#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ivm s VAL 2 N 0.00 4.78 -0.03 -0.18 0.11 -1.26 0.23 120.40 124.05 1ivm s VAL 2 Ca 0.00 -0.22 0.01 0.00 -2.93 0.00 0.00 61.98 58.83 1ivm s VAL 2 Cb 0.00 -4.32 0.02 0.00 -1.53 0.00 0.00 36.38 30.56 1ivm s VAL 2 CO 0.00 -0.81 -0.00 -0.31 -3.33 0.00 0.00 175.10 170.64 1ivm s TYR 3 N 2.90 0.33 0.47 1.54 2.02 0.98 -4.91 117.35 120.68 1ivm s TYR 3 Ca 0.19 -0.01 0.03 0.00 -0.37 0.00 0.00 57.07 56.91 1ivm s TYR 3 Cb -0.17 -0.40 -0.03 0.00 -0.40 0.00 0.00 41.96 40.96 1ivm s TYR 3 CO 0.15 -0.12 0.02 -1.83 -1.57 0.00 0.00 175.55 172.19 1ivm s GLU 4 N 0.92 2.08 0.09 -0.62 -1.05 -1.26 0.23 118.70 119.09 1ivm s GLU 4 Ca -0.09 -2.28 -0.17 0.00 -0.15 0.00 0.00 54.97 52.27 1ivm s GLU 4 Cb -0.13 -1.45 -0.04 0.00 -0.44 0.00 0.00 34.13 32.07 1ivm s GLU 4 CO -0.01 -0.28 0.94 2.89 0.95 0.00 0.00 175.26 179.75 1ivm n ARG 5 N -1.13 -0.25 0.00 -4.83 -4.01 -1.26 0.14 116.66 105.33 1ivm n ARG 5 Ca -0.13 0.92 0.00 0.00 -1.04 0.00 0.00 57.85 57.60 1ivm n ARG 5 Cb 0.67 -1.36 0.00 0.00 -3.04 0.00 0.00 32.46 28.73 1ivm n ARG 5 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1ivm n GLU 7 N -0.66 -0.11 -0.35 0.00 1.02 -0.62 0.12 120.64 120.04 1ivm n GLU 7 Ca 0.00 0.81 0.05 0.00 -0.02 0.00 0.00 57.16 57.99 1ivm n GLU 7 Cb 0.00 -1.20 0.12 0.00 -0.02 0.00 0.00 31.44 30.34 1ivm n GLU 7 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ivm n PHE 8 N -3.46 0.30 0.33 -0.32 -0.00 0.37 0.56 117.46 115.24 1ivm n PHE 8 Ca 0.00 1.16 -0.17 0.00 -0.00 0.00 0.00 57.45 58.45 1ivm n PHE 8 Cb 0.06 -1.02 -0.09 0.00 -0.00 0.00 0.00 39.48 38.43 1ivm n PHE 8 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1ivm h ALA 9 N 1.82 -0.81 -0.30 3.13 0.00 0.43 0.15 119.26 123.68 1ivm h ALA 9 Ca 0.44 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1ivm h ALA 9 Cb 0.68 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 1ivm h ALA 9 CO -0.98 -0.93 -0.44 -0.09 0.00 0.00 0.00 179.25 176.81 1ivm h ARG 10 N -0.85 -0.38 -0.18 0.00 2.43 0.32 0.14 114.38 115.87 1ivm h ARG 10 Ca -0.08 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1ivm h ARG 10 Cb 0.63 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.22 1ivm h ARG 10 CO 0.14 -0.26 -0.18 1.15 -1.51 0.00 0.00 179.97 179.31 1ivm h THR 11 N -0.40 0.52 -0.48 0.20 2.02 0.20 0.89 112.91 115.86 1ivm h THR 11 Ca 0.11 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.38 1ivm h THR 11 Cb 0.60 0.52 -0.10 0.00 -1.74 0.00 0.00 68.15 67.43 1ivm h THR 11 CO -0.51 0.00 -0.31 0.25 0.37 0.00 0.00 175.52 175.32 1ivm h LEU 12 N -0.21 -1.05 -1.54 2.58 5.85 0.40 2.05 115.31 123.38 1ivm h LEU 12 Ca 0.11 0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.98 1ivm h LEU 12 Cb 0.38 0.51 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1ivm h