdt s SER 89 N 0.76 5.35 0.19 0.00 1.04 -0.23 -4.91 113.70 115.90 2pdt s SER 89 Ca -0.10 1.60 -0.12 0.00 0.48 0.00 0.00 55.95 57.81 2pdt s SER 89 Cb -0.13 -2.47 0.21 0.00 0.10 0.00 0.00 66.02 63.73 2pdt s SER 89 CO 0.00 -1.46 1.73 -0.33 0.98 0.00 0.00 173.24 174.16 2pdt h GLU 90 N -0.73 0.30 -0.11 4.02 5.08 -1.88 -1.47 114.58 119.78 2pdt h GLU 90 Ca -0.44 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 57.93 2pdt h GLU 90 Cb 1.21 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 2pdt h GLU 90 CO 0.57 0.20 0.09 0.00 -1.00 0.00 0.00 179.01 178.87 2pdt h ALA 91 N 1.39 1.92 -0.06 3.43 0.00 -1.86 -0.37 119.26 123.70 2pdt h ALA 91 Ca 0.26 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2pdt h ALA 91 Cb 0.34 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2pdt h ALA 91 CO -0.31 -0.15 -0.08 0.35 0.00 0.00 0.00 179.25 179.06 2pdt h PHE 92 N 0.00 0.21 -0.53 0.00 3.57 -1.53 -0.04 116.94 118.62 2pdt h PHE 92 Ca 0.05 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.51 2pdt h PHE 92 Cb 0.24 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 2pdt h PHE 92 CO 0.00 0.65 0.31 -0.07 -2.23 0.00 0.00 178.31 176.97 2pdt h LEU 93 N -0.29 0.50 -0.61 0.59 3.38 -1.05 -0.82 115.31 117.00 2pdt h LEU 93 Ca 0.01 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2pdt h LEU 93 Cb 0.62 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2pdt h LEU 93 CO 0.02 0.35 0.08 0.22 0.09 0.00 0.00 178.44 179.20 2pdt h TYR 94 N 0.62 1.09 -0.49 1.13 3.20 -1.06 0.67 116.97 122.13 2pdt h TYR 94 Ca 0.22 -0.16 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 2pdt h TYR 94 Cb 0.04 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 2pdt h TYR 94 CO -0.07 0.94 0.04 1.98 -1.64 0.00 0.00 178.16 179.42 2pdt h MET 95 N 0.92 0.84 0.00 1.82 4.05 -0.66 -3.10 114.93 118.80 2pdt h MET 95 Ca 0.18 -0.24 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 2pdt h MET 95 Cb 0.46 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.17 2pdt h MET 95 CO 0.02 0.85 -0.55 0.25 0.23 0.00 0.00 176.91 177.71 2pdt n THR 96 N -4.38 0.25 -0.93 -0.77 -2.24 -0.34 -4.86 114.28 100.99 2pdt n THR 96 Ca 0.01 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2pdt n THR 96 Cb 0.28 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 2pdt n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pdt n GLY 97 N 1.39 0.57 3.97 3.38 0.00 0.23 -0.89 105.19 113.85 2pdt n GLY 97 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 2pdt n GLY 97 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pdt s TYR 98 N -2.53 3.09 0.21 1.61 1.51 -1.07 -4.67 117.35 115.50 2pdt s TYR 98 Ca 0.00 -0.01 0.05 0.00 -1.01 0.00 0.00 57.07 56.10 2pdt s TYR 98 Cb 0.00 -2.29 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 2pdt s TYR 98 CO 0.00 -0.34 0.27 -1.54 -1.11 0.00 0.00 175.55 172.84 2pdt s SER 99 N -4.25 6.05 0.25 2.29 1.04 -1.26 -4.55 113.70 113.27 2pdt s SER 99 Ca 0.49 0.00 -0.04 0.00 0.48 0.00 0.00 55.95 56.88 2pdt s SER 99 Cb -0.10 -1.72 0.49 0.00 0.10 0.00 0.00 66.02 64.79 2pdt s SER 99 CO 0.35 -0.01 1.67 -1.13 0.98 0.00 0.00 173.24 175.10 2pdt h ASN 100 N 1.69 -0.05 -0.11 7.02 -0.00 -1.97 0.40 115.58 122.56 2pdt h ASN 100 Ca -0.50 0.16 -0.01 0.00 -0.00 0.00 0.00 56.30 55.95 2pdt h ASN 100 Cb 1.22 