#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gbw s VAL 2 N 0.00 3.46 0.61 3.15 1.01 -1.26 -0.90 120.40 126.47 1gbw s VAL 2 Ca 0.00 -1.27 -0.17 0.00 0.00 0.00 0.00 61.98 60.54 1gbw s VAL 2 Cb 0.00 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 1gbw s VAL 2 CO 0.00 -0.18 1.12 -0.36 0.00 0.00 0.00 175.10 175.69 1gbw s PHE 3 N 1.33 2.62 0.22 5.22 0.08 -0.04 -4.99 117.98 122.42 1gbw s PHE 3 Ca -0.03 1.55 -0.03 0.00 0.12 0.00 0.00 56.93 58.54 1gbw s PHE 3 Cb -0.20 -3.24 -0.05 0.00 -0.57 0.00 0.00 43.02 38.97 1gbw s PHE 3 CO 0.01 -1.69 0.45 -1.21 -0.10 0.00 0.00 175.22 172.69 1gbw s GLU 4 N -3.73 3.59 0.00 0.44 2.02 -1.26 -4.85 118.70 114.91 1gbw s GLU 4 Ca 0.70 -0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.55 1gbw s GLU 4 Cb -0.22 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.24 1gbw s GLU 4 CO 0.35 0.34 0.97 -2.13 0.02 0.00 0.00 175.26 174.82 1gbw n ARG 5 N -0.60 0.00 0.25 1.61 0.63 -1.26 -1.35 116.66 115.95 1gbw n ARG 5 Ca -0.03 0.87 0.08 0.00 -0.92 0.00 0.00 57.85 57.85 1gbw n ARG 5 Cb 0.53 -1.47 0.63 0.00 0.45 0.00 0.00 32.46 32.61 1gbw n ARG 5 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1gbw h GLU 7 N 0.00 0.50 -0.43 0.00 4.81 -1.88 -2.18 114.58 115.40 1gbw h GLU 7 Ca -0.00 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.03 1gbw h GLU 7 Cb 0.12 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1gbw h GLU 7 CO 0.01 0.57 -0.03 1.25 -0.73 0.00 0.00 179.01 180.07 1gbw h LEU 8 N 0.34 0.78 -0.45 1.64 5.85 -0.12 -1.48 115.31 121.87 1gbw h LEU 8 Ca 0.10 -0.33 0.08 0.00 0.84 0.00 0.00 57.88 58.57 1gbw h LEU 8 Cb 0.30 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 1gbw h LEU 8 CO 0.00 0.92 0.04 0.00 -0.34 0.00 0.00 178.44 179.06 1gbw h ALA 9 N 0.89 0.45 -0.50 1.25 0.00 -1.00 0.26 119.26 120.61 1gbw h ALA 9 Ca 0.12 0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1gbw h ALA 9 Cb 0.54 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1gbw h ALA 9 CO 0.03 -0.36 -0.19 0.00 0.00 0.00 0.00 179.25 178.73 1gbw h ARG 10 N 0.16 0.99 -0.85 0.00 3.08 -1.35 -1.03 114.38 115.38 1gbw h ARG 10 Ca 0.22 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1gbw h ARG 10 Cb 0.31 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 1gbw h ARG 10 CO -0.34 1.08 0.55 1.15 -1.07 0.00 0.00 179.97 181.35 1gbw h THR 11 N 0.86 1.22 -0.36 2.04 2.02 -0.31 0.30 112.91 118.69 1gbw h THR 11 Ca 0.12 -0.43 -0.14 0.00 0.77 0.00 0.00 66.41 66.73 1gbw h THR 11 Cb 0.76 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1gbw h THR 11 CO 0.06 0.22 -0.32 -0.07 0.37 0.00 0.00 175.52 175.78 1gbw h LEU 12 N 1.16 0.91 -0.54 2.58 3.38 -0.32 -2.68 115.31 119.80 1gbw h LEU 12 Ca 0.31 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1gbw h LEU 12 Cb -0.11 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.36 1gbw h LEU 12 CO -0.06 1.18 0.28 0.50 0.09 0.00 0.00 178.44 180.42 1gbw h LYS 13 N 0.65 0.76 -0.04 1.13 3.64 -0.79 -1.93 116.57 119.99 1gbw h LYS 13 Ca 0.06 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1gbw h LYS 13 Cb 0.91 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1gbw h LYS 13 CO 0.08 0.61 -0.06 0.00 -2.27 0.00 0.00 179.45 177.81 1gbw h ARG 14 N 0.72 0.05 -0.06 1.90 3.08 -0.89 -1.68 114.38 117.51 1gbw h ARG 14 Ca 0.19 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1gbw h ARG 14 Cb 0.08 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1gbw h ARG 14 CO -0.03 0.12 0.00 1.28 -1.07 0.00 0.00 179.97 180.27 1gbw n LEU 15 N -4.44 0.51 0.00 3.04 4.77 -0.77 -4.91 117.00 115.20 1gbw n LEU 15 Ca -0.02 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1gbw n LEU 15 Cb 0.16 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1gbw n LEU 15 CO 0.35 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1gbw n GLY 16 N 0.85 0.53 0.15 -0.72 0.00 -0.63 -4.99 105.19 100.38 1gbw n GLY 16 Ca 0.13 -0.86 0.09 0.00 0.00 0.00 0.00 46.02 45.38 1gbw n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gbw h MET 17 N 0.00 0.00 -5.85 1.61 2.86 -1.61 -3.39 114.93 108.55 1gbw h MET 17 Ca 0.00 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.15 