#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpw s GLU 2 N 0.00 4.50 0.13 0.03 2.02 -1.26 -4.95 118.70 119.17 3cpw s GLU 2 Ca 0.00 1.65 -0.35 0.00 0.02 0.00 0.00 54.97 56.29 3cpw s GLU 2 Cb 0.00 -2.96 -0.14 0.00 0.10 0.00 0.00 34.13 31.13 3cpw s GLU 2 CO 0.00 0.13 1.53 0.00 0.02 0.00 0.00 175.26 176.94 3cpw n ALA 3 N 0.75 0.81 -0.18 5.21 0.00 -1.26 -4.86 120.51 120.98 3cpw n ALA 3 Ca 0.01 0.46 -0.09 0.00 0.00 0.00 0.00 53.44 53.82 3cpw n ALA 3 Cb 0.47 -2.29 0.01 0.00 0.00 0.00 0.00 19.45 17.64 3cpw n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3cpw h LEU 4 N 5.72 0.78 0.00 0.00 3.38 -1.92 -3.47 115.31 119.80 3cpw h LEU 4 Ca -0.46 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.29 3cpw h LEU 4 Cb 1.27 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3cpw h LEU 4 CO 0.87 0.80 0.00 0.61 0.09 0.00 0.00 178.44 180.81 3cpw n GLY 5 N -0.64 0.91 3.51 0.83 0.00 -1.26 -4.75 105.19 103.78 3cpw n GLY 5 Ca 0.02 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 3cpw n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cpw s ALA 6 N -2.00 -1.77 -0.15 4.61 0.00 -1.26 -4.29 121.76 116.89 3cpw s ALA 6 Ca 0.00 1.16 -0.15 0.00 0.00 0.00 0.00 51.96 52.97 3cpw s ALA 6 Cb 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 3cpw s ALA 6 CO 0.00 -0.48 0.35 -0.51 0.00 0.00 0.00 175.76 175.12 3cpw s ASP 7 N -1.66 6.50 -0.04 0.00 1.01 0.31 -4.92 116.67 117.86 3cpw s ASP 7 Ca -0.05 0.59 0.04 0.00 0.71 0.00 0.00 52.55 53.85 3cpw s ASP 7 Cb -0.00 -2.22 -0.02 0.00 1.01 0.00 0.00 42.92 41.69 3cpw s ASP 7 CO 0.01 0.05 -0.16 -0.69 0.21 0.00 0.00 175.17 174.59 3cpw s VAL 8 N 0.59 2.89 -0.45 -1.27 1.01 -1.26 -0.52 120.40 121.39 3cpw s VAL 8 Ca 0.19 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 3cpw s VAL 8 Cb -0.14 -2.11 0.10 0.00 0.00 0.00 0.00 36.38 34.23 3cpw s VAL 8 CO 0.06 0.59 0.31 -0.89 0.00 0.00 0.00 175.10 175.17 3cpw s THR 9 N -0.70 4.26 -0.06 3.92 2.01 -1.26 -5.04 115.64 118.77 3cpw s THR 9 Ca 0.11 -1.58 -0.37 0.00 0.31 0.00 0.00 61.69 60.16 3cpw s THR 9 Cb -0.11 -3.70 -0.15 0.00 0.01 0.00 0.00 72.50 68.55 3cpw s THR 9 CO 0.00 -0.64 1.61 0.00 -0.69 0.00 0.00 174.62 174.90 3cpw n GLN 10 N 4.92 1.49 -0.20 4.92 3.00 -1.26 -4.83 117.38 125.42 3cpw n GLN 10 Ca -0.09 0.54 0.08 0.00 -0.01 0.00 0.00 57.00 57.52 3cpw n GLN 10 Cb 0.42 -2.25 0.19 0.00 0.00 0.00 0.00 30.24 28.59 3cpw n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3cpw n GLY 11 N 3.56 2.01 3.21 1.08 0.00 -1.16 -4.89 105.19 109.01 3cpw n GLY 11 Ca 0.22 -0.55 -0.19 0.00 0.00 0.00 0.00 46.02 45.50 3cpw n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cpw s LEU 12 N -1.11 2.32 0.34 0.99 1.43 -0.35 -4.92 118.68 117.38 3cpw s LEU 12 Ca 0.31 -0.69 0.05 0.00 -1.03 0.00 0.00 54.13 52.76 3cpw s LEU 12 Cb 0.17 -0.59 -0.07 0.00 0.03 0.00 0.00 46.19 45.74 3cpw s LEU 12 CO 0.23 -0.08 0.04 -1.61 0.23 0.00 0.00 176.35 175.17 3cpw s GLU 13 N -2.07 1.71 0.15 1.70 2.02 -1.26 -0.01 118.70 120.93 3cpw s GLU 13 Ca 0.03 -1.95 -0.31 0.00 0.02 0.00 0.00 54.97 52.76 3cpw s GLU 13 Cb -0.08 -1.03 -0.11 0.00 0.10 0.00 0.00 34.13 33.01 3cpw s GLU 13 CO 0.03 -0.15 1.75 0.21 0.02 0.00 0.00 175.26 177.12 3cpw s LYS 14 N -3.85 4.15 0.00 1.61 2.20 -0.22 -1.54 119.74 122.08 3cpw s LYS 14 Ca 0.36 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.52 3cpw s LYS 14 Cb 0.09 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 3cpw s LYS 14 CO 0.16 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.78 3cpw n GLY 15 N 4.07 0.63 3.76 5.54 0.00 0.33 -4.96 105.19 114.57 3cpw n GLY 15 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3cpw n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cpw s SER 16 N -1.89 5.75 -0.21 1.61 0.01 -0.59 -4.66 113.70 113.72 3cpw s SER 16 Ca 0.00 2.43 -0.08 0.00 1.31 0.00 0.00 55.95 59.61 3cpw s SER 16 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 3cpw s SER 16 CO 0.00 -1.21 0.08 -0.76 0.41 0.00 0.00 173.24 171.75 3cpw s LEU 17 N -3.38 3.73 0.08 2.44 1.43 -1.26 -0.87 118.68 120.86 3cpw s LEU 17 Ca 0.68 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 3cpw s LEU 17 Cb -0.32 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 3cpw s LEU 17 CO 0.37 0.09 -0.04 0.27 0.23 0.00 0.00 176.35 177.28 3cpw s ILE 18 N 0.86 0.42 0.37 -0.59 -4.36 0.13 -4.96 121.20 113.07 3cpw s ILE 18 Ca 0.04 -1.87 -0.26 0.00 -0.26 0.00 0.00 60.65 58.30 3cpw s ILE 18 Cb -0.14 -1.65 -0.09 0.00 1.25 0.00 0.00 42.46 41.84 3cpw s ILE 18 CO 0.03 -0.89 1.14 -0.89 0.24 0.00 0.00 174.94 174.57 3cpw s THR 19 N -3.80 3.29 -0.69 8.37 2.01 -0.71 0.33 115.64 124.45 3cpw s THR 19 Ca 0.11 1.13 -0.13 0.00 0.31 0.00 0.00 61.69 63.11 3cpw s THR 19 Cb 0.07 -3.65 0.18 0.00 0.01 0.00 0.00 72.50 69.10 3cpw s THR 19 CO -0.06 0.14 0.61 0.00 -0.69 0.00 0.00 174.62 174.62 3cpw n ALA 21 N 4.39 3.50 -3.13 0.00 0.00 0.03 -4.76 120.51 120.54 3cpw n ALA 21 Ca 0.03 -1.00 -0.01 0.00 0.00 0.00 0.00 53.44 52.46 3cpw n ALA 21 Cb 0.43 -2.44 -0.00 0.00 0.00 0.00 0.00 19.45 17.44 3cpw n ALA 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3cpw n ASP 22 N 3.20 -0.20 -1.56 0.00 5.68 -1.26 -1.09 116.55 121.32 3cpw n ASP 22 Ca 0.23 -1.24 -0.14 0.00 -0.50 0.00 0.00 54.79 53.13 3cpw n ASP 22 Cb 0.32 0.36 0.10 0.00 -1.14 0.00 0.00 41.12 40.77 3cpw n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3cpw n ASN 23 N -1.90 3.96 0.13 -1.12 6.94 -1.07 -4.70 115.26 117.50 3cpw n ASN 23 Ca -0.00 -3.80 0.13 0.00 -0.02 0.00 0.00 54.58 50.89 3cpw n ASN 23 Cb 0.08 -0.49 0.42 0.00 -2.36 0.00 0.00 39.78 37.43 3cpw n ASN 23 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 3cpw h THR 24 N 1.60 0.00 0.00 5.53 1.35 -1.92 -3.44 112.91 116.03 3cpw h THR 24 Ca 0.27 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 3cpw h THR 24 Cb 1.37 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 3cpw h THR 24 CO 0.58 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 3cpw n GLY 25 N 0.91 1.61 3.69 5.82 0.00 -1.26 -4.99 105.19 110.97 3cpw n GLY 25 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3cpw n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cpw s ALA 26 N -2.18 3.47 -0.25 4.61 0.00 -1.26 -2.05 121.76 124.10 3cpw s ALA 26 Ca 0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 51.96 51.66 3cpw s ALA 26 Cb 0.00 -2.86 -0.15 0.00 0.00 0.00 0.00 23.12 20.10 3cpw s ALA 26 CO 0.00 -0.26 -0.11 0.54 0.00 0.00 0.00 175.76 175.93 3cpw n ARG 27 N 4.28 0.59 -5.16 0.00 1.74 0.18 -4.56 116.66 113.74 3cpw n ARG 27 Ca -0.03 0.38 -0.30 0.00 -0.77 0.00 0.00 57.85 57.13 3cpw n ARG 27 Cb 0.51 -1.60 -0.16 0.00 -1.02 0.00 0.00 32.46 30.19 3cpw n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3cpw s GLU 28 N -2.46 2.24 -0.01 5.56 2.12 -0.71 -2.06 118.70 123.38 3cpw s GLU 28 Ca -0.34 -0.83 0.06 0.00 0.36 0.00 0.00 54.97 54.22 3cpw s GLU 28 Cb 0.11 -1.97 -0.03 0.00 0.26 0.00 0.00 34.13 32.51 3cpw s GLU 28 CO 0.54 0.38 -0.20 -0.51 -0.54 0.00 0.00 175.26 174.94 3cpw s LEU 29 N -0.22 2.43 -0.22 2.70 1.43 0.15 -1.21 118.68 123.74 3cpw s LEU 29 Ca -0.01 -0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 3cpw s LEU 29 Cb -0.12 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 3cpw s LEU 29 CO 0.02 0.31 -0.02 -0.75 0.23 0.00 0.00 176.35 176.14 3cpw s LYS 30 N -0.88 3.44 0.07 1.70 2.20 -0.39 0.19 119.74 126.07 3cpw s LYS 30 Ca 0.12 -0.59 -0.31 0.00 -0.36 0.00 0.00 55.97 54.83 3cpw s LYS 30 Cb -0.10 -3.07 -0.07 0.00 -1.51 0.00 0.00 37.83 33.08 3cpw s LYS 30 CO 0.01 -0.18 1.50 0.08 -0.36 0.00 0.00 175.35 176.40 3cpw s VAL 31 N 1.48 3.27 -0.15 4.02 1.01 -0.05 -1.66 120.40 128.32 3cpw s VAL 31 Ca 0.06 0.78 -0.02 0.00 0.00 0.00 0.00 61.98 62.79 3cpw s VAL 31 Cb -0.14 -3.50 -0.08 0.00 0.00 0.00 0.00 36.38 32.65 3cpw s VAL 31 CO -0.02 0.02 -0.15 -0.38 0.00 0.00 0.00 175.10 174.57 3cpw n ILE 32 N 4.46 0.82 -3.75 2.22 5.41 -0.57 0.12 119.36 128.08 3cpw n ILE 32 Ca 0.14 -0.27 -0.10 0.00 1.00 0.00 0.00 62.75 63.52 3cpw n ILE 32 Cb 0.42 -1.28 -0.06 0.00 -0.71 0.00 0.00 39.64 38.00 3cpw n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3cpw s SER 33 N -5.77 -0.06 -0.25 4.38 0.01 -1.07 -4.76 113.70 106.17 3cpw s SER 33 Ca -0.20 -0.45 -0.00 0.00 1.31 0.00 0.00 55.95 56.61 3cpw s SER 33 Cb 0.06 0.40 0.04 0.00 0.21 0.00 0.00 66.02 66.73 3cpw s SER 33 CO 0.30 -0.77 -0.08 -0.69 0.41 0.00 0.00 173.24 172.42 3cpw s VAL 34 N -3.68 2.66 0.13 3.43 1.01 -1.26 -0.19 120.40 122.50 3cpw s VAL 34 Ca 0.03 -1.21 -0.35 0.00 0.00 0.00 0.00 61.98 60.45 3cpw s VAL 34 Cb 0.03 -2.40 -0.16 0.00 0.00 0.00 0.00 36.38 33.84 3cpw s VAL 34 CO -0.11 0.13 1.26 1.57 0.00 0.00 0.00 175.10 177.95 3cpw n HIS 35 N 4.61 1.41 -0.92 5.22 -0.00 0.12 -1.67 115.22 123.97 3cpw n HIS 35 Ca -0.16 0.66 0.00 0.00 0.46 0.00 0.00 57.72 58.68 3cpw n HIS 35 Cb 0.46 -2.31 0.00 0.00 -0.12 0.00 0.00 29.99 28.02 3cpw