#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ge4 s VAL 2 N 0.00 4.15 0.55 3.15 1.01 -1.26 -0.91 120.40 127.09 1ge4 s VAL 2 Ca 0.00 -1.25 -0.19 0.00 0.00 0.00 0.00 61.98 60.54 1ge4 s VAL 2 Cb 0.00 -3.46 -0.06 0.00 0.00 0.00 0.00 36.38 32.87 1ge4 s VAL 2 CO 0.00 -0.38 1.13 -0.36 0.00 0.00 0.00 175.10 175.49 1ge4 s PHE 3 N 1.43 2.67 0.33 5.22 0.08 -0.08 -5.00 117.98 122.64 1ge4 s PHE 3 Ca 0.02 1.54 -0.11 0.00 0.12 0.00 0.00 56.93 58.50 1ge4 s PHE 3 Cb -0.21 -3.28 -0.07 0.00 -0.57 0.00 0.00 43.02 38.88 1ge4 s PHE 3 CO 0.03 -1.58 0.70 -1.21 -0.10 0.00 0.00 175.22 173.06 1ge4 s GLU 4 N -3.34 3.85 0.04 0.44 2.02 -1.26 -4.85 118.70 115.61 1ge4 s GLU 4 Ca 0.72 0.47 -0.10 0.00 0.02 0.00 0.00 54.97 56.08 1ge4 s GLU 4 Cb -0.24 -2.47 -0.03 0.00 0.10 0.00 0.00 34.13 31.49 1ge4 s GLU 4 CO 0.28 0.12 1.17 -0.09 0.02 0.00 0.00 175.26 176.75 1ge4 h ARG 5 N 1.89 -0.08 0.00 1.61 2.43 -1.96 -1.28 114.38 116.98 1ge4 h ARG 5 Ca -0.47 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.65 1ge4 h ARG 5 Cb 1.18 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1ge4 h ARG 5 CO 0.65 -0.06 -0.24 0.00 -1.51 0.00 0.00 179.97 178.82 1ge4 h GLU 7 N 0.00 0.35 -0.62 0.00 4.81 -1.86 -1.91 114.58 115.36 1ge4 h GLU 7 Ca -0.00 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1ge4 h GLU 7 Cb 0.43 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1ge4 h GLU 7 CO 0.03 0.27 0.09 1.25 -0.73 0.00 0.00 179.01 179.92 1ge4 h LEU 8 N 0.34 1.00 -0.56 1.64 5.85 -0.68 -1.98 115.31 120.92 1ge4 h LEU 8 Ca 0.09 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1ge4 h LEU 8 Cb 0.00 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 1ge4 h LEU 8 CO -0.02 1.01 0.32 0.00 -0.34 0.00 0.00 178.44 179.42 1ge4 h ALA 9 N 1.02 0.72 -0.35 1.25 0.00 -0.97 0.96 119.26 121.89 1ge4 h ALA 9 Ca 0.19 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1ge4 h ALA 9 Cb 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ge4 h ALA 9 CO 0.01 0.02 -0.30 0.00 0.00 0.00 0.00 179.25 178.98 1ge4 h ARG 10 N 0.63 0.76 -0.50 0.00 3.08 -1.27 -1.36 114.38 115.72 1ge4 h ARG 10 Ca 0.23 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1ge4 h ARG 10 Cb 0.07 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1ge4 h ARG 10 CO -0.12 0.96 0.19 1.15 -1.07 0.00 0.00 179.97 181.08 1ge4 h THR 11 N 0.64 1.22 -0.58 2.04 2.02 -0.77 -1.11 112.91 116.37 1ge4 h THR 11 Ca 0.07 -0.69 -0.09 0.00 0.77 0.00 0.00 66.41 66.47 1ge4 h THR 11 Cb 0.83 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1ge4 h THR 11 CO 0.07 0.26 0.01 -0.07 0.37 0.00 0.00 175.52 176.16 1ge4 h LEU 12 N 0.67 1.01 -0.62 2.58 3.38 -0.73 -1.97 115.31 119.63 1ge4 h LEU 12 Ca 0.17 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1ge4 h LEU 12 Cb 0.22 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1ge4 h LEU 12 CO -0.01 1.06 0.35 0.50 0.09 0.00 0.00 178.44 180.43 1ge4 h LYS 13 N 0.92 0.85 -0.12 1.13 3.64 -0.93 -2.08 116.57 119.98 1ge4 h LYS 13 Ca 0.17 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1ge4 h LYS 13 Cb 0.54 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1ge4 h LYS 13 CO 0.03 0.63 -0.14 -0.09 -2.27 0.00 0.00 179.45 177.62 1ge4 h ARG 14 N 0.84 0.18 -0.06 1.90 2.43 -1.03 -1.80 114.38 116.84 1ge4 h ARG 14 Ca 0.22 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1ge4 h ARG 14 Cb 0.02 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1ge4 h ARG 14 CO -0.04 0.33 0.00 1.28 -1.51 0.00 0.00 179.97 180.03 1ge4 n LEU 15 N -4.29 0.48 -0.35 3.80 4.77 -0.76 -4.90 117.00 115.75 1ge4 n LEU 15 Ca -0.01 -0.21 -0.03 0.00 -0.03 0.00 0.00 56.01 55.73 1ge4 n LEU 15 Cb 0.26 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1ge4 n LEU 15 CO 0.37 0.11 -0.03 0.61 -1.33 0.00 0.00 177.39 177.12 1ge4 n GLY 16 N 0.82 0.31 0.08 -0.72 0.00 -0.68 -4.98 105.19 100.02 1ge4 n GLY 16 Ca 0.11 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.49 1ge4 n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1ge4 h MET 17 N -0.03 0.00 -6.27 1.61 2.86 -1.60 -3.41 114.93 108.09 1ge4 h MET 17 Ca -0.06 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.01 1ge4 h MET 17 Cb 1.05 