0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 39.76 2pdt h ASN 100 CO 0.63 -0.08 0.04 0.00 -0.00 0.00 0.00 177.43 178.02 2pdt h ALA 101 N 1.65 1.76 0.00 1.57 0.00 -1.94 -1.79 119.26 120.51 2pdt h ALA 101 Ca 0.43 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 55.08 2pdt h ALA 101 Cb 0.77 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2pdt h ALA 101 CO -0.56 0.19 -0.90 0.93 0.00 0.00 0.00 179.25 178.91 2pdt h GLU 102 N 0.23 0.02 0.06 0.00 5.08 -0.62 -3.39 114.58 115.96 2pdt h GLU 102 Ca 0.06 -0.02 -0.36 0.00 -1.00 0.00 0.00 59.36 58.03 2pdt h GLU 102 Cb 0.10 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 2pdt h GLU 102 CO -0.00 0.91 -2.09 1.33 -1.00 0.00 0.00 179.01 178.16 2pdt n VAL 103 N -3.48 1.63 -1.55 3.13 0.24 -0.63 -4.87 118.33 112.80 2pdt n VAL 103 Ca -0.01 -0.51 -0.47 0.00 -2.04 0.00 0.00 64.34 61.32 2pdt n VAL 103 Cb 0.85 -1.71 -0.03 0.00 -1.47 0.00 0.00 33.84 31.49 2pdt n VAL 103 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2pdt n LEU 104 N -3.65 1.20 0.00 1.34 4.32 -0.71 -1.91 117.00 117.58 2pdt n LEU 104 Ca -0.39 1.16 0.00 0.00 -0.02 0.00 0.00 56.01 56.76 2pdt n LEU 104 Cb 0.96 -1.20 0.00 0.00 -1.62 0.00 0.00 43.42 41.55 2pdt n LEU 104 CO 0.30 -1.62 0.00 0.61 -1.22 0.00 0.00 177.39 175.46 2pdt n GLY 105 N 1.62 2.55 3.92 -0.72 0.00 0.24 -4.92 105.19 107.88 2pdt n GLY 105 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 2pdt n GLY 105 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pdt s ARG 106 N -0.29 3.52 0.26 1.61 0.52 -0.80 -4.56 118.95 119.21 2pdt s ARG 106 Ca 0.00 -0.34 -0.30 0.00 -0.52 0.00 0.00 55.73 54.58 2pdt s ARG 106 Cb 0.00 -2.86 -0.09 0.00 0.52 0.00 0.00 34.95 32.51 2pdt s ARG 106 CO 0.00 0.43 1.01 1.21 0.02 0.00 0.00 175.30 177.97 2pdt s ASN 107 N -3.04 7.46 0.00 0.23 3.84 -1.26 -1.68 114.94 120.49 2pdt s ASN 107 Ca 0.38 2.08 0.04 0.00 0.21 0.00 0.00 52.86 55.57 2pdt s ASN 107 Cb -0.11 -2.62 0.17 0.00 -0.55 0.00 0.00 41.25 38.15 2pdt s ASN 107 CO 0.28 0.01 1.08 0.00 -2.79 0.00 0.00 177.10 175.69 2pdt h ARG 109 N 0.00 0.00 -0.02 0.00 0.11 -1.94 -1.99 114.38 110.53 2pdt h ARG 109 Ca 0.00 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.09 2pdt h ARG 109 Cb 0.06 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.14 2pdt h ARG 109 CO 0.00 0.00 0.06 0.27 0.10 0.00 0.00 179.97 180.40 2pdt h PHE 110 N 0.00 0.00 0.00 4.08 -5.15 -1.84 0.21 116.94 114.24 2pdt h PHE 110 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2pdt h PHE 110 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.44 2pdt h PHE 110 CO 0.00 0.00 0.00 -0.07 -2.00 0.00 0.00 178.31 176.24 2pdt h LEU 111 N 0.00 0.00 -0.03 2.10 3.38 -1.67 -3.07 115.31 116.02 2pdt h LEU 111 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2pdt h LEU 111 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2pdt h LEU 111 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 2pdt n GLN 112 N -2.44 0.03 -5.20 1.13 6.02 0.06 -0.11 117.38 116.87 2pdt n GLN 112 Ca 0.01 0.12 -0.30 0.00 -0.01 0.00 0.00 57.00 56.83 2pdt n GLN 112 Cb 0.23 -1.54 -0.16 0.00 1.02 0.00 0.00 30.24 29.79 2pdt n GLN 112 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2pdt s SER 113 N -3.16 2.88 0.00 1.08 0.15 -1.16 -4.63 113.70 108.85 2pdt s SER 113 