1gbw h MET 17 Cb 0.12 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1gbw h MET 17 CO 0.00 0.10 1.47 0.34 1.06 0.00 0.00 176.91 179.88 1gbw s ASP 18 N -5.86 4.97 0.00 1.22 -1.08 -1.26 -1.89 116.67 112.77 1gbw s ASP 18 Ca 0.02 0.72 0.00 0.00 -0.52 0.00 0.00 52.55 52.78 1gbw s ASP 18 Cb 0.08 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 1gbw s ASP 18 CO 0.74 -2.54 0.00 0.61 0.52 0.00 0.00 175.17 174.51 1gbw n GLY 19 N 5.81 0.72 3.68 2.66 0.00 0.13 -4.92 105.19 113.27 1gbw n GLY 19 Ca 0.27 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.83 1gbw n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1gbw n TYR 20 N -2.45 2.40 -4.10 1.61 9.36 -0.79 -0.15 117.16 123.03 1gbw n TYR 20 Ca 0.00 -0.08 -0.33 0.00 3.32 0.00 0.00 57.90 60.81 1gbw n TYR 20 Cb 0.00 -2.69 -0.01 0.00 -0.63 0.00 0.00 39.34 36.01 1gbw n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1gbw n ARG 21 N 6.42 -3.89 -0.94 2.98 3.00 -1.26 -1.23 116.66 121.74 1gbw n ARG 21 Ca 0.21 0.44 0.00 0.00 -0.01 0.00 0.00 57.85 58.49 1gbw n ARG 21 Cb 0.33 -5.16 0.00 0.00 0.00 0.00 0.00 32.46 27.63 1gbw n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1gbw n GLY 22 N -1.54 0.51 3.61 -0.13 0.00 0.79 -5.01 105.19 103.42 1gbw n GLY 22 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1gbw n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gbw s ILE 23 N -2.32 5.15 0.89 -0.61 1.01 -0.36 -4.87 121.20 120.09 1gbw s ILE 23 Ca 0.00 0.67 -0.11 0.00 0.00 0.00 0.00 60.65 61.21 1gbw s ILE 23 Cb 0.00 -3.74 0.13 0.00 0.01 0.00 0.00 42.46 38.86 1gbw s ILE 23 CO 0.00 0.15 1.09 -0.94 0.00 0.00 0.00 174.94 175.24 1gbw s SER 24 N 1.56 3.45 0.14 3.58 1.04 -1.26 0.22 113.70 122.43 1gbw s SER 24 Ca 0.17 1.70 -0.14 0.00 0.48 0.00 0.00 55.95 58.16 1gbw s SER 24 Cb -0.16 -2.34 0.01 0.00 0.10 0.00 0.00 66.02 63.63 1gbw s SER 24 CO 0.09 -2.69 1.62 0.25 0.98 0.00 0.00 173.24 173.50 1gbw h LEU 25 N -1.58 0.74 -1.56 2.42 5.85 -1.91 -2.57 115.31 116.69 1gbw h LEU 25 Ca -0.48 -0.26 0.10 0.00 0.84 0.00 0.00 57.88 58.08 1gbw h LEU 25 Cb 1.27 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 1gbw h LEU 25 CO 0.51 0.81 0.44 0.00 -0.34 0.00 0.00 178.44 179.86 1gbw h ALA 26 N 0.95 1.96 -0.25 1.25 0.00 -1.92 0.18 119.26 121.43 1gbw h ALA 26 Ca 0.14 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1gbw h ALA 26 Cb 0.39 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1gbw h ALA 26 CO 0.01 -0.10 -0.25 -0.91 0.00 0.00 0.00 179.25 178.00 1gbw h ASN 27 N 0.49 0.65 -0.26 0.00 2.35 -1.78 -1.35 115.58 115.68 1gbw h ASN 27 Ca 0.30 -0.47 -0.07 0.00 -0.55 0.00 0.00 56.30 55.52 1gbw h ASN 27 Cb 0.54 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1gbw h ASN 27 CO -0.09 0.99 -0.04 -0.50 -1.65 0.00 0.00 177.43 176.13 1gbw h TRP 28 N 0.33 0.65 -0.34 1.19 4.06 -0.99 -0.97 115.95 119.87 1gbw h TRP 28 Ca 0.04 -0.09 -0.14 0.00 2.06 0.00 0.00 58.89 60.77 1gbw h TRP 28 Cb 0.80 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 28.77 1gbw h TRP 28 CO 0.07 0.65 -0.34 0.52 -3.56 0.00 0.00 178.44 175.79 1gbw h MET 29 N 0.58 0.77 -0.50 0.49 2.86 -0.91 -1.18 114.93 117.03 1gbw h MET 29 Ca 0.11 -0.37 -0.12 0.00 -2.06 0.00 0.00 59.70 57.26 1gbw h MET 29 Cb 0.43 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1gbw h MET 29 CO 0.02 0.99 -0.15 0.00 1.06 0.00 0.00 176.91 178.83 1gbw h LEU 31 N 0.86 -0.75 -1.45 0.00 5.85 -1.00 -1.63 115.31 117.19 1gbw h LEU 31 Ca 0.12 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1gbw h LEU 31 Cb 0.72 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1gbw h LEU 31 CO 0.06 -0.51 0.38 0.00 -0.34 0.00 0.00 178.44 178.03 1gbw h ALA 32 N -0.60 1.63 0.54 1.25 0.00 -1.24 0.75 119.26 121.59 1gbw h ALA 32 Ca -0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1gbw h ALA 32 Cb 0.69 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1gbw h ALA 32 CO 0.15 0.33 -0.26 -0.22 0.00 0.00 0.00 179.25 179.25 1gbw h LYS 33 N 0.75 -0.70 0.00 0.00 1.63 -1.05 -1.98 116.57 115.22 1gbw h LYS 33 Ca 0.22 0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 60.02 1gbw h LYS 33 Cb -0.03 0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 