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.68 1ge4 h MET 17 CO 0.07 0.00 1.27 0.34 1.06 0.00 0.00 176.91 179.65 1ge4 s ASP 18 N -4.66 5.88 0.00 1.22 2.15 -1.26 -2.06 116.67 117.94 1ge4 s ASP 18 Ca 0.03 1.22 0.00 0.00 0.43 0.00 0.00 52.55 54.24 1ge4 s ASP 18 Cb 0.12 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1ge4 s ASP 18 CO 0.76 -1.73 0.00 0.61 -0.17 0.00 0.00 175.17 174.64 1ge4 n GLY 19 N 5.42 0.63 3.68 2.66 0.00 0.43 -4.90 105.19 113.10 1ge4 n GLY 19 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1ge4 n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ge4 n TYR 20 N -2.72 2.55 -4.12 1.61 9.36 -0.87 -1.00 117.16 121.97 1ge4 n TYR 20 Ca 0.00 -0.19 -0.34 0.00 3.32 0.00 0.00 57.90 60.69 1ge4 n TYR 20 Cb 0.00 -2.74 -0.01 0.00 -0.63 0.00 0.00 39.34 35.96 1ge4 n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1ge4 n ARG 21 N 6.20 -3.85 -0.97 2.98 5.12 -1.26 -1.02 116.66 123.86 1ge4 n ARG 21 Ca 0.19 0.44 0.00 0.00 -1.93 0.00 0.00 57.85 56.55 1ge4 n ARG 21 Cb 0.37 -5.17 0.00 0.00 -1.16 0.00 0.00 32.46 26.50 1ge4 n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ge4 n GLY 22 N -1.52 0.51 3.56 -0.13 0.00 -0.17 -4.98 105.19 102.46 1ge4 n GLY 22 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1ge4 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ge4 s ILE 23 N -2.22 5.29 0.66 -0.61 1.01 -0.18 -4.89 121.20 120.26 1ge4 s ILE 23 Ca 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.46 1ge4 s ILE 23 Cb 0.00 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.82 1ge4 s ILE 23 CO 0.00 0.09 1.16 -0.94 0.00 0.00 0.00 174.94 175.26 1ge4 s SER 24 N 1.74 4.85 0.28 3.58 1.04 -1.26 -0.43 113.70 123.49 1ge4 s SER 24 Ca 0.07 2.21 0.00 0.00 0.48 0.00 0.00 55.95 58.72 1ge4 s SER 24 Cb -0.17 -2.58 0.53 0.00 0.10 0.00 0.00 66.02 63.90 1ge4 s SER 24 CO 0.11 -1.82 1.84 0.25 0.98 0.00 0.00 173.24 174.60 1ge4 h LEU 25 N 0.18 0.93 -1.64 2.42 5.85 -1.91 -1.19 115.31 119.94 1ge4 h LEU 25 Ca -0.48 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 1ge4 h LEU 25 Cb 1.27 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1ge4 h LEU 25 CO 0.53 0.51 0.15 0.00 -0.34 0.00 0.00 178.44 179.28 1ge4 h ALA 26 N 1.52 1.73 -0.33 1.25 0.00 -1.92 -0.45 119.26 121.07 1ge4 h ALA 26 Ca 0.49 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.17 1ge4 h ALA 26 Cb 0.44 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ge4 h ALA 26 CO -0.25 0.23 -0.45 -0.91 0.00 0.00 0.00 179.25 177.87 1ge4 h ASN 27 N 0.39 0.97 -0.65 0.00 2.35 -1.54 0.03 115.58 117.13 1ge4 h ASN 27 Ca 0.10 -0.50 -0.06 0.00 -0.55 0.00 0.00 56.30 55.29 1ge4 h ASN 27 Cb 0.03 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 1ge4 h ASN 27 CO -0.02 1.28 0.19 -0.50 -1.65 0.00 0.00 177.43 176.73 1ge4 h TRP 28 N 0.69 1.08 -0.22 1.19 4.06 -1.05 0.04 115.95 121.75 1ge4 h TRP 28 Ca 0.04 -0.11 -0.02 0.00 2.06 0.00 0.00 58.89 60.86 1ge4 h TRP 28 Cb 1.05 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.89 1ge4 h TRP 28 CO 0.07 0.87 0.06 0.52 -3.56 0.00 0.00 178.44 176.40 1ge4 h MET 29 N 1.00 0.34 -0.86 0.49 2.86 -0.96 -1.00 114.93 116.80 1ge4 h MET 29 Ca 0.22 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1ge4 h MET 29 Cb 0.31 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 1ge4 h MET 29 CO -0.00 0.45 0.53 0.00 1.06 0.00 0.00 176.91 178.95 1ge4 h LEU 31 N 1.18 -0.25 -1.23 0.00 5.85 -0.65 -2.11 115.31 118.11 1ge4 h LEU 31 Ca 0.31 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1ge4 h LEU 31 Cb -0.07 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1ge4 h LEU 31 CO -0.06 0.00 0.33 0.00 -0.34 0.00 0.00 178.44 178.37 1ge4 h ALA 32 N 0.22 1.41 -0.01 1.25 0.00 -1.00 0.61 119.26 121.74 1ge4 h ALA 32 Ca -0.03 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ge4 h ALA 32 Cb 0.38 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ge4 h ALA 32 CO 0.05 0.48 0.00 -0.22 0.00 0.00 0.00 179.25 179.57 1ge4 h LYS 33 N 0.87 0.01 0.00 0.00 1.63 -0.95 -1.54 116.57 116.58 1ge4 h LYS 33 Ca 0.22 -0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.84 1ge4 h LYS 33 Cb 0.04 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.64 