n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3cpw n GLY 36 N 2.28 0.30 3.89 1.57 0.00 -1.26 -4.80 105.19 107.18 3cpw n GLY 36 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3cpw n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3cpw s TYR 37 N -1.74 3.53 -0.17 1.61 5.04 -0.67 -5.08 117.35 119.87 3cpw s TYR 37 Ca 0.00 0.53 -0.05 0.00 -2.44 0.00 0.00 57.07 55.11 3cpw s TYR 37 Cb 0.00 -1.97 0.08 0.00 0.35 0.00 0.00 41.96 40.42 3cpw s TYR 37 CO 0.00 0.54 0.33 -1.54 -1.34 0.00 0.00 175.55 173.55 3cpw s SER 38 N -2.08 0.15 0.00 4.32 1.04 -1.26 -4.95 113.70 110.92 3cpw s SER 38 Ca 0.34 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.45 3cpw s SER 38 Cb -0.13 0.98 0.00 0.00 0.10 0.00 0.00 66.02 66.97 3cpw s SER 38 CO 0.21 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.79 3cpw n GLY 39 N 5.37 0.69 3.59 7.32 0.00 -1.26 -5.14 105.19 115.75 3cpw n GLY 39 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 3cpw n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3cpw s THR 40 N 1.64 0.02 0.07 2.61 -1.32 -1.26 -5.06 115.64 112.33 3cpw s THR 40 Ca 0.00 -0.77 -0.37 0.00 -1.21 0.00 0.00 61.69 59.33 3cpw s THR 40 Cb 0.00 -1.64 -0.18 0.00 -1.51 0.00 0.00 72.50 69.17 3cpw s THR 40 CO 0.00 -0.07 1.27 1.17 -2.21 0.00 0.00 174.62 174.78 3cpw n LYS 41 N -0.37 0.86 -0.18 7.08 4.81 -1.26 -0.76 118.16 128.34 3cpw n LYS 41 Ca -0.09 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 3cpw n LYS 41 Cb 0.62 -1.91 0.00 0.00 0.02 0.00 0.00 35.03 33.75 3cpw n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3cpw n ASN 42 N 2.26 0.00 -4.71 3.14 3.02 -1.26 -4.97 115.26 112.74 3cpw n ASN 42 Ca 0.19 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.32 3cpw n ASN 42 Cb 0.16 -0.82 -0.03 0.00 -0.61 0.00 0.00 39.78 38.48 3cpw n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3cpw s ARG 43 N -0.11 4.52 -0.08 3.52 3.52 0.06 -5.01 118.95 125.37 3cpw s ARG 43 Ca 0.00 1.32 -0.30 0.00 -0.13 0.00 0.00 55.73 56.62 3cpw s ARG 43 Cb 0.00 -3.47 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 3cpw s ARG 43 CO 0.00 -0.07 1.23 -1.01 -0.81 0.00 0.00 175.30 174.64 3cpw s HIS 44 N 1.11 3.08 0.08 5.12 3.76 -1.26 -4.62 115.29 122.56 3cpw s HIS 44 Ca 0.49 1.13 -0.33 0.00 -0.15 0.00 0.00 55.06 56.20 3cpw s HIS 44 Cb -0.20 -3.46 -0.12 0.00 1.11 0.00 0.00 32.58 29.91 3cpw s HIS 44 CO 0.25 -1.49 1.77 -0.35 -0.85 0.00 0.00 174.74 174.07 3cpw n PRO 45 N 5.59 2.44 -4.27 8.40 -0.04 -1.26 -4.82 135.00 141.04 3cpw n PRO 45 Ca 0.12 0.89 -0.32 0.00 -0.04 0.00 0.00 63.50 64.15 3cpw n PRO 45 Cb 0.46 -2.73 -0.09 0.00 -0.04 0.00 0.00 33.50 31.10 3cpw n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3cpw s LYS 46 N 2.49 2.66 0.07 0.54 -2.85 -1.26 -1.06 119.74 120.32 3cpw s LYS 46 Ca 0.84 -0.71 0.04 0.00 -1.00 0.00 0.00 55.97 55.13 3cpw s LYS 46 Cb -0.60 -2.59 -0.03 0.00 -2.06 0.00 0.00 37.83 32.55 3cpw s LYS 46 CO 0.41 0.59 -0.11 0.00 0.10 0.00 0.00 175.35 176.34 3cpw s ALA 47 N -1.14 0.93 0.00 0.59 0.00 0.98 -4.93 121.76 118.19 3cpw s ALA 47 Ca 0.21 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.22 3cpw s ALA 47 Cb -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3cpw s ALA 47 CO 0.12 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.35 3cpw n GLY 48 N 1.20 3.41 3.63 0.00 0.00 -1.26 -1.21 105.19 110.96 3cpw n GLY 48 Ca -0.21 -1.33 -0.54 0.00 0.00 0.00 0.00 46.02 43.94 3cpw n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cpw n LEU 49 N 0.00 1.94 0.00 0.99 4.77 -1.26 -1.72 117.00 121.71 3cpw n LEU 49 Ca 0.00 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.08 3cpw n LEU 49 Cb 0.00 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 39.91 3cpw n LEU 49 CO 0.00 -0.82 0.00 0.61 -1.33 0.00 0.00 177.39 175.85 3cpw n GLY 50 N 3.13 1.41 3.82 -0.72 0.00 -0.89 -5.00 105.19 106.94 3cpw n GLY 50 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 3cpw n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cpw s ASP 51 N -3.05 6.98 -0.20 1.61 1.01 -0.70 -4.82 116.67 117.49 3cpw s ASP 51 Ca 0.00 1.58 -0.12 0.00 0.71 0.00 0.00 52.55 54.72 3cpw s ASP 51 Cb 0.00 -2.49 -0.05 0.00 1.01 0.00 0.00 42.92 41.39 3cpw s ASP 51 CO 0.00 -0.22 0.22 -0.75 0.21 0.00 0.00 175.17 174.63 3cpw s LYS 52 N -2.79 4.16 0.10 8.23 2.20 -1.26 -1.55 119.74 128.83 3cpw s LYS 52 Ca 0.56 -0.10 0.06 0.00 -0.36 0.00 0.00 55.97 56.13 3cpw s LYS 52 Cb -0.12 -3.48 