#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mel s VAL 2 N 0.00 4.03 0.41 3.15 1.01 -1.26 -0.43 120.40 127.32 1mel s VAL 2 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 1mel s VAL 2 Cb 0.00 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1mel s VAL 2 CO 0.00 0.48 0.67 -0.36 0.00 0.00 0.00 175.10 175.90 1mel s PHE 3 N 0.42 3.53 0.33 5.22 0.40 -0.15 -4.97 117.98 122.77 1mel s PHE 3 Ca -0.03 0.63 -0.02 0.00 -0.60 0.00 0.00 56.93 56.91 1mel s PHE 3 Cb -0.14 -2.13 -0.04 0.00 0.51 0.00 0.00 43.02 41.22 1mel s PHE 3 CO 0.02 -0.08 0.57 0.20 0.70 0.00 0.00 175.22 176.64 1mel s GLY 4 N -3.96 1.59 0.07 4.36 0.00 -1.26 -4.85 107.32 103.27 1mel s GLY 4 Ca 0.44 -0.71 -0.28 0.00 0.00 0.00 0.00 44.72 44.17 1mel s GLY 4 CO 0.40 -0.62 1.44 -0.09 0.00 0.00 0.00 173.10 174.22 1mel h ARG 5 N 1.13 -0.75 0.00 2.90 2.43 -1.98 -1.87 114.38 116.23 1mel h ARG 5 Ca -0.48 0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.71 1mel h ARG 5 Cb 1.20 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1mel h ARG 5 CO 0.64 -0.50 -0.13 0.00 -1.51 0.00 0.00 179.97 178.47 1mel h GLU 7 N 0.00 -0.05 -0.82 0.00 4.81 -1.89 -2.27 114.58 114.36 1mel h GLU 7 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1mel h GLU 7 Cb 0.25 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1mel h GLU 7 CO 0.02 0.20 0.39 1.25 -0.73 0.00 0.00 179.01 180.14 1mel h LEU 8 N -0.30 1.07 -0.17 1.64 5.85 -0.85 -2.39 115.31 120.17 1mel h LEU 8 Ca -0.01 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1mel h LEU 8 Cb 0.27 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1mel h LEU 8 CO 0.01 0.90 -0.01 0.00 -0.34 0.00 0.00 178.44 179.01 1mel h ALA 9 N 1.26 0.15 -0.58 1.25 0.00 -1.32 0.13 119.26 120.15 1mel h ALA 9 Ca 0.28 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 1mel h ALA 9 Cb 0.12 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1mel h ALA 9 CO -0.03 -0.44 0.09 0.00 0.00 0.00 0.00 179.25 178.86 1mel h ALA 10 N 1.15 1.07 -0.66 0.00 0.00 -1.08 0.16 119.26 119.90 1mel h ALA 10 Ca 0.08 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1mel h ALA 10 Cb 0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1mel h ALA 10 CO -0.14 0.60 0.27 0.00 0.00 0.00 0.00 179.25 179.98 1mel h ALA 11 N 1.22 0.86 -0.07 0.00 0.00 -0.98 0.14 119.26 120.44 1mel h ALA 11 Ca 0.18 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1mel h ALA 11 Cb 0.39 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1mel h ALA 11 CO 0.01 0.47 -0.49 0.52 0.00 0.00 0.00 179.25 179.77 1mel h MET 12 N 0.94 0.17 0.07 0.00 2.86 -0.26 -1.73 114.93 116.98 1mel h MET 12 Ca 0.22 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1mel h MET 12 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1mel h MET 12 CO -0.02 0.62 -0.03 -0.22 1.06 0.00 0.00 176.91 178.32 1mel h LYS 13 N 0.14 -0.09 -0.15 1.72 3.64 -0.04 -0.85 116.57 120.94 1mel h LYS 13 Ca 0.01 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1mel h LYS 13 Cb 0.91 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1mel h LYS 13 CO 0.07 0.31 0.14 0.00 -2.27 0.00 0.00 179.45 177.70 1mel h ARG 14 N -0.50 0.00 -0.36 1.90 3.08 -0.73 -0.40 114.38 117.37 1mel h ARG 14 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1mel h ARG 14 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1mel h ARG 14 CO 0.01 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.63 1mel n HIS 15 N -4.04 0.48 -0.90 3.04 8.25 -0.65 -4.97 115.22 116.43 1mel n HIS 15 Ca 0.01 -0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 1mel n HIS 15 Cb 0.26 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1mel n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mel n GLY 16 N 1.21 0.51 0.15 -1.41 0.00 -0.16 -4.97 105.19 100.52 1mel n GLY 16 Ca 0.15 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.91 1mel n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1mel h LEU 17 N 0.00 0.00 -9.60 0.99 3.38 -1.34 -3.41 115.31 105.33 1mel h LEU 17 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1mel h LEU 17 Cb 0.