1ge4 h LYS 33 CO -0.03 0.06 -0.87 -1.49 -3.45 0.00 0.00 179.45 173.66 1ge4 h TRP 34 N -0.05 0.00 -0.08 1.91 4.06 -1.14 -0.75 115.95 119.90 1ge4 h TRP 34 Ca 0.00 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.78 1ge4 h TRP 34 Cb 0.06 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.23 1ge4 h TRP 34 CO -0.06 0.87 -0.61 0.93 -3.56 0.00 0.00 178.44 176.02 1ge4 h GLU 35 N 0.00 0.55 0.00 0.49 4.39 -0.88 -3.42 114.58 115.70 1ge4 h GLU 35 Ca -0.01 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1ge4 h GLU 35 Cb 1.62 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.38 1ge4 h GLU 35 CO 0.11 1.12 0.00 -1.13 -1.16 0.00 0.00 179.01 177.95 1ge4 n SER 36 N -4.16 0.07 -1.28 1.42 3.41 -0.63 -4.82 113.62 107.62 1ge4 n SER 36 Ca -0.09 -0.65 -0.10 0.00 -0.26 0.00 0.00 58.87 57.77 1ge4 n SER 36 Cb 0.66 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.65 1ge4 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ge4 n GLY 37 N 0.04 0.00 3.03 5.00 0.00 -0.29 -2.79 105.19 110.18 1ge4 n GLY 37 Ca 0.00 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 1ge4 n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ge4 n TYR 38 N -3.96 -2.01 -3.77 1.61 0.53 -1.07 -4.73 117.16 103.75 1ge4 n TYR 38 Ca -0.10 0.59 -0.37 0.00 -1.02 0.00 0.00 57.90 57.00 1ge4 n TYR 38 Cb 0.58 -4.37 -0.13 0.00 -1.03 0.00 0.00 39.34 34.40 1ge4 n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1ge4 s ASN 39 N -2.85 5.09 0.50 7.72 2.47 -1.12 -0.90 114.94 125.84 1ge4 s ASN 39 Ca 0.34 -0.77 0.29 0.00 0.42 0.00 0.00 52.86 53.14 1ge4 s ASN 39 Cb -0.15 -1.86 1.08 0.00 -1.45 0.00 0.00 41.25 38.87 1ge4 s ASN 39 CO 0.42 -0.20 1.88 0.71 -3.72 0.00 0.00 177.10 176.19 1ge4 h THR 40 N 5.92 0.22 -0.13 -5.21 1.35 -1.33 -3.04 112.91 110.68 1ge4 h THR 40 Ca -0.31 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 1ge4 h THR 40 Cb 1.12 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 1ge4 h THR 40 CO 0.60 0.09 0.00 -2.11 -0.25 0.00 0.00 175.52 173.85 1ge4 n ARG 41 N -3.21 2.07 -1.89 4.72 1.85 -1.26 -4.06 116.66 114.88 1ge4 n ARG 41 Ca 0.01 -1.58 -0.41 0.00 -1.00 0.00 0.00 57.85 54.86 1ge4 n ARG 41 Cb 0.38 -1.46 -0.02 0.00 -1.05 0.00 0.00 32.46 30.31 1ge4 n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ge4 s ALA 42 N -1.85 3.67 0.03 2.89 0.00 -1.19 -4.79 121.76 120.52 1ge4 s ALA 42 Ca 0.34 1.46 0.01 0.00 0.00 0.00 0.00 51.96 53.77 1ge4 s ALA 42 Cb 0.20 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 1ge4 s ALA 42 CO 0.31 -0.88 -0.06 0.95 0.00 0.00 0.00 175.76 176.08 1ge4 s THR 43 N -0.20 0.37 -0.13 0.00 -4.23 -1.26 -0.33 115.64 109.86 1ge4 s THR 43 Ca 0.60 -1.03 -0.04 0.00 -1.18 0.00 0.00 61.69 60.03 1ge4 s THR 43 Cb -0.45 -0.50 0.06 0.00 1.34 0.00 0.00 72.50 72.95 1ge4 s THR 43 CO 0.48 -0.44 0.18 0.21 -0.54 0.00 0.00 174.62 174.51 1ge4 s ASN 44 N -1.57 1.03 -0.01 3.99 2.47 -0.47 -4.96 114.94 115.43 1ge4 s ASN 44 Ca -0.12 0.12 -0.26 0.00 0.42 0.00 0.00 52.86 53.03 1ge4 s ASN 44 Cb -0.10 0.29 -0.04 0.00 -1.45 0.00 0.00 41.25 39.96 1ge4 s ASN 44 CO -0.00 -0.28 0.79 -0.47 -3.72 0.00 0.00 177.10 173.42 1ge4 s TYR 45 N 2.30 3.66 -0.82 0.43 6.14 -1.26 -0.29 117.35 127.51 1ge4 s TYR 45 Ca 0.04 1.45 -0.11 0.00 0.64 0.00 0.00 57.07 59.09 1ge4 s TYR 45 Cb -0.13 -2.89 0.21 0.00 0.42 0.00 0.00 41.96 39.57 1ge4 s TYR 45 CO -0.08 0.14 0.74 -0.80 0.64 0.00 0.00 175.55 176.19 1ge4 s ASN 46 N 0.51 6.49 0.47 4.32 0.01 0.69 -4.90 114.94 122.52 1ge4 s ASN 46 Ca 0.41 -2.87 0.24 0.00 -0.71 0.00 0.00 52.86 49.94 1ge4 s ASN 46 Cb -0.20 -2.13 1.28 0.00 0.41 0.00 0.00 41.25 40.62 1ge4 s ASN 46 CO 0.22 -0.49 1.87 0.00 -1.51 0.00 0.00 177.10 177.19 1ge4 h ALA 47 N 7.44 2.52 -0.20 0.60 0.00 -1.95 0.16 119.26 127.82 1ge4 h ALA 47 Ca 0.09 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1ge4 h ALA 47 Cb 1.