1gbw h LYS 33 CO -0.05 -0.43 -0.24 -1.49 -3.45 0.00 0.00 179.45 173.79 1gbw h TRP 34 N -0.82 0.00 0.09 1.91 4.06 -1.08 0.31 115.95 120.42 1gbw h TRP 34 Ca -0.07 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.67 1gbw h TRP 34 Cb 0.59 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.77 1gbw h TRP 34 CO -0.02 0.24 -0.85 0.93 -3.56 0.00 0.00 178.44 175.18 1gbw h GLU 35 N 0.00 0.41 0.00 0.49 4.39 -0.84 -3.42 114.58 115.61 1gbw h GLU 35 Ca -0.00 -0.57 0.00 0.00 0.34 0.00 0.00 59.36 59.13 1gbw h GLU 35 Cb 0.92 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1gbw h GLU 35 CO 0.03 1.23 0.00 -1.13 -1.16 0.00 0.00 179.01 177.98 1gbw n SER 36 N -4.08 0.05 -1.63 1.42 3.41 -0.78 -4.84 113.62 107.17 1gbw n SER 36 Ca -0.13 -0.69 -0.13 0.00 -0.26 0.00 0.00 58.87 57.66 1gbw n SER 36 Cb 0.81 0.03 0.01 0.00 -0.26 0.00 0.00 64.21 64.80 1gbw n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gbw n GLY 37 N 0.03 -0.10 2.33 5.00 0.00 0.10 -2.45 105.19 110.10 1gbw n GLY 37 Ca 0.00 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 1gbw n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gbw n TYR 38 N -4.01 -0.58 -3.58 1.61 0.53 -1.08 -4.77 117.16 105.29 1gbw n TYR 38 Ca -0.11 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.37 1gbw n TYR 38 Cb 0.59 -3.13 -0.11 0.00 -1.03 0.00 0.00 39.34 35.67 1gbw n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1gbw s ASN 39 N -2.41 5.83 0.58 7.72 2.47 -1.02 -0.86 114.94 127.24 1gbw s ASN 39 Ca 0.00 -0.58 0.36 0.00 0.42 0.00 0.00 52.86 53.06 1gbw s ASN 39 Cb 0.00 -2.07 1.67 0.00 -1.45 0.00 0.00 41.25 39.40 1gbw s ASN 39 CO 0.00 -0.26 2.10 0.71 -3.72 0.00 0.00 177.10 175.93 1gbw h THR 40 N 5.62 0.10 -0.30 -5.21 1.35 -1.34 -2.81 112.91 110.32 1gbw h THR 40 Ca -0.30 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1gbw h THR 40 Cb 1.14 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 1gbw h THR 40 CO 0.64 0.03 0.00 0.54 -0.25 0.00 0.00 175.52 176.48 1gbw n ARG 41 N -3.17 2.24 -1.76 4.72 1.74 -1.26 -4.00 116.66 115.16 1gbw n ARG 41 Ca -0.01 -1.87 -0.41 0.00 -0.77 0.00 0.00 57.85 54.79 1gbw n ARG 41 Cb 0.23 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 1gbw n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gbw n ALA 42 N 1.10 2.19 -3.30 7.54 0.00 -1.07 -4.80 120.51 122.17 1gbw n ALA 42 Ca 0.18 0.32 -0.14 0.00 0.00 0.00 0.00 53.44 53.80 1gbw n ALA 42 Cb 0.51 -2.40 -0.08 0.00 0.00 0.00 0.00 19.45 17.48 1gbw n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1gbw s THR 43 N -1.14 0.04 -0.12 0.00 -4.23 -1.26 -1.21 115.64 107.72 1gbw s THR 43 Ca 0.56 -0.29 -0.04 0.00 -1.18 0.00 0.00 61.69 60.73 1gbw s THR 43 Cb -0.48 -0.67 0.06 0.00 1.34 0.00 0.00 72.50 72.75 1gbw s THR 43 CO 0.62 -0.16 0.24 0.21 -0.54 0.00 0.00 174.62 174.99 1gbw s ASN 44 N -0.96 0.44 0.01 3.99 3.84 -0.81 -4.96 114.94 116.49 1gbw s ASN 44 Ca -0.10 0.53 -0.20 0.00 0.21 0.00 0.00 52.86 53.30 1gbw s ASN 44 Cb -0.04 0.60 -0.06 0.00 -0.55 0.00 0.00 41.25 41.20 1gbw s ASN 44 CO 0.04 -0.24 0.59 -0.47 -2.79 0.00 0.00 177.10 174.23 1gbw s TYR 45 N 2.38 3.71 -0.55 0.43 6.04 -1.26 -0.38 117.35 127.71 1gbw s TYR 45 Ca 0.02 1.21 -0.07 0.00 0.04 0.00 0.00 57.07 58.27 1gbw s TYR 45 Cb -0.12 -2.58 0.14 0.00 -1.04 0.00 0.00 41.96 38.36 1gbw s TYR 45 CO -0.08 0.40 0.40 -0.80 -1.54 0.00 0.00 175.55 173.93 1gbw s ASN 46 N -0.38 5.61 0.40 4.32 0.01 0.24 -4.96 114.94 120.18 1gbw s ASN 46 Ca 0.30 -2.30 0.09 0.00 -0.71 0.00 0.00 52.86 50.24 1gbw s ASN 46 Cb -0.18 -1.95 0.88 0.00 0.41 0.00 0.00 41.25 40.40 1gbw s ASN 46 CO 0.17 -0.56 1.98 0.00 -1.51 0.00 0.00 177.10 177.18 1gbw h ALA 47 N 7.88 1.84 -0.89 0.60 0.00 -1.96 0.79 119.26 127.52 1gbw h ALA 47 Ca -0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1gbw h ALA 47 Cb 1.03 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1gbw h ALA 47 CO 0.78 0.05 0.50 0.78 0.00 0.00 0.00 179.25 181.36 1gbw h GLY 48 N 0.59 1.31 0.00 0.00 0.00 -1.95 -3.26 103.07 99.75 1gbw h GLY 48 Ca 0.28 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1gbw h GLY 48 CO -0.09 0.55 0.00 2.09 0.00 0.00 0.00 176.54 