LEU 12 CO -0.30 -0.30 -0.24 0.50 -0.34 0.00 0.00 178.44 177.76 1ivm h LYS 13 N -0.20 0.00 0.00 1.25 3.11 0.04 0.60 116.57 121.37 1ivm h LYS 13 Ca 0.20 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.95 1ivm h LYS 13 Cb 0.53 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 1ivm h LYS 13 CO -0.59 0.24 -0.44 -0.09 -2.81 0.00 0.00 179.45 175.75 1ivm h ARG 14 N 0.00 0.00 0.11 1.90 2.43 0.78 -3.26 114.38 116.34 1ivm h ARG 14 Ca -0.00 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.84 1ivm h ARG 14 Cb 0.49 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1ivm h ARG 14 CO 0.03 0.44 -1.77 -0.97 -1.51 0.00 0.00 179.97 176.20 1ivm h ASN 15 N 0.00 0.36 0.00 -3.80 -1.24 0.40 -3.50 115.58 107.80 1ivm h ASN 15 Ca -0.00 -0.86 0.00 0.00 0.71 0.00 0.00 56.30 56.14 1ivm h ASN 15 Cb 1.17 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 40.10 1ivm h ASN 15 CO 0.06 1.76 0.00 0.61 -1.29 0.00 0.00 177.43 178.57 1ivm n GLY 16 N 1.85 0.86 0.04 1.57 0.00 0.20 -5.03 105.19 104.68 1ivm n GLY 16 Ca -0.30 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.67 1ivm n GLY 16 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ivm n MET 17 N 0.00 2.31 -2.05 1.61 0.00 -0.96 -5.01 117.12 113.01 1ivm n MET 17 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.35 1ivm n MET 17 Cb 0.00 -1.22 0.03 0.00 0.00 0.00 0.00 33.22 32.03 1ivm n MET 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ivm s ALA 18 N -2.21 2.57 0.00 -5.12 0.00 -1.25 -3.12 121.76 112.63 1ivm s ALA 18 Ca -0.06 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1ivm s ALA 18 Cb 0.03 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1ivm s ALA 18 CO 0.34 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.44 1ivm n GLY 19 N 0.27 0.60 2.99 0.00 0.00 -1.23 -4.81 105.19 103.02 1ivm n GLY 19 Ca 0.13 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 1ivm n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ivm n TYR 20 N -2.75 -1.80 -0.30 1.61 9.36 -0.79 -4.72 117.16 117.77 1ivm n TYR 20 Ca 0.00 0.28 -0.04 0.00 3.32 0.00 0.00 57.90 61.46 1ivm n TYR 20 Cb 0.00 -1.41 -0.01 0.00 -0.63 0.00 0.00 39.34 37.29 1ivm n TYR 20 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1ivm n TYR 21 N -3.95 -0.12 0.02 2.98 4.01 -1.26 -4.20 117.16 114.63 1ivm n TYR 21 Ca 0.02 0.94 -0.00 0.00 -0.16 0.00 0.00 57.90 58.70 1ivm n TYR 21 Cb 0.39 -0.69 -0.00 0.00 -0.31 0.00 0.00 39.34 38.72 1ivm n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ivm n GLY 22 N -1.29 0.03 3.36 2.72 0.00 -1.26 -4.99 105.19 103.76 1ivm n GLY 22 Ca 0.05 -0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.51 1ivm n GLY 22 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ivm n VAL 23 N -2.88 0.10 -2.80 1.61 3.14 -1.26 -4.90 118.33 111.34 1ivm n VAL 23 Ca -0.00 -0.13 -0.24 0.00 -2.96 0.00 0.00 64.34 61.01 1ivm n VAL 23 Cb 0.01 -1.07 0.02 0.00 -1.06 0.00 0.00 33.84 31.73 1ivm n VAL 23 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1ivm s SER 24 N 6.58 5.74 0.26 6.55 0.01 -1.26 -1.88 113.70 129.70 1ivm s SER 24 Ca 1.14 0.40 -0.01 0.00 1.31 0.00 0.00 55.95 58.79 1ivm s SER 24 Cb -1.18 -1.55 0.57 0.00 0.21 0.00 0.00 66.02 64.07 1ivm s SER 24 CO 0.58 -0.83 1.71 0.25 0.41 0.00 0.00 173.24 175.36 1ivm h LEU 25 N 0.22 0.24 -0.71 2.44 5.85 -1.90 0.53 115.31 121.98 1ivm h LEU 25 Ca -0.46 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 1ivm h LEU 25 Cb 1.26 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.38 1ivm h LEU 25 CO 0.58 0.03 0.43 0.00 -0.34 0.00 0.00 178.44 179.14 1ivm h ALA 26 N 1.63 0.90 -0.84 1.25 0.00 -1.93 0.39 119.26 120.66 1ivm h ALA 26 Ca 0.48 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 1ivm h ALA 26 Cb 0.82 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1ivm h ALA 26 CO -0.48 0.37 0.40 -0.44 0.00 0.00 0.00 179.25 179.10 1ivm h ASP 27 N 0.96 1.10 0.68 0.00 3.32 -0.52 0.72 116.42 122.68 1ivm h ASP 27 Ca 0.25 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1ivm h ASP 27 Cb -0.04 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.24 1ivm h ASP 27 CO -0.05 0.93 -0.32 -0.50 -1.72 0.00 0.00 179.24 177.57 1ivm h TRP 28 N 1.19 -0.84 -0.05 4.55 4.06 0.50 0.63 115.95 125.99 1ivm h TRP 28 Ca 0.29 -0.02 0.03 0.00 2.06 0.00 0.00 58.89 61.25 1ivm h TRP 28 Cb 0.12 0.28 -0.06 0.00 -1.00 0.00 0.00 29.16 28.50 1ivm h TRP 28 CO 0.01 -0.52 -0.47 0.28 -3.56 0.00 0.00 178.44 174.18 1ivm h VAL 29 N -1.13 0.08 -0.84 1.49 2.07 -0.15 1.14 116.25 118.91 1ivm h VAL 29 Ca -0.09 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.58 1ivm h VAL 29 Cb 0.70 0.08 -0.10 0.00 -1.52 0.00 0.00 31.29 30.45 1ivm h VAL 29 CO 0.15 0.00 0.43 0.00 0.02 0.00 0.00 177.57 178.17 1ivm h LEU 31 N 0.60 -1.12 -2.68 0.00 5.85 0.28 0.24 115.31 118.48 1ivm h LEU 31 Ca 0.46 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.23 1ivm h LEU 31 Cb 0.67 0.30 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 1ivm h LEU 31 CO -0.37 -0.78 0.03 0.00 -0.34 0.00 0.00 178.44 176.98 1ivm h ALA 32 N -1.22 1.29 0.24 1.25 0.00 0.23 -0.73 119.26 120.32 1ivm h ALA 32 Ca -0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1ivm h ALA 32 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ivm h ALA 32 CO 0.20 -0.04 -0.12 0.37 0.00 0.00 0.00 179.25 179.66 1ivm h GLN 33 N 0.00 -0.32 0.00 0.00 -0.00 0.27 -0.91 115.11 114.16 1ivm h GLN 33 Ca 0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1ivm h GLN 33 Cb 0.08 0.07 -0.00 0.00 0.00 0.00 0.00 27.48 27.63 1ivm h GLN 33 CO -0.00 0.03 -0.02 1.25 0.00 0.00 0.00 178.83 180.09 1ivm h HIS 34 N -0.92 0.00 0.24 