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 1mel h LEU 17 CO 0.00 0.00 0.66 -0.62 0.09 0.00 0.00 178.44 178.57 1mel s ASP 18 N -5.16 6.90 -1.08 -0.43 -1.08 -1.26 -2.74 116.67 111.82 1mel s ASP 18 Ca 0.09 2.32 0.00 0.00 -0.52 0.00 0.00 52.55 54.43 1mel s ASP 18 Cb 0.09 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 1mel s ASP 18 CO 0.61 -0.56 0.00 0.59 0.52 0.00 0.00 175.17 176.33 1mel n ASN 19 N 3.31 -3.09 -4.68 -0.34 3.02 0.40 -4.85 115.26 109.03 1mel n ASN 19 Ca 0.08 0.26 -0.42 0.00 -0.03 0.00 0.00 54.58 54.47 1mel n ASN 19 Cb 0.43 -2.86 -0.03 0.00 -0.61 0.00 0.00 39.78 36.72 1mel n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1mel s TYR 20 N -2.12 2.97 -1.58 3.10 5.04 -1.09 -2.20 117.35 121.48 1mel s TYR 20 Ca 0.00 1.01 0.00 0.00 -2.44 0.00 0.00 57.07 55.64 1mel s TYR 20 Cb 0.00 -3.54 0.00 0.00 0.35 0.00 0.00 41.96 38.77 1mel s TYR 20 CO 0.00 -1.86 0.00 0.54 -1.34 0.00 0.00 175.55 172.89 1mel n ARG 21 N 5.56 -1.84 0.00 4.97 5.12 -1.26 -1.02 116.66 128.19 1mel n ARG 21 Ca 0.12 0.90 0.00 0.00 -1.93 0.00 0.00 57.85 56.94 1mel n ARG 21 Cb 0.45 -5.54 0.00 0.00 -1.16 0.00 0.00 32.46 26.21 1mel n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1mel n GLY 22 N -0.95 2.29 3.57 -0.13 0.00 -0.93 -4.98 105.19 104.05 1mel n GLY 22 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1mel n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mel s TYR 23 N -2.68 2.78 0.88 1.61 2.02 -0.19 -4.77 117.35 117.00 1mel s TYR 23 Ca 0.00 0.39 -0.11 0.00 -0.37 0.00 0.00 57.07 56.98 1mel s TYR 23 Cb 0.00 -4.26 0.12 0.00 -0.40 0.00 0.00 41.96 37.41 1mel s TYR 23 CO 0.00 -1.33 1.09 -1.54 -1.57 0.00 0.00 175.55 172.20 1mel s SER 24 N 2.63 3.61 0.26 2.29 1.04 -1.26 -0.45 113.70 121.81 1mel s SER 24 Ca 0.40 1.58 -0.02 0.00 0.48 0.00 0.00 55.95 58.40 1mel s SER 24 Cb -0.09 -2.26 0.54 0.00 0.10 0.00 0.00 66.02 64.30 1mel s SER 24 CO 0.26 -2.57 1.73 0.25 0.98 0.00 0.00 173.24 173.90 1mel h LEU 25 N -1.50 0.36 -2.10 2.42 5.85 -1.89 -0.35 115.31 118.11 1mel h LEU 25 Ca -0.48 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.41 1mel h LEU 25 Cb 1.27 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 1mel h LEU 25 CO 0.53 0.12 0.33 1.23 -0.34 0.00 0.00 178.44 180.31 1mel h GLY 26 N 0.49 0.00 0.94 3.75 0.00 -1.92 0.66 103.07 106.99 1mel h GLY 26 Ca 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.69 1mel h GLY 26 CO -0.42 0.00 -0.22 3.43 0.00 0.00 0.00 176.54 179.34 1mel h ASN 27 N 0.00 0.70 0.64 0.19 2.35 -1.25 -0.05 115.58 118.16 1mel h ASN 27 Ca 0.10 -0.44 -0.18 0.00 -0.55 0.00 0.00 56.30 55.22 1mel h ASN 27 Cb 0.75 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 1mel h ASN 27 CO -0.00 0.99 -0.82 -0.50 -1.65 0.00 0.00 177.43 175.45 1mel h TRP 28 N 0.41 0.19 0.00 1.19 4.06 -1.00 -2.16 115.95 118.63 1mel h TRP 28 Ca 0.06 -0.10 -0.14 0.00 2.06 0.00 0.00 58.89 60.76 1mel h TRP 28 Cb 0.76 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.88 1mel h TRP 28 CO 0.07 0.89 -0.68 0.28 -3.56 0.00 0.00 178.44 175.44 1mel h VAL 29 N 0.07 1.45 -0.20 1.49 2.07 -1.29 -2.90 116.25 116.95 1mel h VAL 29 Ca -0.03 -2.34 -0.21 0.00 0.82 0.00 0.00 66.70 64.94 1mel h VAL 29 Cb 1.43 2.28 0.01 0.00 -1.52 0.00 0.00 31.29 33.48 1mel h VAL 29 CO 0.12 0.66 -0.68 0.00 0.02 0.00 0.00 177.57 177.69 1mel h ALA 31 N 0.65 -0.05 -0.51 0.00 0.00 -1.37 -2.51 119.26 115.47 1mel h ALA 31 Ca -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1mel h ALA 31 Cb 1.30 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1mel h ALA 31 CO 0.14 -0.39 0.25 0.00 0.00 0.00 0.00 179.25 179.25 1mel h ALA 32 N 0.61 1.49 -0.38 0.00 0.00 -1.61 0.62 119.26 119.98 1mel h ALA 32 Ca -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1mel h ALA 32 Cb 0.31 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1mel h ALA 32 CO 0.01 0.41 0.19 -0.22 0.00 0.00 0.00 179.25 179.64 1mel h LYS 33 N 0.71 0.55 0.00 0.00 1.63 -1.36 -0.87 116.57 117.23 1mel h LYS 33 Ca 0.18 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1mel h LYS 33 Cb 