Ca 0.11 -0.47 0.03 0.00 0.70 0.00 0.00 55.95 56.32 2pdt s SER 113 Cb 0.15 -0.60 0.16 0.00 -1.71 0.00 0.00 66.02 64.01 2pdt s SER 113 CO 0.43 0.26 0.89 -0.81 1.20 0.00 0.00 173.24 175.21 2pdt n PRO 114 N 2.78 0.05 -0.03 5.44 -0.04 -1.26 -1.27 135.00 140.67 2pdt n PRO 114 Ca -0.17 0.23 0.01 0.00 -0.04 0.00 0.00 63.50 63.54 2pdt n PRO 114 Cb 0.52 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.50 2pdt n PRO 114 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2pdt n ASP 115 N -1.25 1.70 -1.52 3.54 3.85 -1.26 -4.41 116.55 117.19 2pdt n ASP 115 Ca 0.02 -2.02 -0.17 0.00 -0.71 0.00 0.00 54.79 51.91 2pdt n ASP 115 Cb 0.02 -0.07 -0.05 0.00 -1.35 0.00 0.00 41.12 39.67 2pdt n ASP 115 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2pdt n GLY 116 N -0.55 0.93 2.89 6.12 0.00 -0.39 -4.97 105.19 109.21 2pdt n GLY 116 Ca 0.02 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2pdt n GLY 116 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pdt s MET 117 N -3.95 1.18 -0.18 1.61 -1.94 -1.26 -4.84 119.30 109.92 2pdt s MET 117 Ca 0.00 -1.59 -0.05 0.00 -1.71 0.00 0.00 55.69 52.34 2pdt s MET 117 Cb 0.00 -2.69 0.07 0.00 2.01 0.00 0.00 34.83 34.22 2pdt s MET 117 CO 0.00 -0.97 0.12 0.54 -0.01 0.00 0.00 175.02 174.70 2pdt s VAL 118 N 1.12 -0.14 0.40 -6.03 0.11 -1.26 -4.84 120.40 109.76 2pdt s VAL 118 Ca 0.11 -0.17 -0.23 0.00 -2.93 0.00 0.00 61.98 58.76 2pdt s VAL 118 Cb -0.19 -0.61 -0.10 0.00 -1.53 0.00 0.00 36.38 33.95 2pdt s VAL 118 CO -0.14 -0.28 0.99 -1.59 -3.33 0.00 0.00 175.10 170.75 2pdt s LYS 119 N 2.18 4.23 0.76 1.54 0.00 -1.26 -4.75 119.74 122.44 2pdt s LYS 119 Ca 0.03 1.33 -0.14 0.00 0.00 0.00 0.00 55.97 57.20 2pdt s LYS 119 Cb -0.16 -2.43 0.06 0.00 0.00 0.00 0.00 37.83 35.30 2pdt s LYS 119 CO -0.11 -0.05 1.17 -2.14 0.00 0.00 0.00 175.35 174.22 2pdt s PRO 120 N -2.70 2.02 0.00 1.78 0.02 -1.26 -2.79 135.00 132.06 2pdt s PRO 120 Ca 0.59 1.62 0.00 0.00 0.02 0.00 0.00 61.00 63.23 2pdt s PRO 120 Cb -0.17 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.52 2pdt s PRO 120 CO 0.21 -1.90 0.00 1.63 -0.33 0.00 0.00 177.00 176.61 2pdt n LYS 121 N -3.04 -0.10 -2.81 5.54 4.76 -1.26 -4.95 118.16 116.31 2pdt n LYS 121 Ca 0.12 0.02 -0.31 0.00 -2.87 0.00 0.00 58.31 55.28 2pdt n LYS 121 Cb 0.51 -4.04 -0.04 0.00 -1.84 0.00 0.00 35.03 29.62 2pdt n LYS 121 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2pdt s SER 122 N -2.23 6.60 -0.21 4.39 0.15 -1.12 -5.03 113.70 116.25 2pdt s SER 122 Ca 0.00 1.26 -0.24 0.00 0.70 0.00 0.00 55.95 57.67 2pdt s SER 122 Cb 0.00 -2.38 -0.01 0.00 -1.71 0.00 0.00 66.02 61.92 2pdt s SER 122 CO 0.00 -0.40 0.80 -0.89 1.20 0.00 0.00 173.24 173.94 2pdt s THR 123 N -2.35 4.88 0.40 6.45 2.01 -1.26 -5.02 115.64 120.75 2pdt s THR 123 Ca 0.54 1.53 -0.24 0.00 0.31 0.00 0.00 61.69 63.83 2pdt s THR 123 Cb -0.10 -4.10 -0.09 0.00 0.01 0.00 0.00 72.50 68.22 2pdt s THR 123 CO 0.28 -0.01 1.07 -0.13 -0.69 0.00 0.00 174.62 175.15 2pdt s ARG 124 N 2.43 4.12 0.16 4.92 3.00 -1.26 -4.97 118.95 127.34 2pdt s ARG 124 Ca 0.35 1.56 0.22 0.00 0.00 0.00 0.00 55.73 57.86 2pdt s ARG 124 Cb -0.16 -2.54 -0.05 0.00 0.00 0.00 0.00 34.95 32.20 2pdt s ARG 124 CO 0.10 -0.19 0.96 0.36 0.00 0.00 0.00 175.30 176.53 2pdt n LYS 125 N -0.10 0.61 0.00 3.54 0.00 -1.26 -4.40 118.16 116.55 2pdt n LYS 125 Ca 0.05 0.11 0.03 0.00 -0.00 0.00 0.00 58.31 58.50 2pdt n LYS 125 Cb 0.49 -1.80 0.02 0.00 -0.00 0.00 0.00 35.03 33.74 2pdt n LYS 125 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2pdt n TYR 126 N -2.68 0.00 -4.51 5.58 4.01 -1.26 -4.98 117.16 113.32 2pdt n TYR 126 Ca -0.02 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.49 2pdt n TYR 126 Cb 0.60 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.47 2pdt n TYR 126 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2pdt s VAL 127 N -0.60 0.98 0.47 -0.72 1.01 -1.26 -4.59 120.40 115.70 2pdt s VAL 127 Ca 0.07 -0.44 -0.23 0.00 0.00 0.00 0.00 61.98 61.38 2pdt s VAL 127 Cb 0.05 -0.88 -0.07 0.00 0.00 0.00 0.00 36.38 35.48 2pdt s VAL 127 CO 0.09 0.31 1.20 1.51 0.00 0.00 0.00 175.10 178.20 2pdt s ASP 128 N 0.36 6.01 0.24 3.32 1.47 -1.26 -4.51 116.67 122.30 2pdt s ASP 128 Ca -0.07 2.39 -0.06 0.00 1.18 0.00 0.00 52.55 55.99 2pdt s ASP 128 Cb -0.12 -2.61 0.34 0.00 -0.34 0.00 0.00 42.92 40.19 2pdt s ASP 128 CO 0.02 -1.03 1.83 0.28 0.68 0.00 0.00 175.17 176.94 2pdt h SER 129 N 1.94 0.73 -0.30 2.11 0.02 -2.00 -2.73 113.55 113.32 2pdt h SER 129 Ca -0.50 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 60.54 2pdt h SER 129 Cb 1.26 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.63 2pdt h SER 129 CO 0.60 0.45 0.01 -1.13 -1.14 0.00 0.00 176.83 175.61 2pdt h ASN 130 N 0.86 -0.11 -0.72 3.07 -1.24 -1.99 0.18 115.58 115.63 2pdt h ASN 130 Ca 0.37 0.07 0.02 0.00 0.71 0.00 0.00 56.30 57.47 2pdt h ASN 130 Cb 0.24 0.12 -0.04 0.00 0.73 0.00 0.00 38.32 39.36 2pdt h ASN 130 CO -0.20 -0.02 0.47 0.74 -1.29 0.00 0.00 177.43 177.13 2pdt h THR 131 N 0.10 1.13 -0.25 -3.57 2.02 -1.88 0.30 112.91 110.75 2pdt h THR 131 Ca 0.14 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 2pdt h THR 131 Cb 0.19 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 2pdt h THR 131 CO -0.24 0.17 0.13 0.40 0.37 0.00 0.00 175.52 176.35 2pdt h ILE 132 N 0.93 1.13 -0.69 3.11 1.08 -1.13 -1.56 117.51 120.37 2pdt h ILE 132 Ca 0.28 -0.34 -0.04 0.00 -0.39 0.00 0.00 64.86 64.37 2pdt h ILE 132 Cb -0.03 0.89 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 2pdt h ILE 132 CO -0.09 0.12 0.29 0.78 -0.69 0.00 0.00 178.15 178.57 2pdt h ASN 133 N 0.29 0.93 -0.93 1.72 4.21 -0.17 -1.46 115.58 120.16 2pdt h ASN 133 Ca 0.09 -0.16 -0.01 0.00 1.21 0.00 0.00 56.30 57.43 2pdt h ASN 133 Cb 0.08 -0.24 -0.04 0.00 -1.12 0.00 0.00 38.32 36.99 2pdt h ASN 133 CO -0.01 0.84 0.56 0.74 -1.29 0.00 0.00 177.43 178.26 2pdt h THR 134 N 0.97 1.26 0.15 2.81 2.02 -0.17 -0.27 112.91 119.67 2pdt h THR 134 Ca 0.23 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 2pdt h THR 134 Cb 0.18 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 2pdt h THR 134 CO -0.02 0.27 -0.07 0.24 0.37 0.00 0.00 175.52 176.31 2pdt h MET 135 N 1.29 -0.19 -0.48 6.66 2.86 -0.99 -1.40 114.93 122.68 2pdt h MET 135 Ca 0.33 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 58.06 2pdt h MET 135 Cb -0.05 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.59 2pdt h MET 135 CO -0.06 0.11 0.13 -0.09 1.06 0.00 0.00 176.91 178.06 2pdt h ARG 136 N -0.49 0.27 -0.42 1.72 2.43 -1.05 -1.25 114.38 115.58 2pdt h ARG 136 Ca -0.02 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 