3.99 2.76 0.10 -2.92 115.15 118.40 1ivm h HIS 34 Ca -0.03 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.12 1ivm h HIS 34 Cb 0.50 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.46 1ivm h HIS 34 CO 0.05 0.02 -0.12 0.93 -1.30 0.00 0.00 177.93 177.52 1ivm h GLU 35 N 0.00 -0.31 0.00 5.26 4.39 -1.09 -3.48 114.58 119.34 1ivm h GLU 35 Ca -0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1ivm h GLU 35 Cb 0.06 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1ivm h GLU 35 CO 0.00 -0.21 0.00 0.43 -1.16 0.00 0.00 179.01 178.07 1ivm n SER 36 N -3.98 0.00 -4.76 1.42 7.64 -0.44 -4.99 113.62 108.52 1ivm n SER 36 Ca -0.04 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.43 1ivm n SER 36 Cb 0.13 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.31 1ivm n SER 36 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ivm s ASN 37 N 0.00 6.44 0.00 6.43 4.22 -0.64 -4.69 114.94 126.70 1ivm s ASN 37 Ca 0.00 2.90 0.00 0.00 -2.14 0.00 0.00 52.86 53.62 1ivm s ASN 37 Cb 0.00 -2.64 0.00 0.00 1.28 0.00 0.00 41.25 39.89 1ivm s ASN 37 CO 0.00 -0.85 0.00 0.00 -2.04 0.00 0.00 177.10 174.21 1ivm n TYR 38 N 1.81 0.00 -3.46 1.54 0.18 0.62 -4.83 117.16 113.02 1ivm n TYR 38 Ca 0.06 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.46 1ivm n TYR 38 Cb 0.38 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.28 1ivm n TYR 38 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 1ivm s ASN 39 N -4.00 6.84 -0.31 9.48 -0.87 -1.26 0.33 114.94 125.16 1ivm s ASN 39 Ca 0.00 1.00 -0.04 0.00 -1.57 0.00 0.00 52.86 52.25 1ivm s ASN 39 Cb 0.00 -2.27 -0.11 0.00 -0.02 0.00 0.00 41.25 38.85 1ivm s ASN 39 CO 0.00 0.30 2.14 0.35 -2.57 0.00 0.00 177.10 177.32 1ivm n THR 40 N 1.88 1.86 0.90 1.60 -2.24 0.13 -3.95 114.28 114.47 1ivm n THR 40 Ca -0.13 -1.01 0.12 0.00 -2.27 0.00 0.00 64.05 60.75 1ivm n THR 40 Cb 0.52 -1.89 0.11 0.00 -2.10 0.00 0.00 70.33 66.97 1ivm n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1ivm n ARG 41 N 3.26 2.24 -1.53 -0.78 0.63 -1.26 -4.72 116.66 114.49 1ivm n ARG 41 Ca 0.30 -1.92 -0.35 0.00 -0.92 0.00 0.00 57.85 54.97 1ivm n ARG 41 Cb 0.36 -1.45 -0.08 0.00 0.45 0.00 0.00 32.46 31.75 1ivm n ARG 41 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ivm n ALA 42 N 1.32 0.62 -3.67 5.13 0.00 -1.25 -4.86 120.51 117.80 1ivm n ALA 42 Ca 0.14 -0.80 -0.18 0.00 0.00 0.00 0.00 53.44 52.60 1ivm n ALA 42 Cb 0.58 -2.92 -0.16 0.00 0.00 0.00 0.00 19.45 16.94 1ivm n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ivm s THR 43 N 11.08 -0.22 -0.31 0.00 -4.23 -1.26 0.54 115.64 121.24 1ivm s THR 43 Ca 1.10 0.37 0.02 0.00 -1.18 0.00 0.00 61.69 62.00 1ivm s THR 43 Cb -0.50 -0.25 0.15 0.00 1.34 0.00 0.00 72.50 73.24 1ivm s THR 43 CO 0.32 0.15 0.38 0.21 -0.54 0.00 0.00 174.62 175.15 1ivm s ASN 44 N 