0.07 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1mel h LYS 33 CO -0.03 0.47 -0.54 1.19 -3.45 0.00 0.00 179.45 177.10 1mel n PHE 34 N -4.72 0.58 -0.03 1.91 3.72 -0.87 -2.14 117.46 115.92 1mel n PHE 34 Ca -0.00 0.17 -0.09 0.00 -0.05 0.00 0.00 57.45 57.48 1mel n PHE 34 Cb 0.10 -0.68 -0.14 0.00 -0.94 0.00 0.00 39.48 37.82 1mel n PHE 34 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1mel n GLU 35 N -2.10 0.64 0.00 -1.08 -0.58 0.21 -4.75 120.64 112.97 1mel n GLU 35 Ca 0.04 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 1mel n GLU 35 Cb 0.43 -1.77 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 1mel n GLU 35 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1mel n SER 36 N -3.01 0.00 -0.04 1.62 3.41 -0.46 -4.62 113.62 110.52 1mel n SER 36 Ca -0.18 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.42 1mel n SER 36 Cb 1.06 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 65.01 1mel n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1mel n ASN 37 N -0.17 -1.99 0.00 4.04 2.85 -0.46 -3.24 115.26 116.29 1mel n ASN 37 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1mel n ASN 37 Cb 0.00 -0.58 0.00 0.00 1.24 0.00 0.00 39.78 40.44 1mel n ASN 37 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1mel n PHE 38 N -3.54 0.00 -2.99 1.20 3.72 -1.19 -4.76 117.46 109.91 1mel n PHE 38 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1mel n PHE 38 Cb 0.28 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.77 1mel n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1mel s ASN 39 N -2.51 6.65 0.38 4.37 3.84 -1.20 -0.97 114.94 125.50 1mel s ASN 39 Ca 0.00 0.70 0.27 0.00 0.21 0.00 0.00 52.86 54.03 1mel s ASN 39 Cb 0.00 -2.39 0.86 0.00 -0.55 0.00 0.00 41.25 39.17 1mel s ASN 39 CO 0.00 -0.54 1.77 0.71 -2.79 0.00 0.00 177.10 176.25 1mel h THR 40 N 5.53 0.00 -0.21 -5.21 1.35 -1.08 -3.24 112.91 110.05 1mel h THR 40 Ca -0.25 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 1mel h THR 40 Cb 1.10 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1mel h THR 40 CO 0.85 0.00 0.00 1.67 -0.25 0.00 0.00 175.52 177.79 1mel n GLN 41 N -2.72 1.85 -2.18 4.72 -0.06 -1.26 -3.91 117.38 113.83 1mel n GLN 41 Ca 0.03 -1.28 -0.42 0.00 -2.00 0.00 0.00 57.00 53.33 1mel n GLN 41 Cb 0.39 -1.40 -0.03 0.00 -4.06 0.00 0.00 30.24 25.14 1mel n GLN 41 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1mel s ALA 42 N -1.73 3.59 0.06 1.69 0.00 -1.22 -4.80 121.76 119.34 1mel s ALA 42 Ca 0.32 1.08 0.04 0.00 0.00 0.00 0.00 51.96 53.40 1mel s ALA 42 Cb 0.18 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1mel s ALA 42 CO 0.26 -0.66 -0.11 0.95 0.00 0.00 0.00 175.76 176.19 1mel s THR 43 N 1.33 0.87 -0.19 0.00 -4.23 -1.26 0.53 115.64 112.69 1mel s THR 43 Ca 0.65 -1.21 -0.04 0.00 -1.18 0.00 0.00 61.69 59.90 1mel s THR 43 Cb -0.36 -0.88 0.08 0.00 1.34 0.00 0.00 72.50 72.68 1mel s THR 43 CO 0.30 -0.29 0.15 0.21 -0.54 0.00 0.00 174.62 174.45 1mel s ASN 44 N -1.67 1.94 0.28 3.99 2.47 0.22 -4.95 114.94 117.22 1mel s ASN 44 Ca -0.05 -0.46 -0.29 0.00 0.42 0.00 0.00 52.86 52.47 1mel s ASN 44 Cb -0.10 0.04 -0.10 0.00 -1.45 0.00 0.00 41.25 39.64 1mel s ASN 44 CO 0.01 -0.34 1.12 -0.13 -3.72 0.00 0.00 177.10 174.04 1mel s ARG 45 N 2.22 4.61 0.41 0.43 0.52 -1.26 -0.74 118.95 125.15 1mel s ARG 45 Ca 0.04 1.85 0.08 0.00 -0.52 0.00 0.00 55.73 57.18 1mel s ARG 45 Cb -0.16 -3.18 -0.03 0.00 0.52 0.00 0.00 34.95 32.10 1mel s ARG 45 CO -0.12 0.17 0.32 -0.80 0.02 0.00 0.00 175.30 174.90 1mel s ASN 46 N -0.84 4.89 0.37 0.23 0.01 0.03 -4.95 114.94 114.68 1mel s ASN 46 Ca 0.45 -0.82 0.27 0.00 -0.71 0.00 0.00 52.86 52.05 1mel s ASN 46 Cb -0.33 -0.57 1.06 0.00 0.41 0.00 0.00 41.25 41.82 1mel s ASN 46 CO 0.42 -0.61 1.81 0.71 -1.51 0.00 0.00 177.10 177.92 1mel h THR 47 N 1.15 0.00 -0.24 1.60 1.35 -1.97 -2.90 112.91 111.90 1mel h THR 47 Ca -0.42 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 1mel h THR 47 Cb 1.26 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1mel h THR 47 CO 0.61 