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1ge4 h ALA 47 CO 0.77 -0.80 0.01 0.78 0.00 0.00 0.00 179.25 180.01 1ge4 h GLY 48 N 0.21 0.31 0.00 0.00 0.00 -1.94 -3.30 103.07 98.35 1ge4 h GLY 48 Ca 0.46 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1ge4 h GLY 48 CO -0.10 0.15 0.00 2.09 0.00 0.00 0.00 176.54 178.67 1ge4 n ASP 49 N -4.38 0.64 -1.31 0.19 5.75 -0.75 -5.02 116.55 111.67 1ge4 n ASP 49 Ca -0.00 -1.31 -0.16 0.00 -0.01 0.00 0.00 54.79 53.32 1ge4 n ASP 49 Cb 0.18 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.21 1ge4 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ge4 n ARG 50 N -0.15 -1.12 -3.53 0.11 1.74 0.48 -4.75 116.66 109.43 1ge4 n ARG 50 Ca 0.00 0.99 -0.20 0.00 -0.77 0.00 0.00 57.85 57.87 1ge4 n ARG 50 Cb 0.40 -5.20 -0.02 0.00 -1.02 0.00 0.00 32.46 26.62 1ge4 n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ge4 s SER 51 N -2.73 5.33 0.00 0.55 1.04 -1.20 -4.43 113.70 112.26 1ge4 s SER 51 Ca 0.00 -0.55 0.01 0.00 0.48 0.00 0.00 55.95 55.89 1ge4 s SER 51 Cb 0.00 -0.78 -0.01 0.00 0.10 0.00 0.00 66.02 65.34 1ge4 s SER 51 CO 0.00 -0.56 -0.05 -0.89 0.98 0.00 0.00 173.24 172.72 1ge4 s THR 52 N -2.37 0.35 -0.14 2.02 2.01 -1.26 -0.22 115.64 116.03 1ge4 s THR 52 Ca 0.47 -0.34 -0.13 0.00 0.31 0.00 0.00 61.69 62.00 1ge4 s THR 52 Cb -0.06 -0.33 -0.05 0.00 0.01 0.00 0.00 72.50 72.08 1ge4 s THR 52 CO 0.29 0.00 0.30 -1.81 -0.69 0.00 0.00 174.62 172.70 1ge4 s ASP 53 N -0.37 6.47 -0.05 3.53 1.01 0.61 -1.35 116.67 126.52 1ge4 s ASP 53 Ca -0.01 0.55 0.06 0.00 0.71 0.00 0.00 52.55 53.87 1ge4 s ASP 53 Cb -0.03 -2.18 -0.01 0.00 1.01 0.00 0.00 42.92 41.70 1ge4 s ASP 53 CO -0.00 0.14 -0.25 -0.31 0.21 0.00 0.00 175.17 174.96 1ge4 s TYR 54 N 0.22 2.35 0.00 4.23 2.02 0.17 -1.36 117.35 124.98 1ge4 s TYR 54 Ca 0.17 -0.65 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 1ge4 s TYR 54 Cb -0.13 -1.54 0.00 0.00 -0.40 0.00 0.00 41.96 39.89 1ge4 s TYR 54 CO 0.05 -0.18 0.00 0.41 -1.57 0.00 0.00 175.55 174.26 1ge4 n GLY 55 N 2.87 -1.51 0.32 0.71 0.00 0.55 -1.68 105.19 106.44 1ge4 n GLY 55 Ca -0.17 -1.29 0.09 0.00 0.00 0.00 0.00 46.02 44.65 1ge4 n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ge4 h ILE 56 N 0.00 0.99 -0.21 -0.61 2.10 -1.68 -1.36 117.51 116.74 1ge4 h ILE 56 Ca 0.00 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.82 1ge4 h ILE 56 Cb 0.00 0.61 0.00 0.00 -1.09 0.00 0.00 36.82 36.34 1ge4 h ILE 56 CO 0.00 0.06 0.00 0.49 -1.08 0.00 0.00 178.15 177.62 1ge4 n PHE 57 N -4.48 0.25 -3.79 2.19 0.99 -1.26 -3.94 117.46 107.43 1ge4 n PHE 57 Ca 0.04 -0.14 -0.28 0.00 -0.00 0.00 0.00 57.45 57.07 1ge4 n PHE 57 Cb 0.21 -0.00 0.02 0.00 -1.00 0.00 0.00 39.48 38.71 1ge4 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1ge4 n GLN 58 N 1.25 -2.40 -2.58 -1.08 1.13 -0.51 -4.91 117.38 108.27 1ge4 n GLN 58 Ca 0.15 0.45 -0.42 0.00 -1.94 0.00 0.00 57.00 55.24 1ge4 n GLN 58 Cb 0.54 -4.37 -0.03 0.00 0.11 0.00 0.00 30.24 26.49 1ge4 n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ge4 s ILE 59 N -3.67 4.50 0.14 5.09 1.01 -0.68 -4.34 121.20 123.25 1ge4 s ILE 59 Ca 0.25 1.80 -0.29 0.00 0.00 0.00 0.00 60.65 62.40 1ge4 s ILE 59 Cb -0.09 -4.15 -0.07 0.00 0.01 0.00 0.00 42.46 38.16 1ge4 s ILE 59 CO 0.87 0.14 0.94 0.21 0.00 0.00 0.00 174.94 177.10 1ge4 s ASN 60 N 1.02 7.51 0.34 3.58 3.84 -1.26 -0.65 114.94 129.32 1ge4 s ASN 60 Ca 0.55 1.80 0.26 0.00 0.21 0.00 0.00 52.86 55.68 1ge4 s ASN 60 Cb -0.25 -2.58 1.13 0.00 -0.55 0.00 0.00 41.25 39.00 1ge4 s ASN 60 CO 0.29 0.01 1.78 0.77 -2.79 0.00 0.00 177.10 177.16 1ge4 h SER 61 N 5.18 0.00 -0.05 -4.21 4.64 -1.45 -2.46 113.55 115.20 1ge4 h SER 61 Ca -0.44 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.84 1ge4 h SER 61 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1ge4 h SER 61 CO 0.71 0.00 -0.09 -0.09 -0.87 0.00 0.00 176.83 176.49 1ge4 h ARG 62 N 0.00 0.30 0.00 4.77 2.43 -1.84 -3.39 114.38 116.65 1ge4 h ARG 62 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1ge4 h ARG 62 Cb 0.34 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1ge4 h ARG 62 CO 0.00 0.40 -0.43 0.66 -1.51 0.00 0.00 179.97 179.09 1ge4 n TYR 63 N -4.29 0.00 -0.10 2.20 4.02 -1.21 -0.44 117.16 117.34 1ge4 n TYR 63 Ca -0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.74 1ge4 n TYR 63 Cb 0.25 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.43 1ge4 n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1ge4 n TRP 64 N -0.89 