179.10 1gbw n ASP 49 N -4.34 1.48 -2.30 0.19 5.75 -1.11 -5.02 116.55 111.21 1gbw n ASP 49 Ca 0.10 -1.56 -0.18 0.00 -0.01 0.00 0.00 54.79 53.13 1gbw n ASP 49 Cb 0.08 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.19 1gbw n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gbw n ARG 50 N -0.28 -3.06 -4.07 0.11 1.74 0.25 -4.77 116.66 106.59 1gbw n ARG 50 Ca 0.00 0.78 -0.25 0.00 -0.77 0.00 0.00 57.85 57.61 1gbw n ARG 50 Cb 0.17 -5.27 -0.06 0.00 -1.02 0.00 0.00 32.46 26.28 1gbw n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1gbw s SER 51 N -2.57 4.50 0.02 0.55 1.04 -1.13 -4.44 113.70 111.67 1gbw s SER 51 Ca 0.16 -1.08 0.01 0.00 0.48 0.00 0.00 55.95 55.51 1gbw s SER 51 Cb -0.07 -0.37 -0.01 0.00 0.10 0.00 0.00 66.02 65.66 1gbw s SER 51 CO 0.20 -0.62 -0.03 -0.89 0.98 0.00 0.00 173.24 172.87 1gbw s THR 52 N -2.61 0.20 -0.18 2.02 2.01 -1.26 -0.59 115.64 115.23 1gbw s THR 52 Ca 0.40 -0.63 -0.09 0.00 0.31 0.00 0.00 61.69 61.68 1gbw s THR 52 Cb 0.02 -0.28 -0.05 0.00 0.01 0.00 0.00 72.50 72.21 1gbw s THR 52 CO 0.22 -0.28 0.12 -1.81 -0.69 0.00 0.00 174.62 172.18 1gbw s ASP 53 N -0.95 6.12 -0.01 3.53 1.01 0.49 -0.88 116.67 125.96 1gbw s ASP 53 Ca -0.09 0.23 0.08 0.00 0.71 0.00 0.00 52.55 53.49 1gbw s ASP 53 Cb -0.07 -2.06 -0.02 0.00 1.01 0.00 0.00 42.92 41.79 1gbw s ASP 53 CO -0.00 0.21 -0.24 -0.31 0.21 0.00 0.00 175.17 175.03 1gbw s TYR 54 N 0.16 2.19 0.00 4.23 2.02 0.20 -1.93 117.35 124.21 1gbw s TYR 54 Ca 0.08 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.37 1gbw s TYR 54 Cb -0.11 -1.40 0.00 0.00 -0.40 0.00 0.00 41.96 40.04 1gbw s TYR 54 CO -0.01 -0.03 0.00 0.41 -1.57 0.00 0.00 175.55 174.36 1gbw n GLY 55 N 2.43 -1.84 0.27 0.71 0.00 -0.35 -1.15 105.19 105.26 1gbw n GLY 55 Ca -0.16 -1.34 0.11 0.00 0.00 0.00 0.00 46.02 44.62 1gbw n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gbw h ILE 56 N 0.00 0.79 -0.09 -0.61 2.10 -1.67 -1.75 117.51 116.28 1gbw h ILE 56 Ca 0.00 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.73 1gbw h ILE 56 Cb 0.00 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 36.85 1gbw h ILE 56 CO 0.00 0.06 0.00 0.49 -1.08 0.00 0.00 178.15 177.62 1gbw n PHE 57 N -4.11 0.09 -3.65 2.19 0.99 -1.26 -4.05 117.46 107.66 1gbw n PHE 57 Ca -0.03 -0.06 -0.29 0.00 -0.00 0.00 0.00 57.45 57.07 1gbw n PHE 57 Cb 0.14 -0.00 0.04 0.00 -1.00 0.00 0.00 39.48 38.66 1gbw n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1gbw n GLN 58 N 1.04 -1.23 -2.92 -1.08 1.13 -0.66 -4.92 117.38 108.74 1gbw n GLN 58 Ca 0.12 0.55 -0.40 0.00 -1.94 0.00 0.00 57.00 55.33 1gbw n GLN 58 Cb 0.47 -4.08 -0.05 0.00 0.11 0.00 0.00 30.24 26.69 1gbw n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gbw s ILE 59 N -3.39 4.74 0.22 5.09 1.01 -0.30 -4.48 121.20 124.08 1gbw s ILE 59 Ca 0.41 1.73 -0.30 0.00 0.00 0.00 0.00 60.65 62.48 1gbw s ILE 59 Cb -0.15 -4.16 -0.08 0.00 0.01 0.00 0.00 42.46 38.08 1gbw s ILE 59 CO 0.86 0.33 0.96 0.21 0.00 0.00 0.00 174.94 177.29 1gbw s ASN 60 N 0.14 7.58 0.49 3.58 3.84 -1.26 -0.63 114.94 128.69 1gbw s ASN 60 Ca 0.41 1.95 0.32 0.00 0.21 0.00 0.00 52.86 55.75 1gbw s ASN 60 Cb -0.21 -2.61 1.36 0.00 -0.55 0.00 0.00 41.25 39.24 1gbw s ASN 60 CO 0.24 0.08 1.95 0.77 -2.79 0.00 0.00 177.10 177.35 1gbw h SER 61 N 4.44 0.00 -0.51 -4.21 4.64 -1.26 -2.59 113.55 114.06 1gbw h SER 61 Ca -0.45 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.80 1gbw h SER 61 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1gbw h SER 61 CO 0.69 0.00 0.05 -0.09 -0.87 0.00 0.00 176.83 176.61 1gbw h ARG 62 N 0.00 0.91 0.00 4.77 2.43 -1.84 -3.40 114.38 117.26 1gbw h ARG 62 Ca 0.00 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1gbw h ARG 62 Cb 0.44 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1gbw h ARG 62 CO 0.00 0.87 -0.84 0.66 -1.51 0.00 0.00 179.97 179.15 1gbw n TYR 63 N -4.22 0.00 -0.11 2.20 4.01 -1.21 0.34 117.16 118.17 1gbw n TYR 63 Ca 0.03 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.64 1gbw n TYR 63 Cb 0.29 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.18 1gbw n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1gbw n TRP 64 