2.26 0.85 0.48 3.99 3.84 0.16 -4.97 114.94 121.54 1ivm s ASN 44 Ca 0.04 -0.79 -0.05 0.00 0.21 0.00 0.00 52.86 52.27 1ivm s ASN 44 Cb -0.12 0.85 -0.03 0.00 -0.55 0.00 0.00 41.25 41.40 1ivm s ASN 44 CO -0.05 -0.33 0.77 -0.72 -2.79 0.00 0.00 177.10 173.98 1ivm s TYR 45 N 2.20 3.53 -0.30 0.43 1.13 -1.26 0.22 117.35 123.30 1ivm s TYR 45 Ca 0.12 0.75 0.00 0.00 -1.41 0.00 0.00 57.07 56.52 1ivm s TYR 45 Cb -0.13 -2.30 0.19 0.00 -1.10 0.00 0.00 41.96 38.63 1ivm s TYR 45 CO -0.24 -0.28 0.66 -0.80 -2.51 0.00 0.00 175.55 172.38 1ivm s ASN 46 N -4.12 -1.36 0.16 -0.18 0.01 0.94 -4.87 114.94 105.53 1ivm s ASN 46 Ca 0.47 0.49 -0.02 0.00 -0.71 0.00 0.00 52.86 53.10 1ivm s ASN 46 Cb -0.10 1.99 0.01 0.00 0.41 0.00 0.00 41.25 43.56 1ivm s ASN 46 CO 0.44 -0.25 1.39 -0.09 -1.51 0.00 0.00 177.10 177.08 1ivm h ARG 47 N 7.95 0.38 -0.99 -0.60 2.43 -1.95 0.20 114.38 121.80 1ivm h ARG 47 Ca -0.12 -0.35 0.41 0.00 -0.81 0.00 0.00 59.98 59.11 1ivm h ARG 47 Cb 1.17 0.08 -0.18 0.00 -0.42 0.00 0.00 29.97 30.63 1ivm h ARG 47 CO 0.16 1.00 0.53 0.41 -1.51 0.00 0.00 179.97 180.57 1ivm n GLY 48 N 0.70 -0.74 0.77 2.80 0.00 -1.26 0.20 105.19 107.65 1ivm n GLY 48 Ca -0.05 0.80 0.02 0.00 0.00 0.00 0.00 46.02 46.80 1ivm n GLY 48 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ivm n ASP 49 N -5.24 2.09 -3.51 1.61 2.03 -1.22 -4.96 116.55 107.35 1ivm n ASP 49 Ca 0.37 -3.89 -0.20 0.00 0.52 0.00 0.00 54.79 51.59 1ivm n ASP 49 Cb 1.27 -0.51 -0.06 0.00 -0.72 0.00 0.00 41.12 41.11 1ivm n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ivm n GLN 50 N -1.07 -0.93 -3.97 -0.67 10.64 0.52 -4.85 117.38 117.05 1ivm n GLN 50 Ca 0.22 0.06 -0.09 0.00 -1.83 0.00 0.00 57.00 55.36 1ivm n GLN 50 Cb 0.72 -2.30 -0.10 0.00 -0.86 0.00 0.00 30.24 27.71 1ivm n GLN 50 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 1ivm s SER 51 N -3.45 0.24 -0.04 2.61 0.01 0.69 -4.66 113.70 109.09 1ivm s SER 51 Ca 0.13 -0.59 -0.02 0.00 1.31 0.00 0.00 55.95 56.78 1ivm s SER 51 Cb -0.07 0.19 0.03 0.00 0.21 0.00 0.00 66.02 66.38 1ivm s SER 51 CO 0.60 -0.47 0.09 -0.89 0.41 0.00 0.00 173.24 172.98 1ivm s THR 52 N -2.49 -0.04 -0.65 1.44 2.01 -1.26 -0.04 115.64 114.60 1ivm s THR 52 Ca -0.06 0.16 -0.16 0.00 0.31 0.00 0.00 61.69 61.94 1ivm s THR 52 Cb -0.02 -0.16 0.16 0.00 0.01 0.00 0.00 72.50 72.49 1ivm s THR 52 CO -0.04 0.06 0.62 -1.81 -0.69 0.00 0.00 174.62 172.76 1ivm s ASP 53 N 0.92 6.40 0.21 3.53 1.01 0.60 0.24 116.67 129.58 1ivm s ASP 53 Ca -0.07 -2.09 0.09 0.00 0.71 0.00 0.00 52.55 51.19 1ivm s ASP 53 Cb -0.10 -2.22 -0.05 0.00 1.01 0.00 0.00 42.92 41.57 1ivm s ASP 53 CO -0.04 -0.78 -0.16 -0.31 0.21 0.00 0.00 175.17 174.09 1ivm s TYR 54 N 1.19 1.81 0.00 4.23 1.51 0.16 0.37 117.35 126.62 1ivm s TYR 54 Ca 0.09 -0.52 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 