0.21 -4.13 -0.72 7.02 -0.93 -0.56 117.44 117.44 1ge4 n TRP 64 Ca 0.00 0.06 -0.10 0.00 -1.02 0.00 0.00 57.50 56.44 1ge4 n TRP 64 Cb 0.10 -1.03 -0.10 0.00 -2.42 0.00 0.00 31.31 27.86 1ge4 n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ge4 s ASN 66 N -2.74 6.02 0.00 0.00 2.47 -0.31 -4.55 114.94 115.83 1ge4 s ASN 66 Ca 0.06 0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.48 1ge4 s ASN 66 Cb 0.03 -2.07 0.00 0.00 -1.45 0.00 0.00 41.25 37.77 1ge4 s ASN 66 CO -0.05 0.12 0.71 -0.90 -3.72 0.00 0.00 177.10 173.26 1ge4 n ASP 67 N 3.90 1.34 0.00 -4.21 5.75 -1.26 -0.91 116.55 121.15 1ge4 n ASP 67 Ca -0.16 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.15 1ge4 n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1ge4 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ge4 n GLY 68 N -0.24 1.12 0.68 6.12 0.00 -1.26 -4.69 105.19 106.93 1ge4 n GLY 68 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1ge4 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ge4 n LYS 69 N -1.51 1.82 -3.37 1.61 2.85 -1.26 -4.94 118.16 113.36 1ge4 n LYS 69 Ca 0.00 -1.74 -0.39 0.00 -1.05 0.00 0.00 58.31 55.14 1ge4 n LYS 69 Cb 0.00 -1.31 -0.08 0.00 -0.65 0.00 0.00 35.03 33.00 1ge4 n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1ge4 s THR 70 N -1.10 5.18 0.28 0.58 2.01 -1.26 -4.94 115.64 116.39 1ge4 s THR 70 Ca 0.23 0.70 -0.30 0.00 0.31 0.00 0.00 61.69 62.62 1ge4 s THR 70 Cb 0.14 -3.73 -0.12 0.00 0.01 0.00 0.00 72.50 68.79 1ge4 s THR 70 CO 0.19 0.22 1.58 -2.65 -0.69 0.00 0.00 174.62 173.26 1ge4 n PRO 71 N 4.75 2.62 -4.41 4.92 -0.02 -1.26 -3.30 135.00 138.30 1ge4 n PRO 71 Ca -0.08 0.93 -0.40 0.00 -2.02 0.00 0.00 63.50 61.94 1ge4 n PRO 71 Cb 0.51 -2.70 -0.06 0.00 -0.02 0.00 0.00 33.50 31.22 1ge4 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ge4 n GLY 72 N 2.21 -0.40 3.95 -1.23 0.00 -1.26 -4.93 105.19 103.53 1ge4 n GLY 72 Ca 0.09 0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1ge4 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ge4 s ALA 73 N -3.33 3.76 0.45 4.61 0.00 -1.21 -5.03 121.76 121.02 1ge4 s ALA 73 Ca 0.75 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 51.64 1ge4 s ALA 73 Cb -0.43 -2.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 1ge4 s ALA 73 CO 0.99 -0.51 0.04 0.14 0.00 0.00 0.00 175.76 176.43 1ge4 s VAL 74 N -2.64 1.12 -0.40 0.00 -7.23 0.41 -4.99 120.40 106.67 1ge4 s VAL 74 Ca 0.51 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.76 1ge4 s VAL 74 Cb -0.10 -2.38 0.26 0.00 0.56 0.00 0.00 36.38 34.72 1ge4 s VAL 74 CO 0.39 0.00 0.55 -3.20 -0.31 0.00 0.00 175.10 172.52 1ge4 n ASN 75 N -1.19 0.44 -0.17 4.85 5.15 -1.21 -3.77 115.26 119.36 1ge4 n ASN 75 Ca -0.12 -2.76 0.06 0.00 -0.60 0.00 0.00 54.58 51.16 1ge4 n ASN 75 Cb 0.66 -0.64 0.36 0.00 -0.53 0.00 0.00 39.78 39.63 1ge4 n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ge4 h ALA 76 N 3.94 1.71 0.00 5.20 0.00 -0.85 -0.91 119.26 128.35 1ge4 h ALA 76 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ge4 h ALA 76 Cb 0.87 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ge4 h ALA 76 CO 0.49 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.92 1ge4 n HIS 78 N -1.34 -1.98 -4.03 0.00 -0.00 -0.35 -4.96 115.22 102.57 1ge4 n HIS 78 Ca 0.12 0.86 -0.10 0.00 -0.00 0.00 0.00 57.72 58.60 1ge4 n HIS 78 Cb 0.25 -4.48 -0.11 0.00 -0.00 0.00 0.00 29.99 25.65 1ge4 n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ge4 s LEU 79 N -6.67 2.30 0.39 2.41 1.43 -1.26 -5.07 118.68 112.21 1ge4 s LEU 79 Ca 0.04 -0.61 -0.24 0.00 -1.03 0.00 0.00 54.13 52.28 1ge4 s LEU 79 Cb -0.02 0.05 -0.09 0.00 0.03 0.00 0.00 46.19 46.16 1ge4 s LEU 79 CO 0.80 -0.33 1.05 -0.55 0.23 0.00 0.00 176.35 177.55 1ge4 s SER 80 N -1.79 6.78 0.63 2.29 0.15 -1.26 -1.16 113.70 119.33 1ge4 s SER 80 Ca -0.10 2.05 0.39 0.00 0.70 0.00 0.00 55.95 58.99 1ge4 s SER 80 Cb -0.06 -2.59 2.11 0.00 -1.71 0.00 0.00 66.02 63.76 1ge4 s SER 80 CO -0.02 -0.48 2.29 0.00 1.20 0.00 0.00 173.24 176.23 1ge4 h SER 82 N 0.00 0.28 0.33 0.00 0.87 -1.90 -0.47 113.55 112.65 1ge4 h SER 82 Ca -0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1ge4 h SER 82 Cb 