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 3cpw s LYS 52 CO 0.17 0.15 -0.15 0.96 -0.36 0.00 0.00 175.35 176.12 3cpw s ILE 53 N 0.76 1.28 0.08 5.43 -4.36 0.85 -0.71 121.20 124.54 3cpw s ILE 53 Ca 0.11 -1.52 -0.18 0.00 -0.26 0.00 0.00 60.65 58.80 3cpw s ILE 53 Cb -0.13 -1.34 -0.07 0.00 1.25 0.00 0.00 42.46 42.18 3cpw s ILE 53 CO 0.03 -0.29 0.55 -0.89 0.24 0.00 0.00 174.94 174.58 3cpw s THR 54 N -1.65 4.78 0.11 8.37 2.01 0.74 -0.07 115.64 129.91 3cpw s THR 54 Ca 0.04 1.14 -0.02 0.00 0.31 0.00 0.00 61.69 63.16 3cpw s THR 54 Cb -0.08 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 3cpw s THR 54 CO 0.03 0.51 0.04 -0.69 -0.69 0.00 0.00 174.62 173.83 3cpw s VAL 55 N -1.16 0.13 0.08 3.82 1.01 0.26 -1.51 120.40 123.04 3cpw s VAL 55 Ca 0.30 -1.85 0.08 0.00 0.00 0.00 0.00 61.98 60.51 3cpw s VAL 55 Cb -0.19 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 3cpw s VAL 55 CO 0.19 -0.61 -0.20 -0.94 0.00 0.00 0.00 175.10 173.53 3cpw s SER 56 N -3.01 2.43 -0.35 3.32 1.04 -0.67 -0.15 113.70 116.33 3cpw s SER 56 Ca 0.19 -0.62 -0.22 0.00 0.48 0.00 0.00 55.95 55.77 3cpw s SER 56 Cb 0.07 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.04 3cpw s SER 56 CO -0.02 0.08 0.72 -0.69 0.98 0.00 0.00 173.24 174.31 3cpw s VAL 57 N -1.04 4.81 -0.06 5.02 1.01 -0.85 -1.26 120.40 128.04 3cpw s VAL 57 Ca 0.06 0.83 -0.03 0.00 0.00 0.00 0.00 61.98 62.85 3cpw s VAL 57 Cb -0.10 -4.14 -0.27 0.00 0.00 0.00 0.00 36.38 31.88 3cpw s VAL 57 CO 0.03 -0.34 0.61 0.74 0.00 0.00 0.00 175.10 176.15 3cpw h THR 58 N 5.68 0.87 -3.77 3.92 2.02 -1.51 -1.65 112.91 118.48 3cpw h THR 58 Ca -0.25 -2.57 -0.31 0.00 0.77 0.00 0.00 66.41 64.05 3cpw h THR 58 Cb 1.10 2.61 -0.30 0.00 -1.74 0.00 0.00 68.15 69.82 3cpw h THR 58 CO 0.87 0.80 -0.75 -0.54 0.37 0.00 0.00 175.52 176.27 3cpw s LYS 59 N -2.59 0.33 0.00 6.66 1.02 -1.08 -4.93 119.74 119.16 3cpw s LYS 59 Ca -0.14 -0.09 0.00 0.00 0.02 0.00 0.00 55.97 55.75 3cpw s LYS 59 Cb 0.07 -0.36 0.00 0.00 -0.52 0.00 0.00 37.83 37.02 3cpw s LYS 59 CO 0.82 0.03 0.00 0.41 -0.92 0.00 0.00 175.35 175.69 3cpw n GLY 60 N 3.26 -0.23 3.79 -3.33 0.00 -1.26 0.50 105.19 107.93 3cpw n GLY 60 Ca -0.16 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 3cpw n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cpw s THR 61 N -3.45 3.54 0.28 2.61 -4.23 -0.87 -4.80 115.64 108.72 3cpw s THR 61 Ca 0.00 0.95 0.01 0.00 -1.18 0.00 0.00 61.69 61.47 3cpw s THR 61 Cb 0.00 -3.38 0.27 0.00 1.34 0.00 0.00 72.50 70.73 3cpw s THR 61 CO 0.00 -0.22 1.71 -0.65 -0.54 0.00 0.00 174.62 174.92 3cpw h PRO 62 N 1.36 0.44 0.00 3.99 0.11 -1.95 -0.72 132.00 135.22 3cpw h PRO 62 Ca -0.50 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 3cpw h PRO 62 Cb 1.24 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3cpw h PRO 62 CO 0.58 0.29 -0.36 0.93 -0.21 0.00 0.00 178.00 179.23 3cpw h GLU 63 N 0.45 0.00 0.14 1.05 4.39 -1.99 -3.22 114.58 115.40 3cpw h GLU 63 Ca 0.52 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.88 3cpw h GLU 63 Cb 0.90 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 3cpw h GLU 63 CO -0.48 0.36 -1.74 0.52 -1.16 0.00 0.00 179.01 176.51 3cpw h MET 64 N 0.00 0.29 -6.39 2.33 2.86 -1.55 -3.46 114.93 109.01 3cpw h MET 64 Ca -0.00 -0.49 -0.58 0.00 -2.06 0.00 0.00 59.70 56.57 3cpw h MET 64 Cb 0.68 0.18 0.18 0.00 0.06 0.00 0.00 31.60 32.70 3cpw h MET 64 CO 0.05 1.16 -0.65 0.54 1.06 0.00 0.00 176.91 179.07 3cpw n ARG 65 N -3.47 0.31 -0.14 1.72 1.74 -0.43 -2.24 116.66 114.15 3cpw n ARG 65 Ca -0.23 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 3cpw n ARG 65 Cb 1.06 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.97 3cpw n ARG 65 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3cpw n ARG 66 N 0.29 0.00 -2.40 5.56 1.74 -0.62 -4.90 116.66 116.33 3cpw n ARG 66 Ca 0.10 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.78 3cpw n ARG 66 Cb 0.48 -3.80 -0.04 0.00 -1.02 0.00 0.00 32.46 28.09 3cpw n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3cpw s GLN 67 N -0.21 4.55 -0.45 5.56 -0.21 -0.95 -4.71 119.66 123.24 3cpw s GLN 67 Ca 0.00 1.87 -0.16 0.00 0.02 0.00 0.00 55.36 57.09 3cpw s GLN 67 Cb 0.00 -3.13 0.04 0.00 1.00 0.00 0.00 33.01 30.93 3cpw s GLN 67 CO 0.00 0.11 0.42 0.08 -2.12 0.00 0.00 175.29 173.78 3cpw s VAL 68 N -1.19 5.14 0.34 1.09 1.01 -1.26 -2.01 120.40 123.53 3cpw s VAL 68 Ca 0.46 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 