N -1.62 0.00 -4.14 -0.72 7.02 -0.98 -0.20 117.44 116.80 1gbw n TRP 64 Ca 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.38 1gbw n TRP 64 Cb 0.31 -0.98 -0.10 0.00 -2.42 0.00 0.00 31.31 28.11 1gbw n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gbw s ASN 66 N -2.84 5.62 0.00 0.00 2.47 -0.51 -4.58 114.94 115.10 1gbw s ASN 66 Ca 0.08 0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.42 1gbw s ASN 66 Cb 0.04 -1.97 0.00 0.00 -1.45 0.00 0.00 41.25 37.87 1gbw s ASN 66 CO -0.05 0.14 0.75 -0.90 -3.72 0.00 0.00 177.10 173.32 1gbw n ASP 67 N 3.74 1.44 0.00 -4.21 5.68 -1.26 -1.06 116.55 120.87 1gbw n ASP 67 Ca -0.16 -1.53 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 1gbw n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1gbw n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gbw n GLY 68 N -0.26 0.51 0.36 6.12 0.00 -1.26 -4.75 105.19 105.91 1gbw n GLY 68 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1gbw n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1gbw n LYS 69 N -2.00 2.79 -3.88 1.61 2.85 -1.26 -4.97 118.16 113.29 1gbw n LYS 69 Ca 0.00 -1.96 -0.36 0.00 -1.05 0.00 0.00 58.31 54.94 1gbw n LYS 69 Cb 0.00 -1.24 -0.12 0.00 -0.65 0.00 0.00 35.03 33.02 1gbw n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1gbw s THR 70 N -1.35 4.27 0.13 0.58 2.01 -1.26 -4.94 115.64 115.08 1gbw s THR 70 Ca 0.17 -0.19 -0.34 0.00 0.31 0.00 0.00 61.69 61.64 1gbw s THR 70 Cb 0.11 -2.97 -0.14 0.00 0.01 0.00 0.00 72.50 69.51 1gbw s THR 70 CO 0.08 0.38 1.61 -2.65 -0.69 0.00 0.00 174.62 173.35 1gbw n PRO 71 N 4.56 2.14 -2.44 4.92 -0.02 -1.26 -2.92 135.00 139.99 1gbw n PRO 71 Ca -0.16 0.77 -0.08 0.00 -2.02 0.00 0.00 63.50 62.01 1gbw n PRO 71 Cb 0.52 -2.55 -0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1gbw n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gbw n GLY 72 N 3.52 -0.47 3.86 -1.23 0.00 -1.26 -4.93 105.19 104.68 1gbw n GLY 72 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1gbw n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gbw s ALA 73 N -2.39 3.07 0.53 4.61 0.00 -1.15 -5.03 121.76 121.40 1gbw s ALA 73 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.00 1gbw s ALA 73 Cb 0.00 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 20.03 1gbw s ALA 73 CO 0.00 -0.56 0.17 0.14 0.00 0.00 0.00 175.76 175.51 1gbw s VAL 74 N -2.99 1.35 -0.41 0.00 -7.23 0.15 -4.99 120.40 106.29 1gbw s VAL 74 Ca 0.56 -1.79 0.06 0.00 -1.81 0.00 0.00 61.98 59.00 1gbw s VAL 74 Cb -0.11 -2.14 0.21 0.00 0.56 0.00 0.00 36.38 34.90 1gbw s VAL 74 CO 0.46 0.00 0.43 -3.20 -0.31 0.00 0.00 175.10 172.49 1gbw n ASN 75 N -1.48 -0.06 0.22 4.85 5.15 -1.21 -3.89 115.26 118.84 1gbw n ASN 75 Ca -0.12 -2.55 0.05 0.00 -0.60 0.00 0.00 54.58 51.36 1gbw n ASN 75 Cb 0.66 -0.60 0.49 0.00 -0.53 0.00 0.00 39.78 39.80 1gbw n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gbw h ALA 76 N 4.86 1.57 -0.01 5.20 0.00 -0.54 -1.81 119.26 128.54 1gbw h ALA 76 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1gbw h ALA 76 Cb 0.89 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1gbw h ALA 76 CO 0.42 0.28 -0.14 0.00 0.00 0.00 0.00 179.25 179.82 1gbw n HIS 78 N -0.46 -1.80 -4.08 0.00 -0.00 -0.68 -4.95 115.22 103.25 1gbw n HIS 78 Ca 0.15 0.67 -0.10 0.00 -0.00 0.00 0.00 57.72 58.44 1gbw n HIS 78 Cb 0.33 -3.79 -0.11 0.00 -0.00 0.00 0.00 29.99 26.42 1gbw n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1gbw s LEU 79 N -6.71 2.39 0.29 2.41 1.43 -1.26 -5.07 118.68 112.16 1gbw s LEU 79 Ca 0.17 -0.79 -0.28 0.00 -1.03 0.00 0.00 54.13 52.19 1gbw s LEU 79 Cb -0.06 0.02 -0.09 0.00 0.03 0.00 0.00 46.19 46.09 1gbw s LEU 79 CO 0.86 -0.41 1.00 -0.55 0.23 0.00 0.00 176.35 177.48 1gbw s SER 80 N -2.34 7.34 0.62 2.29 0.15 -1.26 -1.42 113.70 119.08 1gbw s SER 80 Ca -0.00 2.02 0.36 0.00 0.70 0.00 0.00 55.95 59.03 1gbw s SER 80 Cb -0.01 -2.60 2.07 0.00 -1.71 0.00 0.00 66.02 63.77 1gbw s SER 80 CO -0.04 -0.07 2.30 0.00 1.20 0.00 0.00 173.24 176.62 1gbw h SER 82 N 0.00 0.22 0.20 0.00 0.87 -1.90 -0.87 113.55 112.07 1gbw h SER 82 Ca -0.00 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1gbw