0.08 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1ge4 h SER 82 CO 0.00 0.18 -0.10 0.00 -0.53 0.00 0.00 176.83 176.37 1ge4 h ALA 83 N 1.75 1.31 -0.15 6.23 0.00 -1.57 -0.74 119.26 126.09 1ge4 h ALA 83 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ge4 h ALA 83 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ge4 h ALA 83 CO -0.05 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.61 1ge4 n LEU 84 N -3.66 0.99 -0.19 0.00 4.77 -0.19 -3.47 117.00 115.26 1ge4 n LEU 84 Ca -0.02 -0.46 0.02 0.00 -0.03 0.00 0.00 56.01 55.52 1ge4 n LEU 84 Cb 0.22 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1ge4 n LEU 84 CO 0.30 0.23 0.54 0.18 -1.33 0.00 0.00 177.39 177.31 1ge4 n LEU 85 N -0.03 2.29 -4.84 2.23 4.77 -0.28 -3.18 117.00 117.95 1ge4 n LEU 85 Ca 0.10 -2.06 -0.32 0.00 -0.03 0.00 0.00 56.01 53.70 1ge4 n LEU 85 Cb 0.18 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1ge4 n LEU 85 CO 0.07 0.57 0.69 -1.10 -1.33 0.00 0.00 177.39 176.30 1ge4 s GLN 86 N -1.10 3.76 0.24 3.23 -0.21 -1.23 -4.50 119.66 119.86 1ge4 s GLN 86 Ca 0.08 0.97 0.00 0.00 0.02 0.00 0.00 55.36 56.43 1ge4 s GLN 86 Cb 0.05 -2.11 0.28 0.00 1.00 0.00 0.00 33.01 32.23 1ge4 s GLN 86 CO 0.04 -0.43 1.63 -0.44 -2.12 0.00 0.00 175.29 173.98 1ge4 h ASP 87 N 0.62 0.53 -3.25 5.90 5.19 -1.93 -3.40 116.42 120.09 1ge4 h ASP 87 Ca -0.46 -0.22 -0.57 0.00 -0.62 0.00 0.00 57.03 55.15 1ge4 h ASP 87 Cb 1.19 -0.15 -0.06 0.00 0.18 0.00 0.00 39.33 40.50 1ge4 h ASP 87 CO 0.61 0.86 0.90 0.21 -3.12 0.00 0.00 179.24 178.69 1ge4 s ASN 88 N -6.84 6.83 -0.01 6.45 3.84 -1.26 -4.91 114.94 119.04 1ge4 s ASN 88 Ca -0.07 1.12 0.08 0.00 0.21 0.00 0.00 52.86 54.20 1ge4 s ASN 88 Cb 0.13 -2.54 0.25 0.00 -0.55 0.00 0.00 41.25 38.54 1ge4 s ASN 88 CO 0.81 -0.96 1.19 2.30 -2.79 0.00 0.00 177.10 177.65 1ge4 n ILE 89 N 6.00 0.43 -0.16 -5.21 -5.35 -1.26 -4.43 119.36 109.38 1ge4 n ILE 89 Ca 0.13 -0.39 -0.03 0.00 -0.27 0.00 0.00 62.75 62.19 1ge4 n ILE 89 Cb 0.47 0.14 0.06 0.00 -1.74 0.00 0.00 39.64 38.57 1ge4 n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ge4 h ALA 90 N 3.46 0.57 -0.53 -1.28 0.00 -1.95 0.12 119.26 119.65 1ge4 h ALA 90 Ca 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1ge4 h ALA 90 Cb 0.43 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1ge4 h ALA 90 CO 0.02 -0.26 0.04 -0.44 0.00 0.00 0.00 179.25 178.61 1ge4 h ASP 91 N 0.30 0.88 -0.72 0.00 3.45 -1.87 -0.91 116.42 117.55 1ge4 h ASP 91 Ca 0.24 -0.28 -0.04 0.00 0.43 0.00 0.00 57.03 57.37 1ge4 h ASP 91 Cb 0.28 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 38.78 1ge4 h ASP 91 CO -0.27 0.94 0.28 0.00 -1.57 0.00 0.00 179.24 178.62 1ge4 h ALA 92 N 0.97 1.12 -0.50 3.45 0.00 -1.67 -0.08 119.26 122.55 1ge4 h ALA 92 Ca 0.16 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1ge4 h ALA 92 Cb 0.47 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ge4 h ALA 92 CO 0.02 0.63 -0.18 0.28 0.00 0.00 0.00 179.25 179.99 1ge4 h VAL 93 N 1.06 1.27 -0.95 0.00 2.07 -0.55 0.14 116.25 119.29 1ge4 h VAL 93 Ca 0.24 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 1ge4 h VAL 93 Cb 0.21 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1ge4 h VAL 93 CO -0.02 0.47 0.58 0.00 0.02 0.00 0.00 177.57 178.62 1ge4 h ALA 94 N 0.88 1.22 -0.28 1.67 0.00 -0.71 -0.58 119.26 121.46 1ge4 h ALA 94 Ca 0.12 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1ge4 h ALA 94 Cb 0.76 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ge4 h ALA 94 CO 0.06 0.67 -0.37 0.00 0.00 0.00 0.00 179.25 179.60 1ge4 h ALA 96 N 0.68 1.38 -0.54 0.00 0.00 -0.38 0.02 119.26 120.43 1ge4 h ALA 96 Ca 0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ge4 h ALA 96 Cb 0.96 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1ge4 h ALA 96 CO 0.09 0.55 0.23 0.87 0.00 0.00 0.00 179.25 180.99 1ge4 h LYS 97 N 1.19 0.79 -0.65 0.00 1.57 -0.94 -2.12 116.57 116.42 1ge4 h LYS 97 Ca 0.34 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 1ge4 h LYS 97 Cb -0.08 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.06 1ge4 h LYS 97 CO -0.09 0.69 0.40 -0.09 -0.57 0.00 0.00 179.45 179.79 1ge4 h ARG 98 N 0.73 0.77 -0.21 