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.98 1mel n ASP 48 N -2.59 2.24 0.00 5.36 5.75 -1.26 -4.92 116.55 121.12 1mel n ASP 48 Ca 0.02 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 1mel n ASP 48 Cb 0.30 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1mel n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mel n GLY 49 N 1.24 3.44 3.91 6.12 0.00 -1.09 -5.05 105.19 113.76 1mel n GLY 49 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1mel n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mel s SER 50 N -0.99 4.50 0.01 1.61 1.04 -1.26 -4.72 113.70 113.89 1mel s SER 50 Ca 0.00 0.66 0.01 0.00 0.48 0.00 0.00 55.95 57.10 1mel s SER 50 Cb 0.00 -1.17 -0.01 0.00 0.10 0.00 0.00 66.02 64.94 1mel s SER 50 CO 0.00 -1.88 -0.05 -0.89 0.98 0.00 0.00 173.24 171.40 1mel s THR 51 N -3.51 0.32 -0.23 2.02 2.01 -1.26 -0.79 115.64 114.19 1mel s THR 51 Ca 0.62 -0.53 -0.11 0.00 0.31 0.00 0.00 61.69 61.98 1mel s THR 51 Cb -0.10 -0.34 -0.05 0.00 0.01 0.00 0.00 72.50 72.02 1mel s THR 51 CO 0.48 -0.15 0.17 -1.81 -0.69 0.00 0.00 174.62 172.63 1mel s ASP 52 N -0.73 6.16 0.12 3.53 1.01 0.08 -1.38 116.67 125.46 1mel s ASP 52 Ca -0.05 0.17 0.07 0.00 0.71 0.00 0.00 52.55 53.45 1mel s ASP 52 Cb -0.05 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.73 1mel s ASP 52 CO -0.00 0.08 -0.07 -0.31 0.21 0.00 0.00 175.17 175.07 1mel s TYR 53 N 0.95 2.77 0.03 4.23 1.51 -0.33 -0.61 117.35 125.90 1mel s TYR 53 Ca 0.09 -0.14 0.00 0.00 -1.01 0.00 0.00 57.07 56.00 1mel s TYR 53 Cb -0.13 -1.42 0.00 0.00 -0.11 0.00 0.00 41.96 40.30 1mel s TYR 53 CO 0.04 0.46 0.00 0.41 -1.11 0.00 0.00 175.55 175.34 1mel n GLY 54 N 0.48 -1.37 0.36 0.71 0.00 0.19 -1.47 105.19 104.09 1mel n GLY 54 Ca -0.12 -1.14 0.14 0.00 0.00 0.00 0.00 46.02 44.90 1mel n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1mel h ILE 55 N -0.12 0.85 -0.33 -0.61 2.10 -1.67 -0.55 117.51 117.18 1mel h ILE 55 Ca 0.00 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.83 1mel h ILE 55 Cb 0.12 0.50 0.00 0.00 -1.09 0.00 0.00 36.82 36.35 1mel h ILE 55 CO 0.00 0.06 0.00 0.18 -1.08 0.00 0.00 178.15 177.31 1mel n LEU 56 N -4.46 3.38 -3.89 2.19 4.77 -1.26 -3.56 117.00 114.18 1mel n LEU 56 Ca 0.10 -2.40 -0.39 0.00 -0.03 0.00 0.00 56.01 53.30 1mel n LEU 56 Cb 0.44 -0.37 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1mel n LEU 56 CO 0.34 0.72 -0.13 0.00 -1.33 0.00 0.00 177.39 176.99 1mel n GLN 57 N 0.18 -0.71 -2.66 3.23 1.13 -0.21 -4.92 117.38 113.42 1mel n GLN 57 Ca 0.16 0.29 -0.41 0.00 -1.94 0.00 0.00 57.00 55.10 1mel n GLN 57 Cb 0.62 -3.14 -0.04 0.00 0.11 0.00 0.00 30.24 27.79 1mel n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1mel s ILE 58 N -3.45 4.48 0.14 5.09 1.01 -0.54 -4.51 121.20 123.41 1mel s ILE 58 Ca 0.44 1.93 -0.30 0.00 0.00 0.00 0.00 60.65 62.73 1mel s ILE 58 Cb -0.21 -4.24 -0.07 0.00 0.01 0.00 0.00 42.46 37.96 1mel s ILE 58 CO 0.92 0.24 1.07 0.21 0.00 0.00 0.00 174.94 177.38 1mel s ASN 59 N 0.43 7.31 0.00 3.58 3.84 -1.26 -1.19 114.94 127.66 1mel s ASN 59 Ca 0.50 1.98 0.29 0.00 0.21 0.00 0.00 52.86 55.85 1mel s ASN 59 Cb -0.24 -2.60 1.75 0.00 -0.55 0.00 0.00 41.25 39.61 1mel s ASN 59 CO 0.30 -0.21 2.11 -1.54 -2.79 0.00 0.00 177.10 174.97 1mel n SER 60 N 2.73 0.00 -0.06 -4.21 3.41 -0.48 -1.24 113.62 113.78 1mel n SER 60 Ca 0.03 -1.03 -0.01 0.00 -0.26 0.00 0.00 58.87 57.60 1mel n SER 60 Cb 0.47 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.27 1mel n SER 60 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1mel n ARG 61 N -0.97 0.80 -0.05 4.33 0.63 -1.26 -4.46 116.66 115.67 1mel n ARG 61 Ca 0.22 -0.08 -0.11 0.00 -0.92 0.00 0.00 57.85 56.96 1mel n ARG 61 Cb 0.10 -1.48 -0.04 0.00 0.45 0.00 0.00 32.46 31.49 1mel n ARG 61 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 1mel n TRP 62 N -2.48 0.00 -0.06 -0.14 7.02 -1.12 -0.07 117.44 120.60 1mel n TRP 62 Ca -0.19 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.09 1mel n TRP 62 Cb 0.86 -0.42 -0.13 0.00 -2.42 0.00 0.00 31.31 29.20 1mel n TRP 62 CO 0.00 0.00 0.00 -1.49 -2.02 0.00 0.00 177.69 