h SER 82 Cb 0.03 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1gbw h SER 82 CO 0.00 0.19 -0.02 0.00 -0.53 0.00 0.00 176.83 176.47 1gbw h ALA 83 N 1.85 1.15 -0.38 6.23 0.00 -1.35 0.11 119.26 126.87 1gbw h ALA 83 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1gbw h ALA 83 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1gbw h ALA 83 CO -0.01 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1gbw n LEU 84 N -3.33 2.10 -0.05 0.00 4.77 -0.33 -3.71 117.00 116.44 1gbw n LEU 84 Ca -0.02 -1.03 0.03 0.00 -0.03 0.00 0.00 56.01 54.95 1gbw n LEU 84 Cb 0.13 -0.25 0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1gbw n LEU 84 CO 0.24 0.52 0.52 0.18 -1.33 0.00 0.00 177.39 177.52 1gbw n LEU 85 N 0.64 2.14 -4.87 2.23 4.77 0.02 -2.95 117.00 118.99 1gbw n LEU 85 Ca 0.14 -2.29 -0.30 0.00 -0.03 0.00 0.00 56.01 53.53 1gbw n LEU 85 Cb 0.34 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1gbw n LEU 85 CO 0.09 0.56 0.60 -1.10 -1.33 0.00 0.00 177.39 176.22 1gbw s GLN 86 N -1.49 3.72 0.18 3.23 -0.21 -1.24 -4.65 119.66 119.19 1gbw s GLN 86 Ca 0.09 0.65 -0.06 0.00 0.02 0.00 0.00 55.36 56.05 1gbw s GLN 86 Cb 0.08 -2.21 0.09 0.00 1.00 0.00 0.00 33.01 31.97 1gbw s GLN 86 CO 0.01 -0.32 1.55 -0.44 -2.12 0.00 0.00 175.29 173.98 1gbw h ASP 87 N 0.43 0.84 -3.13 5.90 5.19 -1.94 -3.41 116.42 120.30 1gbw h ASP 87 Ca -0.46 -0.36 -0.55 0.00 -0.62 0.00 0.00 57.03 55.04 1gbw h ASP 87 Cb 1.19 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.44 1gbw h ASP 87 CO 0.62 1.10 0.66 0.21 -3.12 0.00 0.00 179.24 178.71 1gbw s ASN 88 N -6.81 7.09 0.00 6.45 3.84 -1.26 -4.90 114.94 119.35 1gbw s ASN 88 Ca -0.10 1.77 0.19 0.00 0.21 0.00 0.00 52.86 54.94 1gbw s ASN 88 Cb 0.12 -2.56 0.54 0.00 -0.55 0.00 0.00 41.25 38.80 1gbw s ASN 88 CO 0.85 -0.55 1.44 2.30 -2.79 0.00 0.00 177.10 178.36 1gbw n ILE 89 N 4.56 0.48 -0.08 -5.21 -5.35 -1.26 -4.55 119.36 107.93 1gbw n ILE 89 Ca 0.10 -0.59 -0.07 0.00 -0.27 0.00 0.00 62.75 61.93 1gbw n ILE 89 Cb 0.47 0.53 -0.00 0.00 -1.74 0.00 0.00 39.64 38.90 1gbw n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gbw h ALA 90 N 4.14 0.01 -0.58 -1.28 0.00 -1.95 0.62 119.26 120.22 1gbw h ALA 90 Ca 0.00 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1gbw h ALA 90 Cb 0.70 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1gbw h ALA 90 CO 0.00 -0.60 0.16 -0.44 0.00 0.00 0.00 179.25 178.38 1gbw h ASP 91 N -0.16 0.82 -0.05 0.00 3.45 -1.86 -1.09 116.42 117.52 1gbw h ASP 91 Ca 0.17 -0.14 -0.09 0.00 0.43 0.00 0.00 57.03 57.39 1gbw h ASP 91 Cb 0.42 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.96 1gbw h ASP 91 CO -0.42 0.79 -0.24 0.00 -1.57 0.00 0.00 179.24 177.80 1gbw h ALA 92 N 1.32 1.12 -0.32 3.45 0.00 -1.56 -1.37 119.26 121.90 1gbw h ALA 92 Ca 0.19 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1gbw h ALA 92 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1gbw h ALA 92 CO -0.01 0.55 -0.29 0.28 0.00 0.00 0.00 179.25 179.78 1gbw h VAL 93 N 0.42 1.29 -0.71 0.00 2.07 -0.38 0.10 116.25 119.04 1gbw h VAL 93 Ca 0.06 -1.46 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 1gbw h VAL 93 Cb 0.65 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1gbw h VAL 93 CO 0.05 0.47 0.23 0.00 0.02 0.00 0.00 177.57 178.34 1gbw h ALA 94 N 0.73 1.06 -0.30 1.67 0.00 -1.00 -0.63 119.26 120.80 1gbw h ALA 94 Ca 0.06 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 1gbw h ALA 94 Cb 0.87 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1gbw h ALA 94 CO 0.07 0.64 -0.49 0.00 0.00 0.00 0.00 179.25 179.48 1gbw h ALA 96 N 0.81 1.32 -0.47 0.00 0.00 -0.40 -0.46 119.26 120.05 1gbw h ALA 96 Ca 0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1gbw h ALA 96 Cb 1.07 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1gbw h ALA 96 CO 0.11 0.57 0.06 0.87 0.00 0.00 0.00 179.25 180.86 1gbw h LYS 97 N 1.10 0.80 -0.69 0.00 1.57 -0.93 -2.07 116.57 116.35 1gbw h LYS 97 Ca 0.28 -0.23 0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1gbw h LYS 97 Cb -0.02 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 1gbw h LYS 97 CO -0.05 0.82 0.41 -0.09 -0.57 0.00 0.00 