3.15 9.65 -0.59 -2.23 114.38 125.65 1ge4 h ARG 98 Ca 0.18 -0.05 0.03 0.00 -1.10 0.00 0.00 59.98 59.05 1ge4 h ARG 98 Cb 0.18 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.55 1ge4 h ARG 98 CO -0.02 0.51 0.01 0.28 2.80 0.00 0.00 179.97 183.55 1ge4 h VAL 99 N 0.79 0.87 0.00 0.20 2.07 -0.60 -2.35 116.25 117.23 1ge4 h VAL 99 Ca 0.26 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.75 1ge4 h VAL 99 Cb 0.01 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1ge4 h VAL 99 CO -0.10 0.01 0.00 1.33 0.02 0.00 0.00 177.57 178.83 1ge4 n VAL 100 N -5.13 0.35 0.33 2.57 0.24 -0.84 -2.09 118.33 113.76 1ge4 n VAL 100 Ca -0.02 0.09 0.14 0.00 -2.04 0.00 0.00 64.34 62.51 1ge4 n VAL 100 Cb 0.11 -0.73 0.50 0.00 -1.47 0.00 0.00 33.84 32.25 1ge4 n VAL 100 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1ge4 h ARG 101 N 0.00 0.00 -7.40 7.34 2.43 -0.84 -3.37 114.38 112.54 1ge4 h ARG 101 Ca 0.00 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.67 1ge4 h ARG 101 Cb 0.23 0.00 0.09 0.00 -0.42 0.00 0.00 29.97 29.86 1ge4 h ARG 101 CO 0.00 0.00 0.39 -0.51 -1.51 0.00 0.00 179.97 178.34 1ge4 s ASP 102 N -5.35 5.34 0.31 -3.80 -0.00 -0.89 -4.95 116.67 107.33 1ge4 s ASP 102 Ca 0.04 1.35 0.08 0.00 -0.00 0.00 0.00 52.55 54.02 1ge4 s ASP 102 Cb 0.09 -2.20 0.83 0.00 -0.00 0.00 0.00 42.92 41.64 1ge4 s ASP 102 CO 0.54 -1.43 1.73 1.55 -0.00 0.00 0.00 175.17 177.56 1ge4 h PRO 103 N -0.71 0.55 0.00 8.23 0.13 -1.88 -1.58 132.00 136.74 1ge4 h PRO 103 Ca -0.45 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1ge4 h PRO 103 Cb 1.23 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1ge4 h PRO 103 CO 0.61 0.37 -0.10 1.96 -0.23 0.00 0.00 178.00 180.60 1ge4 h GLN 104 N 0.57 0.00 0.00 0.86 4.20 -1.90 -3.48 115.11 115.36 1ge4 h GLN 104 Ca 0.62 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.33 1ge4 h GLN 104 Cb 1.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.92 1ge4 h GLN 104 CO -0.47 0.10 0.00 0.41 -0.67 0.00 0.00 178.83 178.20 1ge4 n GLY 105 N -0.88 2.67 0.31 3.46 0.00 -0.60 -1.84 105.19 108.31 1ge4 n GLY 105 Ca -0.02 -0.42 0.17 0.00 0.00 0.00 0.00 46.02 45.75 1ge4 n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ge4 h ILE 106 N 0.00 0.36 0.00 -0.61 6.09 -1.91 -2.16 117.51 119.29 1ge4 h ILE 106 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1ge4 h ILE 106 Cb 0.00 0.98 0.00 0.00 0.47 0.00 0.00 36.82 38.27 1ge4 h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1ge4 n ARG 107 N -3.61 0.04 -0.19 2.19 1.74 -0.77 -2.77 116.66 113.28 1ge4 n ARG 107 Ca -0.03 0.46 0.16 0.00 -0.77 0.00 0.00 57.85 57.67 1ge4 n ARG 107 Cb 0.10 -1.61 0.49 0.00 -1.02 0.00 0.00 32.46 30.42 1ge4 n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ge4 h ALA 108 N 2.14 2.10 -2.43 7.54 0.00 -1.54 -3.38 119.26 123.70 1ge4 h ALA 108 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.29 1ge4 h ALA 108 Cb 0.09 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 17.68 1ge4 h ALA 108 CO 0.00 -0.33 0.06 -1.58 0.00 0.00 0.00 179.25 177.40 1ge4 s TRP 109 N -5.44 3.20 0.36 0.00 0.51 -1.12 -4.96 118.94 111.49 1ge4 s TRP 109 Ca -0.08 0.43 0.07 0.00 -2.12 0.00 0.00 56.10 54.39 1ge4 s TRP 109 Cb 0.21 -2.96 0.69 0.00 -0.81 0.00 0.00 33.47 30.60 1ge4 s TRP 109 CO 0.77 -0.49 1.89 0.28 -0.51 0.00 0.00 176.95 178.89 1ge4 h VAL 110 N 5.57 1.19 -0.31 4.03 2.07 -1.90 -1.57 116.25 125.33 1ge4 h VAL 110 Ca -0.27 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1ge4 h VAL 110 Cb 1.12 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1ge4 h VAL 110 CO 0.78 0.26 0.20 0.00 0.02 0.00 0.00 177.57 178.84 1ge4 h ALA 111 N 1.57 1.79 -0.45 1.67 0.00 -1.94 -1.01 119.26 120.89 1ge4 h ALA 111 Ca 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ge4 h ALA 111 Cb 0.36 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1ge4 h ALA 111 CO 0.02 0.20 0.11 2.35 0.00 0.00 0.00 179.25 181.93 1ge4 h TRP 112 N 0.41 0.76 -0.78 0.00 7.01 -1.62 0.02 115.95 121.75 1ge4 h TRP 112 Ca 0.11 -0.09 0.01 0.00 2.11 0.00 0.00 58.89 61.03 1ge4 h TRP 112 Cb -0.04 -0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 26.76 1ge4 h TRP 112 CO -0.00 