61.86 3cpw s VAL 68 Cb -0.33 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 31.91 3cpw s VAL 68 CO 0.43 -0.49 -0.03 -0.76 0.00 0.00 0.00 175.10 174.24 3cpw s LEU 69 N 1.95 2.60 0.13 3.92 1.43 0.79 -4.94 118.68 124.56 3cpw s LEU 69 Ca 0.08 -1.27 -0.03 0.00 -1.03 0.00 0.00 54.13 51.88 3cpw s LEU 69 Cb -0.20 -0.76 -0.05 0.00 0.03 0.00 0.00 46.19 45.21 3cpw s LEU 69 CO 0.10 -0.38 0.34 -0.70 0.23 0.00 0.00 176.35 175.95 3cpw s GLU 70 N -3.72 3.57 0.21 1.70 2.12 -1.26 0.91 118.70 122.23 3cpw s GLU 70 Ca 0.33 -0.19 -0.15 0.00 0.36 0.00 0.00 54.97 55.31 3cpw s GLU 70 Cb 0.06 -2.89 0.01 0.00 0.26 0.00 0.00 34.13 31.57 3cpw s GLU 70 CO 0.15 0.49 0.50 0.00 -0.54 0.00 0.00 175.26 175.86 3cpw s ALA 71 N -1.64 -0.66 -0.09 6.30 0.00 0.89 -0.85 121.76 125.71 3cpw s ALA 71 Ca 0.39 -0.48 0.04 0.00 0.00 0.00 0.00 51.96 51.92 3cpw s ALA 71 Cb -0.12 0.90 0.00 0.00 0.00 0.00 0.00 23.12 23.90 3cpw s ALA 71 CO 0.26 -0.81 -0.22 0.08 0.00 0.00 0.00 175.76 175.07 3cpw s VAL 72 N -3.92 1.86 -0.09 0.00 1.01 -0.43 -0.10 120.40 118.73 3cpw s VAL 72 Ca 0.14 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 3cpw s VAL 72 Cb -0.01 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 3cpw s VAL 72 CO 0.01 0.52 1.11 -0.69 0.00 0.00 0.00 175.10 176.05 3cpw s VAL 73 N 0.32 4.52 -0.03 2.92 1.01 -0.59 -1.14 120.40 127.41 3cpw s VAL 73 Ca -0.16 1.81 0.10 0.00 0.00 0.00 0.00 61.98 63.74 3cpw s VAL 73 Cb -0.17 -4.17 -0.16 0.00 0.00 0.00 0.00 36.38 31.89 3cpw s VAL 73 CO 0.07 -0.02 0.23 0.52 0.00 0.00 0.00 175.10 175.91 3cpw n VAL 74 N 4.66 0.00 -3.70 2.92 0.31 -0.14 -2.09 118.33 120.29 3cpw n VAL 74 Ca 0.10 -0.24 -0.14 0.00 -0.01 0.00 0.00 64.34 64.05 3cpw n VAL 74 Cb 0.47 0.29 -0.08 0.00 -0.91 0.00 0.00 33.84 33.61 3cpw n VAL 74 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3cpw s ARG 75 N -2.69 0.73 -0.02 5.55 0.52 -0.76 -3.45 118.95 118.83 3cpw s ARG 75 Ca -0.04 0.07 -0.19 0.00 -0.52 0.00 0.00 55.73 55.06 3cpw s ARG 75 Cb 0.07 0.33 0.03 0.00 0.52 0.00 0.00 34.95 35.90 3cpw s ARG 75 CO 0.43 -0.19 0.40 1.14 0.02 0.00 0.00 175.30 177.09 3cpw s GLN 76 N -0.99 0.77 0.19 3.54 -2.07 -1.17 -1.43 119.66 118.50 3cpw s GLN 76 Ca -0.10 -0.10 0.01 0.00 -1.82 0.00 0.00 55.36 53.35 3cpw s GLN 76 Cb -0.04 0.35 0.11 0.00 -1.09 0.00 0.00 33.01 32.34 3cpw s GLN 76 CO 0.05 -0.22 1.47 0.00 -1.32 0.00 0.00 175.29 175.26 3cpw h ARG 77 N 3.62 0.31 -6.54 9.60 3.08 -1.76 -2.30 114.38 120.38 3cpw h ARG 77 Ca -0.29 -0.25 -0.53 0.00 0.07 0.00 0.00 59.98 58.98 3cpw h ARG 77 Cb 1.17 0.05 0.02 0.00 0.08 0.00 0.00 29.97 31.29 3cpw h ARG 77 CO 0.40 0.90 0.66 0.21 -1.07 0.00 0.00 179.97 181.06 3cpw s LYS 78 N -3.58 4.37 0.79 0.04 2.47 -1.26 -4.33 119.74 118.24 3cpw s LYS 78 Ca -0.05 1.96 -0.14 0.00 -1.56 0.00 0.00 55.97 56.19 3cpw s LYS 78 Cb 0.11 -3.28 0.05 0.00 -1.46 0.00 0.00 37.83 33.25 3cpw s LYS 78 CO 0.82 -0.35 1.01 -2.30 0.16 0.00 0.00 175.35 174.69 3cpw n PRO 79 N 3.78 0.22 -4.24 4.03 -0.02 -1.26 -4.82 135.00 132.70 3cpw n PRO 79 Ca 0.10 0.14 -0.17 0.00 -2.02 0.00 0.00 63.50 61.55 3cpw n PRO 79 Cb 0.44 -2.27 -0.11 0.00 -0.02 0.00 0.00 33.50 31.53 3cpw n PRO 79 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3cpw s ILE 80 N -2.06 1.28 -0.13 4.25 -4.36 -0.27 -4.00 121.20 115.91 3cpw s ILE 80 Ca 0.71 -1.75 -0.02 0.00 -0.26 0.00 0.00 60.65 59.34 3cpw s ILE 80 Cb -0.30 -1.55 -0.02 0.00 1.25 0.00 0.00 42.46 41.84 3cpw s ILE 80 CO 0.53 -0.47 -0.08 -0.60 0.24 0.00 0.00 174.94 174.56 3cpw s ARG 81 N -2.80 3.41 0.20 0.37 3.52 0.32 -0.62 118.95 123.36 3cpw s ARG 81 Ca 0.09 -0.59 0.01 0.00 -0.13 0.00 0.00 55.73 55.12 3cpw s ARG 81 Cb -0.04 -2.75 -0.04 0.00 -1.56 0.00 0.00 34.95 30.56 3cpw s ARG 81 CO 0.03 0.30 0.37 1.03 -0.81 0.00 0.00 175.30 176.21 3cpw s ARG 82 N 0.17 3.48 0.44 5.12 0.52 -0.52 -0.53 118.95 127.62 3cpw s ARG 82 Ca -0.04 -0.50 0.34 0.00 -0.52 0.00 0.00 55.73 55.01 3cpw s ARG 82 Cb -0.14 -2.87 1.46 0.00 0.52 0.00 0.00 34.95 33.92 3cpw s ARG 82 CO 0.04 0.42 1.49 -2.30 0.02 0.00 0.00 175.30 174.97 3cpw n PRO 83 N -0.86 -0.03 -0.12 3.54 -0.02 -1.26 0.12 135.00 136.38 3cpw n PRO 83 Ca -0.06 1.17 0.04 0.00 -2.02 0.00 0.00 63.50 62.62 3cpw n PRO 83 Cb 0.55 -2.36 0.10 0.00 -0.02 0.00 0.00 33.50 31.76 3cpw n PRO 83 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3cpw n ASP 84 N -4.48 1.23 0.00 2.55 5.75 -1.26 -4.90 116.55 115.43 3cpw n ASP 84 Ca 0.39 