2pdt h ARG 136 Cb 0.39 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2pdt h ARG 136 CO 0.03 0.18 -0.10 0.87 -1.51 0.00 0.00 179.97 179.44 2pdt h LYS 137 N 0.28 0.81 -0.31 0.20 1.57 -1.06 -1.78 116.57 116.28 2pdt h LYS 137 Ca 0.23 -0.31 0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2pdt h LYS 137 Cb 0.28 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 2pdt h LYS 137 CO -0.27 0.94 0.04 0.00 -0.57 0.00 0.00 179.45 179.58 2pdt h ALA 138 N 0.85 0.31 -0.69 3.86 0.00 -0.81 -1.02 119.26 121.77 2pdt h ALA 138 Ca 0.11 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2pdt h ALA 138 Cb 0.64 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2pdt h ALA 138 CO 0.04 -0.37 0.21 0.82 0.00 0.00 0.00 179.25 179.95 2pdt h ILE 139 N 0.14 1.25 -0.00 0.00 2.04 -1.09 0.58 117.51 120.43 2pdt h ILE 139 Ca 0.15 -0.89 -0.09 0.00 1.00 0.00 0.00 64.86 65.03 2pdt h ILE 139 Cb 0.18 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2pdt h ILE 139 CO -0.22 0.35 -0.45 0.44 0.00 0.00 0.00 178.15 178.27 2pdt h ASP 140 N 1.03 0.01 0.65 1.72 5.19 -0.90 -2.85 116.42 121.26 2pdt h ASP 140 Ca 0.22 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 2pdt h ASP 140 Cb 0.31 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.81 2pdt h ASP 140 CO -0.01 0.45 -0.35 0.54 -3.12 0.00 0.00 179.24 176.76 2pdt n ARG 141 N -4.01 0.01 -3.41 3.56 1.74 -0.42 -4.93 116.66 109.19 2pdt n ARG 141 Ca -0.02 -0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.87 2pdt n ARG 141 Cb 0.47 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.48 2pdt n ARG 141 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2pdt n ASN 142 N -1.49 -4.97 -4.58 0.55 3.02 -0.42 -5.00 115.26 102.37 2pdt n ASN 142 Ca 0.06 -0.49 -0.33 0.00 -0.03 0.00 0.00 54.58 53.79 2pdt n ASN 142 Cb 0.34 -4.48 -0.11 0.00 -0.61 0.00 0.00 39.78 34.92 2pdt n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pdt s ALA 143 N -3.29 2.97 0.43 5.41 0.00 0.06 -4.79 121.76 122.56 2pdt s ALA 143 Ca 0.40 -0.92 -0.24 0.00 0.00 0.00 0.00 51.96 51.19 2pdt s ALA 143 Cb -0.17 -1.20 -0.08 0.00 0.00 0.00 0.00 23.12 21.67 2pdt s ALA 143 CO 0.64 0.58 1.18 -1.21 0.00 0.00 0.00 175.76 176.95 2pdt s GLU 144 N -0.93 3.90 0.01 0.00 2.02 -1.26 -4.38 118.70 118.07 2pdt s GLU 144 Ca 0.13 1.85 -0.16 0.00 0.02 0.00 0.00 54.97 56.81 2pdt s GLU 144 Cb -0.11 -2.56 0.03 0.00 0.10 0.00 0.00 34.13 31.58 2pdt s GLU 144 CO 0.03 -0.45 0.35 0.54 0.02 0.00 0.00 175.26 175.75 2pdt s VAL 145 N -1.45 0.06 -0.06 2.63 0.11 -0.86 -4.95 120.40 115.87 2pdt s VAL 145 Ca 0.60 -0.49 -0.03 0.00 -2.93 0.00 0.00 61.98 59.13 2pdt s VAL 145 Cb -0.31 -0.79 0.04 0.00 -1.53 0.00 0.00 36.38 33.79 2pdt s VAL 145 CO 0.38 -0.27 0.13 -1.58 -3.33 0.00 0.00 175.10 170.43 2pdt s GLN 146 N -1.86 0.06 0.27 1.54 0.74 -1.26 -1.00 119.66 118.14 2pdt s GLN 146 Ca -0.10 0.40 -0.02 0.00 0.05 0.00 0.00 55.36 55.69 2pdt s GLN 146 Cb -0.03 -0.22 -0.02 0.00 1.10 0.00 0.00 33.01 33.84 2pdt s GLN 146 CO 0.01 -0.20 0.31 0.14 -0.55 0.00 0.00 175.29 175.00 2pdt s VAL 147 N 1.46 0.00 -0.10 1.34 -7.23 -0.38 -5.02 120.40 110.47 2pdt s VAL 147 Ca -0.06 -1.78 0.03 0.00 -1.81 0.00 0.00 61.98 58.37 2pdt s VAL 147 Cb -0.12 -2.47 -0.00 0.00 0.56 0.00 0.00 36.38 34.35 2pdt s