174.18 1mel h TRP 63 N -0.58 0.16 -4.21 -5.99 4.06 -1.48 0.64 115.95 108.55 1mel h TRP 63 Ca -0.19 -0.12 -0.12 0.00 2.06 0.00 0.00 58.89 60.52 1mel h TRP 63 Cb 0.94 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 29.08 1mel h TRP 63 CO -0.16 1.43 -0.09 0.00 -3.56 0.00 0.00 178.44 176.07 1mel s ASN 65 N -1.53 2.31 -0.04 0.00 3.84 -1.01 -4.22 114.94 114.30 1mel s ASN 65 Ca 0.00 -0.55 0.19 0.00 0.21 0.00 0.00 52.86 52.71 1mel s ASN 65 Cb -0.00 -0.35 0.61 0.00 -0.55 0.00 0.00 41.25 40.96 1mel s ASN 65 CO 0.00 -0.31 1.51 -0.90 -2.79 0.00 0.00 177.10 174.61 1mel n ASP 66 N 5.20 3.83 0.00 -4.21 5.75 -1.26 -2.51 116.55 123.35 1mel n ASP 66 Ca -0.07 -2.15 0.00 0.00 -0.01 0.00 0.00 54.79 52.56 1mel n ASP 66 Cb 0.49 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1mel n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mel n GLY 67 N 1.36 1.65 0.11 6.12 0.00 -1.26 -4.63 105.19 108.54 1mel n GLY 67 Ca 0.22 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.28 1mel n GLY 67 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1mel h ARG 68 N 0.27 0.00 -5.21 1.61 3.08 -1.96 -3.45 114.38 108.72 1mel h ARG 68 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1mel h ARG 68 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 29.91 1mel h ARG 68 CO 0.00 0.24 -0.31 0.99 -1.07 0.00 0.00 179.97 179.81 1mel s THR 69 N -3.06 5.24 0.27 2.04 2.01 -1.26 -4.99 115.64 115.89 1mel s THR 69 Ca -0.01 0.49 -0.20 0.00 0.31 0.00 0.00 61.69 62.28 1mel s THR 69 Cb 0.08 -3.65 -0.09 0.00 0.01 0.00 0.00 72.50 68.86 1mel s THR 69 CO 0.79 0.24 0.77 -2.84 -0.69 0.00 0.00 174.62 172.89 1mel s PRO 70 N 1.54 4.26 -1.36 4.92 0.02 -1.26 -4.06 135.00 139.07 1mel s PRO 70 Ca 0.14 0.92 0.00 0.00 0.02 0.00 0.00 61.00 62.08 1mel s PRO 70 Cb -0.15 -2.75 0.00 0.00 0.02 0.00 0.00 34.50 31.62 1mel s PRO 70 CO 0.08 0.31 0.00 0.41 -0.33 0.00 0.00 177.00 177.47 1mel n GLY 71 N 0.44 -0.05 3.70 0.52 0.00 -1.26 -4.96 105.19 103.59 1mel n GLY 71 Ca -0.00 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1mel n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mel s SER 72 N -2.37 7.05 0.08 1.61 0.15 -1.26 -4.92 113.70 114.05 1mel s SER 72 Ca 0.00 1.95 -0.17 0.00 0.70 0.00 0.00 55.95 58.44 1mel s SER 72 Cb 0.00 -2.57 -0.10 0.00 -1.71 0.00 0.00 66.02 61.64 1mel s SER 72 CO 0.00 -0.53 1.42 0.03 1.20 0.00 0.00 173.24 175.36 1mel h ARG 73 N 7.13 0.58 -5.11 5.44 2.47 -0.62 -3.48 114.38 120.79 1mel h ARG 73 Ca -0.39 -0.28 -0.29 0.00 -1.26 0.00 0.00 59.98 57.76 1mel h ARG 73 Cb 1.19 -0.00 0.14 0.00 -1.65 0.00 0.00 29.97 29.65 1mel h ARG 73 CO 0.84 0.87 -0.65 -1.71 0.56 0.00 0.00 179.97 179.88 1mel n ASN 74 N -4.40 -2.44 0.29 7.04 4.05 0.10 -4.93 115.26 114.98 1mel n ASN 74 Ca -0.04 -0.52 0.19 0.00 0.45 0.00 0.00 54.58 54.66 1mel n ASN 74 Cb 0.40 -4.43 0.95 0.00 1.23 0.00 0.00 39.78 37.93 1mel n ASN 74 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1mel h LEU 75 N -1.69 0.00 0.00 1.20 3.38 -1.13 0.16 115.31 117.22 1mel h LEU 75 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1mel h LEU 75 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1mel h LEU 75 CO 0.43 0.00 -0.74 0.00 0.09 0.00 0.00 178.44 178.23 1mel n ASN 77 N -1.52 -6.78 -3.54 0.00 4.05 0.04 -4.98 115.26 102.55 1mel n ASN 77 Ca 0.05 -0.47 -0.16 0.00 0.45 0.00 0.00 54.58 54.45 1mel n ASN 77 Cb 0.34 -4.46 -0.06 0.00 1.23 0.00 0.00 39.78 36.83 1mel n ASN 77 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1mel s ILE 78 N -3.14 0.00 0.27 -1.44 -4.36 -1.26 -5.11 121.20 106.15 1mel s ILE 78 Ca 0.16 0.00 -0.30 0.00 -0.26 0.00 0.00 60.65 60.26 1mel s ILE 78 Cb -0.04 -1.00 -0.09 0.00 1.25 0.00 0.00 42.46 42.58 1mel s ILE 78 CO 0.79 0.00 1.08 -2.16 0.24 0.00 0.00 174.94 174.89 1mel s PRO 79 N -1.15 4.66 0.51 0.37 0.04 -1.26 -2.40 135.00 135.76 1mel s PRO 79 Ca -0.08 1.77 0.21 0.00 0.04 0.00 0.00 61.00 62.93 1mel s PRO 79 Cb -0.00 -3.20 1.29 0.00 0.04 0.00 0.00 34.50 32.62 1mel s PRO 79 CO 0.07 0.24 2.02 0.00 0.04 0.00 0.00 177.00 179.38 1mel h SER 81 N 0.09 0.00 -0.03 