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 53.16 3cpw n ASP 84 Cb 1.57 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 41.50 3cpw n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cpw n GLY 85 N 0.83 2.55 3.77 6.12 0.00 0.33 -5.03 105.19 113.76 3cpw n GLY 85 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 3cpw n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cpw s THR 86 N -2.35 3.10 0.12 2.61 2.01 -1.25 -4.72 115.64 115.16 3cpw s THR 86 Ca 0.00 0.93 -0.03 0.00 0.31 0.00 0.00 61.69 62.91 3cpw s THR 86 Cb 0.00 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 3cpw s THR 86 CO 0.00 0.10 0.32 -0.13 -0.69 0.00 0.00 174.62 174.22 3cpw s ARG 87 N -2.26 3.55 -0.04 4.92 1.81 -1.26 -1.44 118.95 124.23 3cpw s ARG 87 Ca 0.57 -0.22 0.01 0.00 -1.72 0.00 0.00 55.73 54.37 3cpw s ARG 87 Cb -0.32 -2.91 0.02 0.00 -0.45 0.00 0.00 34.95 31.29 3cpw s ARG 87 CO 0.40 0.51 -0.06 0.08 -0.68 0.00 0.00 175.30 175.54 3cpw s VAL 88 N -1.63 0.62 0.04 3.52 1.01 0.21 -4.91 120.40 119.26 3cpw s VAL 88 Ca 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.16 3cpw s VAL 88 Cb -0.12 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 3cpw s VAL 88 CO 0.26 0.23 -0.02 -1.59 0.00 0.00 0.00 175.10 173.98 3cpw s LYS 89 N 0.67 0.49 0.54 2.72 -2.85 -1.26 -1.12 119.74 118.92 3cpw s LYS 89 Ca -0.10 -0.93 0.05 0.00 -1.00 0.00 0.00 55.97 54.00 3cpw s LYS 89 Cb -0.13 0.17 0.03 0.00 -2.06 0.00 0.00 37.83 35.85 3cpw s LYS 89 CO 0.01 -0.09 0.37 -0.06 0.10 0.00 0.00 175.35 175.68 3cpw s PHE 90 N -2.80 1.67 -0.02 1.78 0.40 -0.87 -5.03 117.98 113.12 3cpw s PHE 90 Ca -0.03 -0.84 0.11 0.00 -0.60 0.00 0.00 56.93 55.57 3cpw s PHE 90 Cb -0.00 -1.90 -0.09 0.00 0.51 0.00 0.00 43.02 41.53 3cpw s PHE 90 CO -0.06 -0.42 1.29 1.49 0.70 0.00 0.00 175.22 178.22 3cpw h GLU 91 N 0.80 0.00 0.00 0.44 4.22 -1.94 -3.39 114.58 114.71 3cpw h GLU 91 Ca -0.37 0.00 -0.27 0.00 0.08 0.00 0.00 59.36 58.79 3cpw h GLU 91 Cb 1.30 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.48 3cpw h GLU 91 CO 0.58 0.72 -0.20 -0.40 -2.18 0.00 0.00 179.01 177.54 3cpw n ASP 92 N -3.25 -0.94 -4.41 1.04 5.75 -1.26 -4.91 116.55 108.56 3cpw n ASP 92 Ca -0.01 -2.60 -0.34 0.00 -0.01 0.00 0.00 54.79 51.83 3cpw n ASP 92 Cb 0.86 1.84 -0.13 0.00 -1.03 0.00 0.00 41.12 42.65 3cpw n ASP 92 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3cpw s ASN 93 N -2.79 4.47 0.00 -1.12 0.01 -1.26 -3.06 114.94 111.19 3cpw s ASN 93 Ca 0.26 -0.25 -0.08 0.00 -0.71 0.00 0.00 52.86 52.07 3cpw s ASN 93 Cb -0.00 -1.73 0.00 0.00 0.41 0.00 0.00 41.25 39.93 3cpw s ASN 93 CO 0.19 0.11 0.16 0.00 -1.51 0.00 0.00 177.10 176.04 3cpw s ALA 94 N 0.71 -0.37 0.10 0.60 0.00 -0.51 -1.73 121.76 120.56 3cpw s ALA 94 Ca -0.03 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 51.84 3cpw s ALA 94 Cb -0.15 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 3cpw s ALA 94 CO 0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 175.76 175.52 3cpw s ALA 95 N -1.45 0.93 -0.15 0.00 0.00 0.15 -0.97 121.76 120.27 3cpw s ALA 95 Ca -0.14 -1.36 0.02 0.00 0.00 0.00 0.00 51.96 50.48 3cpw s ALA 95 Cb -0.07 0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.34 3cpw s ALA 95 CO 0.02 -0.29 -0.21 0.08 0.00 0.00 0.00 175.76 175.36 3cpw s VAL 96 N -3.71 2.11 0.53 0.00 1.01 -0.29 -0.79 120.40 119.26 3cpw s VAL 96 Ca 0.13 -0.95 -0.22 0.00 0.00 0.00 0.00 61.98 60.94 3cpw s VAL 96 Cb 0.06 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 3cpw s VAL 96 CO -0.04 0.54 1.34 -0.63 0.00 0.00 0.00 175.10 176.31 3cpw s ILE 97 N 0.94 2.19 0.08 2.22 1.01 -1.26 -1.31 121.20 125.08 3cpw s ILE 97 Ca -0.04 0.15 -0.05 0.00 0.00 0.00 0.00 60.65 60.71 3cpw s ILE 97 Cb -0.15 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 3cpw s ILE 97 CO -0.05 0.00 0.09 0.54 0.00 0.00 0.00 174.94 175.52 3cpw s VAL 98 N -1.32 0.17 0.02 2.92 0.11 -0.03 -2.40 120.40 119.87 3cpw s VAL 98 Ca 0.70 -1.