VAL 147 CO -0.05 0.00 -0.22 -1.61 -0.31 0.00 0.00 175.10 172.91 2pdt s GLU 148 N -3.74 3.04 0.01 4.82 2.02 -1.26 -1.08 118.70 122.52 2pdt s GLU 148 Ca 0.34 -0.84 -0.02 0.00 0.02 0.00 0.00 54.97 54.46 2pdt s GLU 148 Cb 0.03 -2.35 -0.01 0.00 0.10 0.00 0.00 34.13 31.89 2pdt s GLU 148 CO 0.16 0.22 0.03 0.54 0.02 0.00 0.00 175.26 176.23 2pdt s VAL 149 N 0.25 0.10 -0.19 2.63 0.11 -0.41 -4.96 120.40 117.93 2pdt s VAL 149 Ca -0.15 -0.80 -0.27 0.00 -2.93 0.00 0.00 61.98 57.83 2pdt s VAL 149 Cb -0.17 -0.31 -0.00 0.00 -1.53 0.00 0.00 36.38 34.37 2pdt s VAL 149 CO 0.07 -0.44 0.94 -0.69 -3.33 0.00 0.00 175.10 171.66 2pdt s VAL 150 N -1.37 4.78 0.34 2.04 1.01 -1.26 -0.75 120.40 125.19 2pdt s VAL 150 Ca -0.15 1.84 0.07 0.00 0.00 0.00 0.00 61.98 63.74 2pdt s VAL 150 Cb -0.09 -4.23 -0.07 0.00 0.00 0.00 0.00 36.38 32.00 2pdt s VAL 150 CO -0.00 -0.07 -0.03 0.20 0.00 0.00 0.00 175.10 175.20 2pdt s ASN 151 N 1.20 3.25 -0.07 3.32 0.02 -0.54 -4.61 114.94 117.51 2pdt s ASN 151 Ca 0.42 -1.28 0.01 0.00 -1.02 0.00 0.00 52.86 50.99 2pdt s ASN 151 Cb -0.16 -0.26 0.02 0.00 0.02 0.00 0.00 41.25 40.87 2pdt s ASN 151 CO 0.10 -0.39 -0.08 -0.36 0.02 0.00 0.00 177.10 176.40 2pdt s PHE 152 N -2.88 1.17 1.14 2.20 0.08 0.85 -0.97 117.98 119.58 2pdt s PHE 152 Ca 0.33 -0.45 -0.14 0.00 0.12 0.00 0.00 56.93 56.79 2pdt s PHE 152 Cb 0.06 -0.96 0.27 0.00 -0.57 0.00 0.00 43.02 41.82 2pdt s PHE 152 CO 0.15 -0.31 1.04 0.15 -0.10 0.00 0.00 175.22 176.15 2pdt s LYS 153 N 1.13 -0.75 0.39 0.44 1.02 -0.58 -4.83 119.74 116.56 2pdt s LYS 153 Ca -0.07 0.59 0.10 0.00 0.02 0.00 0.00 55.97 56.61 2pdt s LYS 153 Cb -0.14 -1.59 0.81 0.00 -0.52 0.00 0.00 37.83 36.38 2pdt s LYS 153 CO -0.01 -3.54 1.94 -0.22 -0.92 0.00 0.00 175.35 172.59 2pdt h LYS 154 N -2.48 0.26 0.00 1.68 3.64 -1.28 -1.28 116.57 117.10 2pdt h LYS 154 Ca -0.58 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.75 2pdt h LYS 154 Cb 1.34 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2pdt h LYS 154 CO 0.51 0.36 0.00 0.27 -2.27 0.00 0.00 179.45 178.32 2pdt n ASN 155 N -4.31 0.00 0.00 4.20 2.04 -1.26 -4.85 115.26 111.08 2pdt n ASN 155 Ca -0.00 0.49 0.00 0.00 -0.44 0.00 0.00 54.58 54.62 2pdt n ASN 155 Cb 0.24 -0.49 0.00 0.00 -2.53 0.00 0.00 39.78 37.00 2pdt n ASN 155 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2pdt n GLY 156 N -0.02 0.23 3.68 4.83 0.00 -0.48 -5.05 105.19 108.37 2pdt n GLY 156 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2pdt n GLY 156 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pdt s GLN 157 N -0.92 4.20 0.18 1.61 0.74 -1.26 -4.68 119.66 119.53 2pdt s GLN 157 Ca 0.00 2.22 -0.30 0.00 0.05 0.00 0.00 55.36 57.33 2pdt s GLN 157 Cb 0.00 -3.77 -0.08 0.00 1.10 0.00 0.00 33.01 30.26 2pdt s GLN 157 CO 0.00 -0.76 1.24 0.50 -0.55 0.00 0.00 175.29 175.72 2pdt s ARG 158 N 3.22 4.44 0.02 1.67 3.52 -1.26 -1.53 118.95 129.03 2pdt s ARG 158 Ca 0.72 1.94 -0.03 0.00 -0.13 0.00 0.00 55.73 58.23 2pdt s ARG 158 Cb -0.36 -3.23 -0.01 0.00 -1.56 0.00 0.00 34.95 29.78 2pdt s ARG 158 CO 0.30 -0.17 0.04 -0.59 -0.81 0.00 0.00 175.30 174.07 2pdt s PHE 159 N 0.14 0.20 -0.16 5.12 -0.71 -0.14 -4.96 117.98 117.47 2pdt s PHE 159 Ca 0.55 -0.45 -0.18 0.00 -1.04 0.00 0.00 56.93 55.81 2pdt s PHE 159 Cb -0.34 -0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.28 2pdt s PHE 159 CO 0.36 -0.26 0.49 0.08 -1.34 0.00 0.00 175.22 174.55 2pdt s VAL 160 N -1.83 5.15 -0.24 -2.49 1.01 -1.26 -1.46 120.40 119.28 2pdt s VAL 160 Ca -0.12 0.93 -0.04 0.00 0.00 0.00 0.00 61.98 62.75 2pdt s VAL 160 Cb -0.06 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2pdt s VAL 160 CO -0.02 0.25 -0.02 0.21 0.00 0.00 0.00 175.10 175.53 2pdt s ASN 161 N 0.90 4.48 -0.74 3.32 3.84 0.07 -4.28 114.94 122.54 2pdt s ASN 161 Ca 0.24 -0.54 -0.20 0.00 0.21 0.00 0.00 52.86 52.57 2pdt s ASN 161 Cb -0.15 -1.75 0.11 0.00 -0.55 0.00 0.00 41.25 38.90 2pdt s ASN 161 CO 0.10 -0.07 0.93 0.12 -2.79 0.00 0.00 177.10 175.38 2pdt s PHE 162 N 1.46 2.98 -0.19 0.43 2.19 -0.34 -1.28 117.98 123.22 2pdt s PHE 162 Ca 0.04 -1.03 -0.10 0.00 0.33 0.00 0.00 56.93 56.18 2pdt s PHE 162 Cb -0.15 -4.18 -0.05 0.00 -1.31 0.00 0.00 43.02 37.33 2pdt s PHE 162 CO -0.02 -1.46 0.14 -1.17 1.83 0.00 0.00 175.22 174.54 2pdt s LEU 163 N 2.99 4.23 -0.07 6.12 2.96 -0.24 -3.03 118.68 131.63 2pdt s LEU 163 Ca 0.22 0.28 0.04 0.00 -0.22 0.00 0.00 54.13 54.45 2pdt s LEU 163 Cb -0.15 -2.11 0.00 0.00 0.50 0.00 0.00 46.19 44.44 2pdt s LEU 163 CO 0.02 0.20 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.17 2pdt s THR 164 N 0.21 1.59 -0.07 3.68 2.01 -0.72 -1.24 115.64 121.09 2pdt s THR 164 Ca 0.09 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.34 2pdt s THR 164 Cb -0.11 -1.38 0.01 0.00 0.01 0.00 0.00 72.50 71.03 2pdt s THR 164 CO -0.01 0.45 -0.13 -0.04 -0.69 0.00 0.00 174.62 174.21 2pdt s MET 165 N 0.27 1.78 -0.06 4.92 1.00 -0.17 -0.32 119.30 126.72 2pdt s MET 165 Ca -0.11 -0.43 0.02 0.00 0.00 0.00 0.00 55.69 55.17 2pdt s MET 165 Cb -0.15 -1.48 0.02 0.00 0.00 0.00 0.00 34.83 33.22 2pdt s MET 165 CO 0.05 0.01 -0.09 0.42 0.00 0.00 0.00 175.02 175.40 2pdt s ILE 166 N 0.74 0.93 0.58 2.53 1.01 -0.28 -2.02 121.20 124.68 2pdt s ILE 166 Ca -0.13 -0.34 -0.18 0.00 0.00 0.00 0.00 60.65 59.99 2pdt s ILE 166 Cb -0.16 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 2pdt s ILE 166 CO 0.03 0.31 1.13 -2.16 0.00 0.00 0.00 174.94 174.25 2pdt s PRO 167 N 0.84 3.19 0.00 2.79 0.04 -1.26 -0.94 135.00 139.66 2pdt s PRO 167 Ca -0.12 1.58 0.04 0.00 0.04 0.00 0.00 61.00 62.54 2pdt s PRO 167 Cb -0.15 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 2pdt s PRO 167 CO 0.02 -0.97 -0.14 0.08 0.04 0.00 0.00 177.00 176.02 2pdt s VAL 168 N -1.89 1.10 -0.12 -0.36 1.01 0.83 -4.85 120.40 116.12 2pdt s VAL 168 Ca 0.72 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 2pdt s VAL 168 Cb -0.24 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 2pdt s VAL 168 CO 0.31 0.22 0.18 -0.13 0.00 0.00 0.00 175.10 175.67 2pdt s ARG 169 N -0.56 3.67 0.00 2.72 0.52 -1.26 -1.00 118.95 123.03 2pdt s ARG 169 Ca 0.04 -0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.18 2pdt s ARG 169 Cb -0.06 -3.25 0.00 0.00 0.52 0.00 0.00 34.95 32.16 2pdt s ARG 169 CO 0.00 0.66 0.00 -0.40 0.02 0.00 0.00 175.30 175.58 2pdt n ASP 170 N 2.32 0.00 0.30 0.23 5.68 -1.04 -4.87 116.55 119.17 2pdt n ASP 170 Ca -0.18 -0.43 0.18 0.00 -0.50 0.00 0.00 54.79 53.86 2pdt n ASP 170 Cb 0.54 0.00 0.92 0.00 -1.14 0.00 0.00 41.12 41.44 2pdt n ASP 170 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2pdt h GLU 171 