0.00 4.64 -1.91 -1.02 113.55 115.33 1mel h SER 81 Ca 0.21 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.41 1mel h SER 81 Cb 0.70 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 1mel h SER 81 CO -0.02 0.00 -0.34 0.00 -0.87 0.00 0.00 176.83 175.60 1mel h ALA 82 N 1.94 0.96 0.00 5.18 0.00 -1.73 -3.07 119.26 122.55 1mel h ALA 82 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1mel h ALA 82 Cb 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1mel h ALA 82 CO 0.00 0.61 0.00 1.28 0.00 0.00 0.00 179.25 181.14 1mel n LEU 83 N -4.06 0.00 -0.51 0.00 4.77 -0.39 -2.62 117.00 114.19 1mel n LEU 83 Ca -0.01 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.04 1mel n LEU 83 Cb 0.47 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.61 1mel n LEU 83 CO 0.44 0.00 0.44 0.18 -1.33 0.00 0.00 177.39 177.12 1mel n LEU 84 N -0.95 2.05 -4.70 2.23 4.77 -1.16 -3.95 117.00 115.29 1mel n LEU 84 Ca 0.14 -0.98 -0.29 0.00 -0.03 0.00 0.00 56.01 54.85 1mel n LEU 84 Cb 0.07 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.31 1mel n LEU 84 CO 0.11 0.38 0.65 -0.94 -1.33 0.00 0.00 177.39 176.26 1mel s SER 85 N -1.14 3.03 0.52 -1.43 1.04 -1.08 -4.44 113.70 110.21 1mel s SER 85 Ca 0.15 1.34 0.31 0.00 0.48 0.00 0.00 55.95 58.23 1mel s SER 85 Cb 0.11 -2.01 1.22 0.00 0.10 0.00 0.00 66.02 65.44 1mel s SER 85 CO 0.18 -2.90 1.93 0.28 0.98 0.00 0.00 173.24 173.71 1mel h SER 86 N -1.73 0.00 -3.48 7.02 0.02 -1.94 -3.42 113.55 110.02 1mel h SER 86 Ca -0.52 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.83 1mel h SER 86 Cb 1.31 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.73 1mel h SER 86 CO 0.56 0.05 -0.24 -0.62 -1.14 0.00 0.00 176.83 175.44 1mel s ASP 87 N -5.83 6.41 -0.02 3.07 2.15 -1.26 -4.96 116.67 116.23 1mel s ASP 87 Ca 0.01 0.48 0.04 0.00 0.43 0.00 0.00 52.55 53.51 1mel s ASP 87 Cb 0.09 -2.22 0.14 0.00 -0.30 0.00 0.00 42.92 40.63 1mel s ASP 87 CO 0.57 -0.05 0.97 2.30 -0.17 0.00 0.00 175.17 178.78 1mel n ILE 88 N 4.29 0.33 0.03 4.11 -5.35 -1.26 -4.37 119.36 117.14 1mel n ILE 88 Ca -0.09 -0.23 -0.12 0.00 -0.27 0.00 0.00 62.75 62.05 1mel n ILE 88 Cb 0.51 -0.12 -0.07 0.00 -1.74 0.00 0.00 39.64 38.23 1mel n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1mel h THR 89 N 0.82 1.01 -0.00 7.28 2.02 -1.94 -0.89 112.91 121.22 1mel h THR 89 Ca 0.00 -0.02 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 1mel h THR 89 Cb 0.43 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1mel h THR 89 CO 0.04 0.01 -0.34 0.00 0.37 0.00 0.00 175.52 175.60 1mel h ALA 90 N 1.00 1.44 0.06 6.16 0.00 -1.86 -2.35 119.26 123.72 1mel h ALA 90 Ca 0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1mel h ALA 90 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1mel h ALA 90 CO -0.00 0.42 -0.03 0.77 0.00 0.00 0.00 179.25 180.41 1mel h SER 91 N 0.00 -0.07 0.21 0.00 0.02 -1.81 -2.99 113.55 108.91 1mel h SER 91 Ca -0.00 -0.40 0.01 0.00 -0.84 0.00 0.00 61.79 60.56 1mel h SER 91 Cb 0.60 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 1mel h SER 91 CO 0.04 0.37 -0.35 0.58 -1.14 0.00 0.00 176.83 176.33 1mel h VAL 92 N -0.54 0.27 -0.72 2.27 2.07 -1.05 0.32 116.25 118.86 1mel h VAL 92 Ca -0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.63 1mel h VAL 92 Cb 0.47 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 1mel h VAL 92 CO 0.01 0.00 0.48 0.78 0.02 0.00 0.00 177.57 178.86 1mel h ASN 93 N -0.64 0.48 0.02 0.57 2.35 -1.53 0.61 115.58 117.44 1mel h ASN 93 Ca 0.01 0.02 -0.23 0.00 -0.55 0.00 0.00 56.30 55.55 1mel h ASN 93 Cb 0.63 -0.08 0.02 0.00 0.05 0.00 0.00 38.32 38.94 1mel h ASN 93 CO -0.15 0.27 -0.90 0.00 -1.65 0.00 0.00 177.43 175.00 1mel h ALA 95 N 0.34 1.03 -0.14 0.00 0.00 0.95 0.17 119.26 121.60 1mel h ALA 95 Ca -0.12 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1mel h ALA 95 Cb 1.59 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1mel h ALA 95 CO 0.18 0.02 -0.14 0.87 0.00 0.00 0.00 179.25 180.18 1mel h LYS 96 N 0.68 0.23 -0.15 0.00 1.57 -0.97 -1.10 116.57 116.84 1mel h LYS 96 Ca 