0.70 0.52 0.00 -2.79 0.00 0.00 178.44 176.86 1ge4 h ARG 113 N 0.60 1.04 -0.25 2.65 3.08 -1.24 0.59 114.38 120.84 1ge4 h ARG 113 Ca 0.14 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 60.00 1ge4 h ARG 113 Cb 0.32 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1ge4 h ARG 113 CO 0.00 0.69 -0.34 -0.91 -1.07 0.00 0.00 179.97 178.34 1ge4 h ASN 114 N 1.06 0.74 0.00 7.04 2.35 -0.94 -3.36 115.58 122.48 1ge4 h ASN 114 Ca 0.29 -0.50 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1ge4 h ASN 114 Cb -0.12 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.04 1ge4 h ASN 114 CO -0.06 1.10 0.00 -2.11 -1.65 0.00 0.00 177.43 174.71 1ge4 n ARG 115 N -4.24 1.89 0.00 0.81 0.00 -0.03 -4.85 116.66 110.23 1ge4 n ARG 115 Ca -0.05 -1.20 0.00 0.00 -0.00 0.00 0.00 57.85 56.60 1ge4 n ARG 115 Cb 0.50 -0.97 0.00 0.00 -0.00 0.00 0.00 32.46 31.99 1ge4 n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ge4 n GLN 117 N -2.40 1.64 -1.51 0.00 7.27 -0.02 -1.72 117.38 120.64 1ge4 n GLN 117 Ca 0.00 0.58 -0.18 0.00 0.07 0.00 0.00 57.00 57.48 1ge4 n GLN 117 Cb 0.27 -2.17 -0.08 0.00 2.41 0.00 0.00 30.24 30.68 1ge4 n GLN 117 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ge4 n ALA 118 N 1.70 -0.27 -2.53 1.69 0.00 -1.26 -4.96 120.51 114.87 1ge4 n ALA 118 Ca 0.13 0.29 -0.23 0.00 0.00 0.00 0.00 53.44 53.62 1ge4 n ALA 118 Cb 0.28 -1.87 -0.07 0.00 0.00 0.00 0.00 19.45 17.80 1ge4 n ALA 118 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ge4 s ARG 119 N -3.50 2.29 -0.67 0.00 0.52 -0.70 -5.06 118.95 111.84 1ge4 s ARG 119 Ca 0.00 -1.60 -0.25 0.00 -0.52 0.00 0.00 55.73 53.36 1ge4 s ARG 119 Cb 0.00 -2.11 0.04 0.00 0.52 0.00 0.00 34.95 33.40 1ge4 s ARG 119 CO 0.00 0.12 1.12 0.34 0.02 0.00 0.00 175.30 176.90 1ge4 s ASP 120 N -3.81 6.23 -0.12 0.23 -1.08 -1.26 -4.85 116.67 112.00 1ge4 s ASP 120 Ca 0.37 -0.54 0.18 0.00 -0.52 0.00 0.00 52.55 52.03 1ge4 s ASP 120 Cb -0.02 -2.50 0.69 0.00 -1.46 0.00 0.00 42.92 39.64 1ge4 s ASP 120 CO 0.22 -1.58 1.61 1.33 0.52 0.00 0.00 175.17 177.27 1ge4 n VAL 121 N 6.24 1.89 -0.30 1.11 0.24 -1.26 -4.57 118.33 121.69 1ge4 n VAL 121 Ca 0.01 -1.26 0.06 0.00 -2.04 0.00 0.00 64.34 61.11 1ge4 n VAL 121 Cb 0.48 0.09 0.27 0.00 -1.47 0.00 0.00 33.84 33.21 1ge4 n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1ge4 h ARG 122 N 3.81 0.93 -1.06 7.34 3.08 -1.93 -2.57 114.38 123.98 1ge4 h ARG 122 Ca 0.00 -0.06 0.29 0.00 0.07 0.00 0.00 59.98 60.29 1ge4 h ARG 122 Cb 1.45 -0.21 -0.06 0.00 0.08 0.00 0.00 29.97 31.23 1ge4 h ARG 122 CO 0.24 0.61 0.73 -0.56 -1.07 0.00 0.00 179.97 179.92 1ge4 h GLN 123 N 0.95 0.15 0.00 0.04 3.07 -1.98 -1.66 115.11 115.68 1ge4 h GLN 123 Ca 0.41 -0.01 -0.05 0.00 0.09 0.00 0.00 58.65 59.09 1ge4 h GLN 123 Cb 0.32 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.83 1ge4 h GLN 123 CO -0.17 0.10 -0.24 1.88 0.09 0.00 0.00 178.83 180.49 1ge4 h TYR 124 N 0.16 0.00 -0.01 0.06 0.05 -1.80 -3.23 116.97 112.19 1ge4 h TYR 124 Ca 0.54 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.32 1ge4 h TYR 124 Cb 1.83 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.57 1ge4 h TYR 124 CO -0.00 0.24 -0.08 1.33 -1.05 0.00 0.00 178.16 178.61 1ge4 n VAL 125 N -3.78 0.00 -1.77 -2.88 0.24 -0.66 -4.80 118.33 104.68 1ge4 n VAL 125 Ca -0.01 -0.46 -0.42 0.00 -2.04 0.00 0.00 64.34 61.40 1ge4 n VAL 125 Cb 0.34 1.14 -0.03 0.00 -1.47 0.00 0.00 33.84 33.83 1ge4 n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ge4 s GLN 126 N -0.92 4.14 0.00 7.34 -1.52 -1.02 -2.08 119.66 125.59 1ge4 s GLN 126 Ca 0.08 2.56 0.00 0.00 -1.95 0.00 0.00 55.36 56.05 1ge4 s GLN 126 Cb 0.07 -3.08 0.00 0.00 -0.22 0.00 0.00 33.01 29.78 1ge4 s GLN 126 CO 0.15 -0.71 0.00 0.41 -0.25 0.00 0.00 175.29 174.89 1ge4 n GLY 127 N 3.70 1.95 0.02 3.09 0.00 -1.26 -4.88 105.19 107.81 1ge4 n GLY 127 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.30 1ge4 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ge4 n GLY 129 N 1.46 0.15 0.20 0.00 0.00 -1.26 -4.80 105.19 100.93 1ge4 n GLY 129 Ca 0.07 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.68 1ge4 n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65