179.45 179.97 1gbw h ARG 98 N 0.66 0.76 -0.15 3.15 9.65 -0.46 -1.96 114.38 126.04 1gbw h ARG 98 Ca 0.14 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1gbw h ARG 98 Cb 0.42 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 1gbw h ARG 98 CO 0.01 0.51 0.09 0.28 2.80 0.00 0.00 179.97 183.66 1gbw h VAL 99 N 0.79 1.07 0.00 0.20 2.07 -0.77 -2.68 116.25 116.92 1gbw h VAL 99 Ca 0.30 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1gbw h VAL 99 Cb 0.11 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1gbw h VAL 99 CO -0.14 0.06 0.00 1.33 0.02 0.00 0.00 177.57 178.84 1gbw n VAL 100 N -4.96 0.77 0.56 2.57 0.24 -0.81 -2.11 118.33 114.59 1gbw n VAL 100 Ca -0.04 0.19 0.11 0.00 -2.04 0.00 0.00 64.34 62.56 1gbw n VAL 100 Cb 0.05 -0.89 0.45 0.00 -1.47 0.00 0.00 33.84 31.97 1gbw n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1gbw n ARG 101 N -1.48 0.13 -1.73 7.34 1.74 -0.77 -4.11 116.66 117.79 1gbw n ARG 101 Ca 0.05 0.28 -0.31 0.00 -0.77 0.00 0.00 57.85 57.10 1gbw n ARG 101 Cb 0.20 -1.71 0.05 0.00 -1.02 0.00 0.00 32.46 29.97 1gbw n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1gbw s ASP 102 N -3.83 5.48 0.27 0.55 -0.00 -0.89 -4.96 116.67 113.29 1gbw s ASP 102 Ca 0.08 1.39 -0.00 0.00 -0.00 0.00 0.00 52.55 54.01 1gbw s ASP 102 Cb 0.11 -2.27 0.63 0.00 -0.00 0.00 0.00 42.92 41.39 1gbw s ASP 102 CO 0.43 -1.35 1.66 1.55 -0.00 0.00 0.00 175.17 177.45 1gbw h PRO 103 N -0.66 0.22 0.00 8.23 0.13 -1.88 -1.37 132.00 136.68 1gbw h PRO 103 Ca -0.45 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1gbw h PRO 103 Cb 1.23 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1gbw h PRO 103 CO 0.60 0.15 -0.08 1.96 -0.23 0.00 0.00 178.00 180.40 1gbw h GLN 104 N 0.23 0.00 0.00 0.86 4.20 -1.90 -3.48 115.11 115.02 1gbw h GLN 104 Ca 0.51 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.22 1gbw h GLN 104 Cb 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1gbw h GLN 104 CO -0.61 0.08 0.00 0.41 -0.67 0.00 0.00 178.83 178.04 1gbw n GLY 105 N -1.16 1.55 0.37 3.46 0.00 -0.52 -2.51 105.19 106.37 1gbw n GLY 105 Ca -0.03 -0.60 0.19 0.00 0.00 0.00 0.00 46.02 45.59 1gbw n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gbw h ILE 106 N 0.00 0.58 0.00 -0.61 6.09 -1.91 -1.50 117.51 120.16 1gbw h ILE 106 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1gbw h ILE 106 Cb 0.00 0.74 0.00 0.00 0.47 0.00 0.00 36.82 38.03 1gbw h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1gbw n ARG 107 N -4.06 0.01 0.03 2.19 1.74 -1.05 -2.39 116.66 113.14 1gbw n ARG 107 Ca 0.07 0.38 0.08 0.00 -0.77 0.00 0.00 57.85 57.60 1gbw n ARG 107 Cb 0.53 -1.50 0.51 0.00 -1.02 0.00 0.00 32.46 30.97 1gbw n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gbw h ALA 108 N 2.04 1.90 -2.17 7.54 0.00 -1.43 -3.37 119.26 123.77 1gbw h ALA 108 Ca 0.00 -0.02 -0.65 0.00 0.00 0.00 0.00 54.91 54.25 1gbw h ALA 108 Cb 0.01 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 17.56 1gbw h ALA 108 CO 0.00 0.04 0.18 -1.58 0.00 0.00 0.00 179.25 177.89 1gbw s TRP 109 N -5.35 3.06 0.50 0.00 0.51 -1.00 -4.93 118.94 111.72 1gbw s TRP 109 Ca -0.07 0.04 0.14 0.00 -2.12 0.00 0.00 56.10 54.09 1gbw s TRP 109 Cb 0.18 -3.39 1.18 0.00 -0.81 0.00 0.00 33.47 30.63 1gbw s TRP 109 CO 0.72 -0.87 2.12 0.97 -0.51 0.00 0.00 176.95 179.39 1gbw h ILE 110 N 5.88 1.02 0.00 2.03 -0.00 -1.89 -0.10 117.51 124.45 1gbw h ILE 110 Ca -0.25 -0.04 -0.03 0.00 -0.00 0.00 0.00 64.86 64.53 1gbw h ILE 110 Cb 1.09 0.88 -0.00 0.00 -0.00 0.00 0.00 36.82 38.79 1gbw h ILE 110 CO 0.90 0.02 -0.15 0.00 -0.00 0.00 0.00 178.15 178.92 1gbw h ALA 111 N 1.93 1.73 -0.41 0.18 0.00 -1.93 0.05 119.26 120.82 1gbw h ALA 111 Ca 0.04 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1gbw h ALA 111 Cb 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1gbw h ALA 111 CO -0.01 0.19 0.03 2.35 0.00 0.00 0.00 179.25 181.81 1gbw h TRP 112 N 0.00 0.75 0.05 0.00 7.01 -1.34 0.09 115.95 122.52 1gbw h TRP 112 Ca -0.00 -0.12 0.01 0.00 2.11 0.00 0.00 58.89 60.89 1gbw h TRP 112 Cb 0.27 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 1gbw h TRP 112 CO 0.00 0.75 -0.07 0.00 -2.79 