0.35 -0.05 -0.19 0.00 -1.87 0.00 0.00 60.65 58.89 1mel h LYS 96 Cb 0.33 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1mel h LYS 96 CO -0.24 0.38 -0.69 -0.22 -0.57 0.00 0.00 179.45 178.11 1mel h LYS 97 N 0.22 0.61 0.20 3.15 1.63 -0.60 -1.51 116.57 120.27 1mel h LYS 97 Ca 0.04 -0.46 -0.01 0.00 -0.85 0.00 0.00 60.65 59.37 1mel h LYS 97 Cb 0.39 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 1mel h LYS 97 CO 0.02 1.09 -0.10 0.82 -3.45 0.00 0.00 179.45 177.83 1mel h ILE 98 N 0.44 0.86 0.00 2.00 2.04 -0.37 -2.73 117.51 119.74 1mel h ILE 98 Ca -0.03 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 1mel h ILE 98 Cb 1.28 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1mel h ILE 98 CO 0.13 0.06 -0.17 0.58 0.00 0.00 0.00 178.15 178.76 1mel h VAL 99 N -0.40 1.00 -1.03 1.67 2.07 -1.25 -3.39 116.25 114.93 1mel h VAL 99 Ca -0.03 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1mel h VAL 99 Cb 0.31 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1mel h VAL 99 CO 0.04 0.17 0.00 -1.20 0.02 0.00 0.00 177.57 176.60 1mel n SER 100 N -4.17 -1.05 -0.85 0.57 7.64 -0.57 -2.45 113.62 112.75 1mel n SER 100 Ca -0.02 -0.22 -0.09 0.00 1.01 0.00 0.00 58.87 59.55 1mel n SER 100 Cb 0.24 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.40 1mel n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1mel n ASP 101 N -2.22 -4.23 -0.50 6.43 -0.08 -1.26 -2.16 116.55 112.53 1mel n ASP 101 Ca 0.00 0.22 -0.06 0.00 -1.51 0.00 0.00 54.79 53.45 1mel n ASP 101 Cb 0.00 -3.32 -0.02 0.00 2.34 0.00 0.00 41.12 40.13 1mel n ASP 101 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1mel n GLY 102 N 0.14 0.64 0.12 0.27 0.00 -1.26 -4.95 105.19 100.16 1mel n GLY 102 Ca -0.09 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.96 1mel n GLY 102 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1mel h ASN 103 N 0.00 0.35 -3.38 1.61 -1.24 -1.50 -3.51 115.58 107.92 1mel h ASN 103 Ca -0.12 -0.84 0.09 0.00 0.71 0.00 0.00 56.30 56.14 1mel h ASN 103 Cb 0.57 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.48 1mel h ASN 103 CO 0.17 1.63 -0.12 0.61 -1.29 0.00 0.00 177.43 178.43 1mel n GLY 104 N 1.74 -1.94 0.00 1.57 0.00 -1.02 -3.91 105.19 101.63 1mel n GLY 104 Ca -0.26 -1.34 0.14 0.00 0.00 0.00 0.00 46.02 44.56 1mel n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1mel n MET 105 N -1.68 0.88 0.00 1.61 2.81 -1.26 -2.92 117.12 116.56 1mel n MET 105 Ca 0.00 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.96 1mel n MET 105 Cb 0.16 -1.50 0.34 0.00 -0.71 0.00 0.00 33.22 31.50 1mel n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1mel n ASN 106 N -1.00 0.00 -0.12 7.83 3.02 -1.25 -1.68 115.26 122.06 1mel n ASN 106 Ca 0.21 -0.03 -0.03 0.00 -0.03 0.00 0.00 54.58 54.71 1mel n ASN 106 Cb 0.10 -0.21 0.19 0.00 -0.61 0.00 0.00 39.78 39.25 1mel n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mel h ALA 107 N 2.66 1.21 -2.34 5.41 0.00 -1.71 -3.38 119.26 121.12 1mel h ALA 107 Ca 0.00 -0.21 -0.63 0.00 0.00 0.00 0.00 54.91 54.07 1mel h ALA 107 Cb 0.09 -0.21 -0.13 0.00 0.00 0.00 0.00 17.79 17.54 1mel h ALA 107 CO 0.00 0.54 0.15 -1.58 0.00 0.00 0.00 179.25 178.36 1mel s TRP 108 N -5.18 3.17 0.33 0.00 0.51 -0.67 -4.93 118.94 112.16 1mel s TRP 108 Ca -0.10 0.42 0.10 0.00 -2.12 0.00 0.00 56.10 54.40 1mel s TRP 108 Cb 0.15 -3.11 0.58 0.00 -0.81 0.00 0.00 33.47 30.29 1mel s TRP 108 CO 0.80 -0.59 1.76 0.28 -0.51 0.00 0.00 176.95 178.69 1mel h VAL 109 N 5.64 1.29 0.00 4.03 2.07 -1.84 -2.27 116.25 125.17 1mel h VAL 109 Ca -0.26 -1.42 -0.07 0.00 0.82 0.00 0.00 66.70 65.78 1mel h VAL 109 Cb 1.11 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1mel h VAL 109 CO 0.83 0.41 -0.31 0.00 0.02 0.00 0.00 177.57 178.52 1mel h ALA 110 N 1.51 1.40 -0.08 1.67 0.00 -1.94 0.92 119.26 122.73 1mel h ALA 110 Ca 0.01 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1mel h ALA 110 Cb 0.74 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1mel h ALA 110 CO 0.06 0.39 -0.27 2.35 0.00 0.00 0.00 179.25 181.78 1mel h TRP 111 N 0.00 