N 0.00 0.00 -0.11 0.11 4.39 -1.99 -1.40 114.58 115.57 2pdt h GLU 171 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2pdt h GLU 171 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2pdt h GLU 171 CO 0.00 0.03 -0.17 1.15 -1.16 0.00 0.00 179.01 178.87 2pdt h THR 172 N 0.00 1.18 0.00 1.13 2.02 -2.03 -3.46 112.91 111.75 2pdt h THR 172 Ca -0.00 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.36 2pdt h THR 172 Cb 0.24 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 2pdt h THR 172 CO 0.00 0.25 0.00 0.61 0.37 0.00 0.00 175.52 176.75 2pdt n GLY 173 N -0.85 0.19 3.85 2.16 0.00 -0.53 -5.07 105.19 104.94 2pdt n GLY 173 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 2pdt n GLY 173 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pdt s GLU 174 N -0.90 3.09 0.05 1.61 2.02 -1.26 -4.83 118.70 118.47 2pdt s GLU 174 Ca 0.00 -0.73 -0.30 0.00 0.02 0.00 0.00 54.97 53.96 2pdt s GLU 174 Cb 0.00 -2.78 -0.09 0.00 0.10 0.00 0.00 34.13 31.36 2pdt s GLU 174 CO 0.00 0.52 1.96 0.66 0.02 0.00 0.00 175.26 178.42 2pdt n TYR 175 N -0.22 2.53 0.00 1.61 4.01 -1.26 -2.49 117.16 121.34 2pdt n TYR 175 Ca -0.08 -0.35 0.00 0.00 -0.16 0.00 0.00 57.90 57.31 2pdt n TYR 175 Cb 0.54 -2.80 0.00 0.00 -0.31 0.00 0.00 39.34 36.77 2pdt n TYR 175 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2pdt n ARG 176 N 7.31 1.03 -4.59 -0.72 3.00 -0.17 -4.92 116.66 117.60 2pdt n ARG 176 Ca 0.20 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.78 2pdt n ARG 176 Cb 0.40 -0.93 -0.09 0.00 0.00 0.00 0.00 32.46 31.84 2pdt n ARG 176 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2pdt s TYR 177 N -1.86 2.01 -0.03 -0.14 1.51 -0.90 -0.85 117.35 117.09 2pdt s TYR 177 Ca 0.00 -0.98 0.00 0.00 -1.01 0.00 0.00 57.07 55.08 2pdt s TYR 177 Cb 0.00 -1.45 0.03 0.00 -0.11 0.00 0.00 41.96 40.42 2pdt s TYR 177 CO 0.00 0.09 0.00 0.45 -1.11 0.00 0.00 175.55 174.98 2pdt s SER 178 N -3.68 0.51 -0.15 2.29 0.15 -0.74 -0.12 113.70 111.96 2pdt s SER 178 Ca 0.24 -0.02 -0.04 0.00 0.70 0.00 0.00 55.95 56.83 2pdt s SER 178 Cb 0.05 -0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 64.11 2pdt s SER 178 CO 0.12 -0.11 -0.03 -0.32 1.20 0.00 0.00 173.24 174.09 2pdt s MET 179 N 1.13 3.62 -0.01 5.44 1.75 -0.12 -0.90 119.30 130.21 2pdt s MET 179 Ca -0.08 -0.51 0.04 0.00 -1.25 0.00 0.00 55.69 53.89 2pdt s MET 179 Cb -0.13 -2.91 -0.03 0.00 2.84 0.00 0.00 34.83 34.60 2pdt s MET 179 CO -0.02 0.28 -0.12 0.20 -0.65 0.00 0.00 175.02 174.71 2pdt s GLY 180 N 0.26 1.63 -0.17 2.11 0.00 -0.24 -1.13 107.32 109.78 2pdt s GLY 180 Ca -0.03 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.67 2pdt s GLY 180 CO 0.03 -0.86 -0.16 -1.36 0.00 0.00 0.00 173.10 170.74 2pdt s PHE 181 N -0.87 2.80 -0.06 1.90 0.08 0.57 -1.72 117.98 120.68 2pdt s PHE 181 Ca 0.14 -1.30 0.01 0.00 0.12 0.00 0.00 56.93 55.90 2pdt s PHE 181 Cb -0.11 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.38 2pdt s PHE 181 CO 0.04 -0.64 -0.06 -0.65 -0.10 0.00 0.00 175.22 173.81 2pdt s GLN 182 N 1.12 2.74 -0.12 0.44 1.11 -0.60 -1.76 119.66 122.60 2pdt s GLN 182 Ca 0.01 -0.56 -0.05 0.00 0.01 0.00 0.00 55.36 54.77 2pdt s GLN 182 Cb -0.14 -2.59 0.06 0.00 -1.01 0.00 0.00 33.01 29.32 2pdt s GLN 182 CO -0.06 0.66 0.25 0.00 0.01 0.00 0.00 175.29 176.15