0.00 0.00 178.44 176.32 1gbw h ARG 113 N 0.54 -0.15 -0.79 2.65 3.08 -1.01 0.23 114.38 118.94 1gbw h ARG 113 Ca 0.12 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 1gbw h ARG 113 Cb 0.42 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1gbw h ARG 113 CO 0.01 -0.10 0.42 -0.91 -1.07 0.00 0.00 179.97 178.32 1gbw h ASN 114 N -0.15 0.99 0.00 7.04 2.35 -0.85 -3.32 115.58 121.64 1gbw h ASN 114 Ca 0.01 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1gbw h ASN 114 Cb 0.16 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1gbw h ASN 114 CO -0.04 0.80 0.00 0.54 -1.65 0.00 0.00 177.43 177.09 1gbw n ARG 115 N -4.34 -0.87 0.00 0.81 1.74 0.00 -4.87 116.66 109.13 1gbw n ARG 115 Ca 0.08 -0.43 0.00 0.00 -0.77 0.00 0.00 57.85 56.73 1gbw n ARG 115 Cb 0.11 -0.93 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 1gbw n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gbw n GLN 117 N -2.00 2.76 -3.68 0.00 7.27 -0.20 -2.49 117.38 119.05 1gbw n GLN 117 Ca 0.00 0.99 -0.28 0.00 0.07 0.00 0.00 57.00 57.78 1gbw n GLN 117 Cb 0.33 -2.79 0.01 0.00 2.41 0.00 0.00 30.24 30.20 1gbw n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1gbw n ASN 118 N 2.59 -4.45 -4.43 1.69 5.03 -1.26 -4.96 115.26 109.47 1gbw n ASN 118 Ca 0.10 -0.63 -0.22 0.00 0.87 0.00 0.00 54.58 54.71 1gbw n ASN 118 Cb 0.37 -3.60 -0.10 0.00 -1.02 0.00 0.00 39.78 35.43 1gbw n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1gbw s ARG 119 N -6.37 1.55 -0.76 3.52 1.81 -1.04 -5.08 118.95 112.58 1gbw s ARG 119 Ca 0.55 -1.75 -0.23 0.00 -1.72 0.00 0.00 55.73 52.59 1gbw s ARG 119 Cb -0.28 -1.35 0.07 0.00 -0.45 0.00 0.00 34.95 32.94 1gbw s ARG 119 CO 0.68 0.15 1.11 0.34 -0.68 0.00 0.00 175.30 176.91 1gbw s ASP 120 N -3.44 6.29 -0.05 0.23 -1.08 -1.26 -4.84 116.67 112.52 1gbw s ASP 120 Ca 0.28 -1.12 0.21 0.00 -0.52 0.00 0.00 52.55 51.40 1gbw s ASP 120 Cb 0.00 -2.46 0.69 0.00 -1.46 0.00 0.00 42.92 39.69 1gbw s ASP 120 CO 0.12 -1.46 1.59 1.33 0.52 0.00 0.00 175.17 177.26 1gbw n VAL 121 N 6.05 1.35 -0.20 1.11 0.24 -1.26 -4.56 118.33 121.05 1gbw n VAL 121 Ca 0.07 -1.07 -0.02 0.00 -2.04 0.00 0.00 64.34 61.28 1gbw n VAL 121 Cb 0.47 0.34 0.09 0.00 -1.47 0.00 0.00 33.84 33.27 1gbw n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1gbw h ARG 122 N 4.26 0.48 -0.37 7.34 3.08 -1.92 -2.50 114.38 124.74 1gbw h ARG 122 Ca 0.00 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.13 1gbw h ARG 122 Cb 1.19 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1gbw h ARG 122 CO 0.10 0.32 0.64 -0.56 -1.07 0.00 0.00 179.97 179.39 1gbw h GLN 123 N 0.49 0.00 -0.00 0.04 3.07 -1.98 -1.82 115.11 114.91 1gbw h GLN 123 Ca 0.28 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.89 1gbw h GLN 123 Cb 0.27 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.81 1gbw h GLN 123 CO -0.23 0.00 -0.61 1.88 0.09 0.00 0.00 178.83 179.96 1gbw h TYR 124 N 0.00 0.02 -0.03 0.06 0.05 -1.79 -3.27 116.97 112.01 1gbw h TYR 124 Ca 0.18 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.95 1gbw h TYR 124 Cb 1.45 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.19 1gbw h TYR 124 CO 0.00 0.62 0.00 1.33 -1.05 0.00 0.00 178.16 179.06 1gbw n VAL 125 N -3.82 0.05 -1.86 -2.88 0.24 -0.70 -4.78 118.33 104.57 1gbw n VAL 125 Ca -0.01 -0.52 -0.42 0.00 -2.04 0.00 0.00 64.34 61.34 1gbw n VAL 125 Cb 0.61 1.21 -0.03 0.00 -1.47 0.00 0.00 33.84 34.16 1gbw n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1gbw s GLN 126 N -0.97 4.18 -0.07 7.34 -1.52 -1.08 -2.30 119.66 125.24 1gbw s GLN 126 Ca 0.14 2.43 0.00 0.00 -1.95 0.00 0.00 55.36 55.98 1gbw s GLN 126 Cb 0.10 -3.37 0.00 0.00 -0.22 0.00 0.00 33.01 29.52 1gbw s GLN 126 CO 0.15 -0.71 0.00 0.41 -0.25 0.00 0.00 175.29 174.89 1gbw n GLY 127 N 3.95 0.41 0.63 3.09 0.00 -1.26 -4.89 105.19 107.12 1gbw n GLY 127 Ca 0.15 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1gbw n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gbw n GLY 129 N 1.23 0.93 0.72 0.00 0.00 -1.26 -4.78 105.19 102.03 1gbw n GLY 129 Ca 0.17 -0.65 0.09 0.00 0.00 0.00 0.00 46.02 45.63 1gbw n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65