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.26 3cpw s VAL 98 Cb -0.39 -1.46 0.00 0.00 -1.53 0.00 0.00 36.38 33.00 3cpw s VAL 98 CO 0.47 -0.79 0.02 -0.90 -3.33 0.00 0.00 175.10 170.58 3cpw n ASP 99 N 0.01 0.33 -0.32 3.54 5.68 -0.77 -4.08 116.55 120.93 3cpw n ASP 99 Ca -0.14 -1.06 0.17 0.00 -0.50 0.00 0.00 54.79 53.26 3cpw n ASP 99 Cb 0.62 -0.01 0.41 0.00 -1.14 0.00 0.00 41.12 41.00 3cpw n ASP 99 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3cpw h GLU 100 N 0.00 0.57 -0.01 0.11 5.08 -1.99 0.10 114.58 118.45 3cpw h GLU 100 Ca -0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3cpw h GLU 100 Cb 0.04 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3cpw h GLU 100 CO 0.01 0.38 -0.20 0.09 -1.00 0.00 0.00 179.01 178.30 3cpw n ASN 101 N -4.69 0.87 0.00 1.42 3.02 -1.26 -4.93 115.26 109.68 3cpw n ASN 101 Ca 0.23 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 3cpw n ASN 101 Cb 0.69 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.92 3cpw n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3cpw n GLU 102 N -0.71 0.00 -3.56 3.52 1.02 0.36 -5.04 120.64 116.22 3cpw n GLU 102 Ca 0.13 0.25 -0.37 0.00 -0.02 0.00 0.00 57.16 57.15 3cpw n GLU 102 Cb 0.33 -3.70 -0.06 0.00 -0.02 0.00 0.00 31.44 27.98 3cpw n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3cpw s ASP 103 N -2.99 6.61 0.24 1.62 1.01 -1.26 -4.52 116.67 117.39 3cpw s ASP 103 Ca 0.00 0.72 -0.31 0.00 0.71 0.00 0.00 52.55 53.67 3cpw s ASP 103 Cb 0.00 -2.20 -0.13 0.00 1.01 0.00 0.00 42.92 41.60 3cpw s ASP 103 CO 0.00 0.24 1.43 -0.81 0.21 0.00 0.00 175.17 176.25 3cpw n PRO 104 N 2.55 2.11 -0.01 8.23 -0.04 -1.26 -1.84 135.00 144.74 3cpw n PRO 104 Ca -0.14 0.75 -0.06 0.00 -0.04 0.00 0.00 63.50 64.02 3cpw n PRO 104 Cb 0.53 -2.43 0.14 0.00 -0.04 0.00 0.00 33.50 31.69 3cpw n PRO 104 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3cpw h ARG 105 N 4.34 0.57 0.00 0.54 2.43 -1.79 -3.45 114.38 117.03 3cpw h ARG 105 Ca -0.45 -0.25 -0.18 0.00 -0.81 0.00 0.00 59.98 58.29 3cpw h ARG 105 Cb 1.27 -0.02 0.06 0.00 -0.42 0.00 0.00 29.97 30.87 3cpw h ARG 105 CO 0.77 0.82 0.14 0.41 -1.51 0.00 0.00 179.97 180.60 3cpw n GLY 106 N -0.18 -0.83 0.02 2.80 0.00 -1.26 -4.97 105.19 100.77 3cpw n GLY 106 Ca -0.01 -1.75 0.02 0.00 0.00 0.00 0.00 46.02 44.28 3cpw n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cpw n THR 107 N -2.57 0.20 -4.22 2.61 -1.04 -1.26 -5.00 114.28 102.99 3cpw n THR 107 Ca 0.07 -0.27 -0.17 0.00 -2.04 0.00 0.00 64.05 61.64 3cpw n THR 107 Cb 0.24 -0.07 -0.13 0.00 -1.82 0.00 0.00 70.33 68.55 3cpw n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3cpw s GLU 108 N -2.51 0.65 -0.15 -2.82 2.02 -1.26 -5.05 118.70 109.58 3cpw s GLU 108 Ca -0.04 -0.54 -0.05 0.00 0.02 0.00 0.00 54.97 54.36 3cpw s GLU 108 Cb 0.05 -0.58 -0.04 0.00 0.10 0.00 0.00 34.13 33.67 3cpw s GLU 108 CO 0.38 0.14 0.03 -0.51 0.02 0.00 0.00 175.26 175.33 3cpw s LEU 109 N -0.85 3.68 -0.18 1.80 1.43 -1.26 -2.58 118.68 120.73 3cpw s LEU 109 Ca -0.01 0.08 -0.13 0.00 -1.03 0.00 0.00 54.13 53.03 3cpw s LEU 109 Cb -0.06 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 3cpw s LEU 109 CO 0.00 0.24 0.26 -0.54 0.23 0.00 0.00 176.35 176.54 3cpw s LYS 110 N -0.01 4.23 0.00 1.70 1.02 -0.25 -4.56 119.74 121.87 3cpw s LYS 110 Ca 0.05 0.02 0.00 0.00 0.02 0.00 0.00 55.97 56.06 3cpw s LYS 110 Cb -0.12 -3.44 0.00 0.00 -0.52 0.00 0.00 37.83 33.74 3cpw s LYS 110 CO 0.01 0.21 0.00 0.41 -0.92 0.00 0.00 175.35 175.07 3cpw n GLY 111 N 3.52 -0.75 3.76 -3.33 0.00 -1.26 -4.69 105.19 102.45 3cpw n GLY 111 Ca -0.12 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 3cpw n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cpw s PRO 112 N -1.74 1.50 0.02 1.61 0.04 -1.26 -4.46 135.00 130.71 3cpw s PRO 112 Ca 0.00 0.60 -0.01 0.00 0.04 0.00 0.00 61.00 61.63 3cpw s PRO 112 Cb 0.00 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.67 3cpw s PRO 112 CO 0.00 -2.02 -0.00 0.42 0.04 0.00 0.00 177.00 175.44 3cpw s ILE 113 N -3.10 0.10 0.15 0.56 1.01 -0.63 -4.87 121.20 114.42 3cpw s ILE 113 Ca 0.63 -0.83 -0.30 0.00 0.00 0.00 0.00 60.65 60.14 3cpw s ILE 113 Cb -0.16 -0.27 -0.07 0.00 0.01 0.00 0.00 42.46 41.97 3cpw s ILE 113 CO 0.55 -0.46 1.10 0.00 0.00 0.00 0.00 174.94 176.14 3cpw s ALA 114 N -1.37 3.36 0.28 9.38 0.00 -1.22 0.19 121.76 132.38 3cpw s ALA 114 Ca -0.15 0.80 0.02 0.00 0.00 0.00 0.00 51.96 52.62 3cpw s ALA 114 Cb -0.09 -3.36 0.57 0.00 0.00 0.00 0.00 23.12 20.24 3cpw s ALA 114 CO -0.01 -0.24 1.83 0.07 0.00 0.00 0.00 175.76 177.41 3cpw h ARG 115 N 5.46 0.94 -0.79 0.00 0.11 -1.84 -1.33 114.38 116.94 3cpw h ARG 115 Ca -0.44 -0.06 0.18 0.00 0.10 0.00 0.00 59.98 59.77 3cpw h ARG 115 Cb 1.21 -0.21 -0.05 0.00 1.11 0.00 0.00 29.97 32.03 3cpw h ARG 115 CO 0.74 0.62 0.54 0.93 0.10 0.00 0.00 179.97 182.89 3cpw h GLU 116 N 0.96 0.30 0.00 0.08 3.07 -1.89 0.28 114.58 117.40 3cpw h GLU 116 Ca 0.51 