0.42 -0.32 0.00 7.01 -1.77 0.08 115.95 121.37 1mel h TRP 111 Ca -0.00 -0.17 0.07 0.00 2.11 0.00 0.00 58.89 60.90 1mel h TRP 111 Cb 0.58 -0.07 -0.08 0.00 -2.10 0.00 0.00 29.16 27.49 1mel h TRP 111 CO 0.00 0.89 -0.22 -0.09 -2.79 0.00 0.00 178.44 176.22 1mel h ARG 112 N -0.17 -0.18 0.05 2.65 2.43 -0.81 0.43 114.38 118.77 1mel h ARG 112 Ca -0.01 0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 58.97 1mel h ARG 112 Cb 0.90 0.04 0.02 0.00 -0.42 0.00 0.00 29.97 30.51 1mel h ARG 112 CO 0.06 -0.12 -0.81 -0.91 -1.51 0.00 0.00 179.97 176.68 1mel h ASN 113 N -0.19 0.62 0.24 -3.80 2.35 -0.83 -3.26 115.58 110.71 1mel h ASN 113 Ca 0.16 -0.81 0.00 0.00 -0.55 0.00 0.00 56.30 55.10 1mel h ASN 113 Cb 0.44 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1mel h ASN 113 CO -0.43 1.36 -1.64 0.54 -1.65 0.00 0.00 177.43 175.61 1mel n ARG 114 N -4.09 0.57 -0.01 0.81 5.12 0.01 -4.78 116.66 114.29 1mel n ARG 114 Ca -0.12 -0.10 -0.02 0.00 -1.93 0.00 0.00 57.85 55.68 1mel n ARG 114 Cb 0.78 -1.59 -0.01 0.00 -1.16 0.00 0.00 32.46 30.49 1mel n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1mel n LYS 116 N -2.76 1.90 -0.93 0.00 4.81 0.12 -0.86 118.16 120.44 1mel n LYS 116 Ca -0.04 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 1mel n LYS 116 Cb 0.53 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.15 1mel n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mel n GLY 117 N 3.34 0.73 3.92 3.14 0.00 -1.26 -4.88 105.19 110.18 1mel n GLY 117 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 1mel n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mel s THR 118 N -2.86 2.00 -1.46 2.61 2.01 -0.04 -5.00 115.64 112.91 1mel s THR 118 Ca 0.00 -1.37 -0.13 0.00 0.31 0.00 0.00 61.69 60.50 1mel s THR 118 Cb 0.00 -2.37 0.04 0.00 0.01 0.00 0.00 72.50 70.18 1mel s THR 118 CO 0.00 0.00 2.28 -0.67 -0.69 0.00 0.00 174.62 175.54 1mel n ASP 119 N -1.79 4.63 0.33 3.53 2.03 -1.26 -4.72 116.55 119.29 1mel n ASP 119 Ca 0.03 -2.85 0.20 0.00 0.52 0.00 0.00 54.79 52.70 1mel n ASP 119 Cb 0.63 -1.62 1.09 0.00 -0.72 0.00 0.00 41.12 40.50 1mel n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1mel h VAL 120 N 3.83 0.08 0.00 5.18 -1.51 -1.89 0.76 116.25 122.70 1mel h VAL 120 Ca 0.59 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.06 1mel h VAL 120 Cb 0.59 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 1mel h VAL 120 CO 1.84 0.00 0.00 1.67 -1.23 0.00 0.00 177.57 179.85 1mel n GLN 121 N -3.16 0.26 0.24 5.19 -0.06 -1.26 -2.18 117.38 116.41 1mel n GLN 121 Ca -0.02 0.10 0.16 0.00 -2.00 0.00 0.00 57.00 55.23 1mel n GLN 121 Cb 0.15 -1.50 0.63 0.00 -4.06 0.00 0.00 30.24 25.46 1mel n GLN 121 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1mel h ALA 122 N 2.94 1.00 0.00 1.69 0.00 -1.21 -1.44 119.26 122.25 1mel h ALA 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1mel h ALA 122 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1mel h ALA 122 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 179.25 177.76 1mel h TRP 123 N 0.00 0.00 0.00 0.00 4.06 -1.64 -3.19 115.95 115.18 1mel h TRP 123 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1mel h TRP 123 Cb 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.65 1mel h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1mel n ILE 124 N -2.87 0.44 -2.15 1.49 -5.35 -1.05 -4.68 119.36 105.19 1mel n ILE 124 Ca 0.04 -0.66 -0.42 0.00 -0.27 0.00 0.00 62.75 61.44 1mel n ILE 124 Cb 0.48 0.84 -0.03 0.00 -1.74 0.00 0.00 39.64 39.19 1mel n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1mel s ARG 125 N -0.44 4.28 0.00 6.28 3.52 -0.57 -2.48 118.95 129.54 1mel s ARG 125 Ca 0.00 2.06 0.00 0.00 -0.13 0.00 0.00 55.73 57.66 1mel s ARG 125 Cb 0.00 -3.49 0.00 0.00 -1.56 0.00 0.00 34.95 29.90 1mel s ARG 125 CO 0.00 -0.57 0.00 0.41 -0.81 0.00 0.00 175.30 174.33 1mel n GLY 126 N 3.67 0.67 0.15 8.12 0.00 -1.26 -5.02 105.19 111.53 1mel n GLY 126 Ca 0.13 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.31 1mel n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32