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 3cpw h GLU 116 Cb 0.54 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 3cpw h GLU 116 CO -0.28 0.20 0.00 0.28 -1.40 0.00 0.00 179.01 177.81 3cpw h VAL 117 N 0.31 0.00 -0.00 3.13 2.07 -1.57 -2.64 116.25 117.55 3cpw h VAL 117 Ca 0.39 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.78 3cpw h VAL 117 Cb 1.07 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3cpw h VAL 117 CO -0.11 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.46 3cpw h ALA 118 N 2.09 0.01 0.00 1.67 0.00 -1.06 -2.06 119.26 119.91 3cpw h ALA 118 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3cpw h ALA 118 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3cpw h ALA 118 CO 0.00 -0.15 0.02 1.04 0.00 0.00 0.00 179.25 180.16 3cpw n GLN 119 N -4.75 0.00 0.00 0.00 6.02 -1.00 -2.61 117.38 115.05 3cpw n GLN 119 Ca -0.09 0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 3cpw n GLN 119 Cb 0.34 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.08 3cpw n GLN 119 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3cpw n ARG 120 N -0.85 0.00 -3.88 -1.09 1.74 -1.20 -4.82 116.66 106.56 3cpw n ARG 120 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 3cpw n ARG 120 Cb 0.02 -0.36 -0.12 0.00 -1.02 0.00 0.00 32.46 30.98 3cpw n ARG 120 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3cpw s PHE 121 N -2.00 3.40 0.20 -1.55 0.40 -0.78 -4.95 117.98 112.69 3cpw s PHE 121 Ca 0.00 -3.16 -0.09 0.00 -0.60 0.00 0.00 56.93 53.07 3cpw s PHE 121 Cb 0.00 -2.87 0.12 0.00 0.51 0.00 0.00 43.02 40.78 3cpw s PHE 121 CO 0.00 -0.69 1.76 0.78 0.70 0.00 0.00 175.22 177.77 3cpw h GLY 122 N 6.16 1.15 2.00 4.36 0.00 -1.81 -1.47 103.07 113.46 3cpw h GLY 122 Ca 0.02 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 3cpw h GLY 122 CO 0.72 0.59 -0.16 1.48 0.00 0.00 0.00 176.54 179.17 3cpw h SER 123 N 1.03 0.00 -0.00 0.19 4.64 -1.92 0.39 113.55 117.87 3cpw h SER 123 Ca 0.24 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.54 3cpw h SER 123 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3cpw h SER 123 CO -0.02 0.16 -0.06 0.58 -0.87 0.00 0.00 176.83 176.62 3cpw h VAL 124 N 0.00 1.61 -0.82 0.95 2.07 -1.67 -3.30 116.25 115.09 3cpw h VAL 124 Ca -0.00 -1.87 -0.04 0.00 0.82 0.00 0.00 66.70 65.61 3cpw h VAL 124 Cb 0.38 2.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.96 3cpw h VAL 124 CO 0.02 0.49 0.37 0.00 0.02 0.00 0.00 177.57 178.47 3cpw h ALA 125 N 0.23 1.10 0.00 1.67 0.00 -0.85 -2.05 119.26 119.36 3cpw h ALA 125 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3cpw h ALA 125 Cb 0.84 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3cpw h ALA 125 CO 0.01 0.66 0.00 -1.13 0.00 0.00 0.00 179.25 178.79 3cpw n SER 126 N -4.29 1.43 0.00 0.00 3.41 0.13 -0.80 113.62 113.50 3cpw n SER 126 Ca 0.08 -1.43 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 3cpw n SER 126 Cb 0.16 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 3cpw n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cpw n ALA 127 N 0.39 0.50 -1.75 7.33 0.00 -0.79 -4.99 120.51 121.20 3cpw n ALA 127 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 3cpw n ALA 127 Cb 0.27 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.75 3cpw n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cpw s ALA 128 N -0.36 2.71 -0.20 0.00 0.00 0.02 -4.09 121.76 119.85 3cpw s ALA 128 Ca 0.00 1.12 -0.17 0.00 0.00 0.00 0.00 51.96 52.91 3cpw s ALA 128 Cb 0.00 -3.48 -0.20 0.00 0.00 0.00 0.00 23.12 19.44 3cpw s ALA 128 CO 0.00 -1.16 0.17 2.41 0.00 0.00 0.00 175.76 177.18 3cpw n THR 129 N -1.20 1.59 -4.79 0.00 -1.04 -1.26 -4.91 114.28 102.66 3cpw n THR 129 Ca 0.11 -0.22 -0.26 0.00 -2.04 0.00 0.00 64.05 61.65 3cpw n THR 129 Cb 0.48 -1.94 -0.16 0.00 -1.82 0.00 0.00 70.33 66.89 3cpw n THR 129 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3cpw s MET 130 N -2.43 1.71 -0.31 -2.82 -1.94 -1.26 -5.10 119.30 107.14 3cpw s MET 130 Ca -0.29 -0.58 0.01 0.00 -1.71 0.00 0.00 55.69 53.13 3cpw s MET 130 Cb 0.07 -1.49 0.10 0.00 2.01 0.00 0.00 34.83 35.52 3cpw s MET 130 CO 0.62 0.23 0.06 0.42 -0.01 0.00 0.00 175.02 176.35 3cpw s ILE 131 N 0.05 1.52 -2.48 2.53 1.01 -1.26 -1.61 121.20 120.97 3cpw s ILE 131 Ca -0.04 -1.78 0.28 0.00 0.00 0.00 0.00 60.65 59.12 3cpw s ILE 131 Cb -0.11 -2.10 0.57 0.00 0.01 0.00 0.00 42.46 40.82 3cpw s ILE 131 CO 0.02 -0.59 1.77 0.52 0.00 0.00 0.00 174.94 176.66