1ivm s TYR 54 Cb -0.22 -0.84 0.00 0.00 -0.11 0.00 0.00 41.96 40.79 1ivm s TYR 54 CO -0.01 0.41 0.00 0.41 -1.11 0.00 0.00 175.55 175.25 1ivm n GLY 55 N -0.32 2.41 0.37 0.71 0.00 0.19 0.85 105.19 109.39 1ivm n GLY 55 Ca -0.08 -1.77 0.10 0.00 0.00 0.00 0.00 46.02 44.27 1ivm n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ivm h ILE 56 N 0.00 0.86 -0.34 -0.61 2.10 -1.81 0.56 117.51 118.28 1ivm h ILE 56 Ca 0.00 -0.27 -0.09 0.00 1.08 0.00 0.00 64.86 65.58 1ivm h ILE 56 Cb 0.00 0.00 -0.05 0.00 -1.09 0.00 0.00 36.82 35.68 1ivm h ILE 56 CO 0.00 0.14 0.11 0.49 -1.08 0.00 0.00 178.15 177.82 1ivm n PHE 57 N -4.58 1.14 -3.80 2.19 3.72 -1.26 -4.43 117.46 110.43 1ivm n PHE 57 Ca 0.18 -0.62 -0.28 0.00 -0.05 0.00 0.00 57.45 56.68 1ivm n PHE 57 Cb 0.43 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 1ivm n PHE 57 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1ivm n GLN 58 N 0.09 -1.21 -3.47 -1.08 -0.06 0.19 -4.90 117.38 106.95 1ivm n GLN 58 Ca 0.18 0.56 -0.38 0.00 -2.00 0.00 0.00 57.00 55.36 1ivm n GLN 58 Cb 0.82 -2.11 -0.06 0.00 -4.06 0.00 0.00 30.24 24.83 1ivm n GLN 58 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1ivm s ILE 59 N -3.07 5.03 -0.04 1.69 1.01 0.25 -4.75 121.20 121.32 1ivm s ILE 59 Ca 0.10 0.86 -0.30 0.00 0.00 0.00 0.00 60.65 61.31 1ivm s ILE 59 Cb -0.05 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 1ivm s ILE 59 CO 0.86 0.55 1.01 0.21 0.00 0.00 0.00 174.94 177.57 1ivm s ASN 60 N -0.88 7.30 -0.05 3.58 3.84 -1.25 0.37 114.94 127.85 1ivm s ASN 60 Ca 0.24 1.63 0.07 0.00 0.21 0.00 0.00 52.86 55.01 1ivm s ASN 60 Cb -0.17 -2.56 0.30 0.00 -0.55 0.00 0.00 41.25 38.27 1ivm s ASN 60 CO 0.13 -0.36 1.11 -1.20 -2.79 0.00 0.00 177.10 174.00 1ivm n SER 61 N 4.39 2.29 0.01 -4.21 7.64 0.65 -2.57 113.62 121.82 1ivm n SER 61 Ca 0.07 -2.20 0.12 0.00 1.01 0.00 0.00 58.87 57.88 1ivm n SER 61 Cb 0.50 -0.40 0.24 0.00 -1.01 0.00 0.00 64.21 63.55 1ivm n SER 61 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1ivm n ARG 62 N 0.32 0.08 0.00 1.43 -4.01 -1.26 -4.60 116.66 108.61 1ivm n ARG 62 Ca 0.11 0.02 0.00 0.00 -1.04 0.00 0.00 57.85 56.94 1ivm n ARG 62 Cb 0.45 -1.55 0.00 0.00 -3.04 0.00 0.00 32.46 28.33 1ivm n ARG 62 CO 0.00 0.00 0.00 0.98 -3.04 0.00 0.00 177.63 175.57 1ivm n TYR 63 N -1.66 0.00 -3.55 2.89 9.36 -1.23 -3.63 117.16 119.35 1ivm n TYR 63 Ca 0.05 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.91 1ivm n TYR 63 Cb 0.36 0.39 -0.06 0.00 -0.63 0.00 0.00 39.34 39.41 1ivm n TYR 63 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1ivm s TRP 64 N -1.80 3.62 0.58 2.98 0.51 -1.06 0.20 118.94 123.96 1ivm s TRP 64 Ca 0.00 0.85 0.00 0.00 -2.12 0.00 0.00 56.10 54.83 1ivm s TRP 64 Cb 0.00 -2.20 0.00 0.00 -0.81 0.00 0.00 33.47 30.46 1ivm s TRP 64 CO 0.00 0.54 0.00 0.00 -0.51 0.00 0.00 176.95 176.98 1ivm n ASN 66 N -4.29 -0.28 0.08 0.00 4.13 -0.83 -3.90 115.26 110.16 1ivm n ASN 66 Ca -0.09 -1.46 0.00 0.00 1.68 0.00 0.00 54.58 54.71 1ivm n ASN 66 Cb 0.65 0.55 0.00 0.00 -1.54 0.00 0.00 39.78 39.43 1ivm n ASN 66 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1ivm n ASP 67 N -2.19 -0.04 0.00 6.41 -0.08 -1.26 -2.40 116.55 116.99 1ivm n ASP 67 Ca 0.01 0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.55 1ivm n ASP 67 Cb 0.14 0.20 0.00 0.00 2.34 0.00 0.00 41.12 43.80 1ivm n ASP 67 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ivm n GLY 68 N 1.67 1.12 0.10 0.27 0.00 -1.26 -4.96 105.19 102.13 1ivm n GLY 68 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1ivm n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ivm n LYS 69 N -0.10 0.61 -3.87 1.61 4.01 -1.26 -4.64 118.16 114.53 1ivm n LYS 69 Ca 0.00 0.07 -0.30 0.00 -0.51 0.00 0.00 58.31 57.57 1ivm n LYS 69 Cb 0.00 -1.78 -0.14 0.00 -0.51 0.00 0.00 35.03 32.60 1ivm n LYS 69 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 1ivm s THR 70 N -3.39 1.86 -0.97 -0.18 -1.32 -1.26 -5.00 115.64 105.38 1ivm s THR 70 Ca -0.02 -2.47 -0.07 0.00 -1.21 0.00 0.00 61.69 57.92 1ivm s THR 70 Cb 0.10 -2.34 -0.10 0.00 -1.51 0.00 0.00 72.50 68.66 1ivm s THR 70 CO 0.81 -0.74 2.55 -0.81 -2.21 0.00 0.00 174.62 174.22 1ivm n PRO 71 N 3.88 2.51 0.00 7.08 -0.04 -1.26 -3.24 135.00 143.93 1ivm n PRO 71 Ca 0.04 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 61.94 1ivm n PRO 71 Cb 0.37 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 1ivm n PRO 71 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1ivm n ARG 72 N 3.67 0.00 -0.50 0.54 3.00 -1.26 -5.11 116.66 117.00 1ivm n ARG 72 Ca 0.54 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 58.14 1ivm n ARG 72 Cb 0.28 -0.28 0.19 0.00 0.00 0.00 0.00 32.46 32.64 1ivm n ARG 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ivm n ALA 73 N -2.09 -2.56 -3.13 5.13 0.00 -1.20 -4.99 120.51 111.68 1ivm n ALA 73 Ca 0.00 -1.29 -0.19 0.00 0.00 0.00 0.00 53.44 51.96 1ivm n ALA 73 Cb 0.05 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 1ivm n ALA 73 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1ivm n VAL 74 N -4.73 -0.35 -1.50 0.00 3.14 -1.24 -5.02 118.33 108.63 1ivm n VAL 74 Ca 0.06 -3.93 -0.41 0.00 -2.96 0.00 0.00 64.34 57.10 1ivm n VAL 74 Cb 0.48 -0.66 -0.15 0.00 -1.06 0.00 0.00 33.84 32.45 1ivm n VAL 74 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1ivm n ASN 75 N 0.80 0.31 0.24 6.55 6.94 -0.79 -4.45 115.26 124.86 1ivm n ASN 75 Ca 0.21 0.17 0.13 0.00 -0.02 0.00 0.00 54.58 55.07 1ivm n ASN 75 Cb 0.61 -0.93 0.38 0.00 -2.36 0.00 0.00 39.78 37.49 1ivm n ASN 75 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ivm h ALA 76 N 12.11 0.98 0.00 -2.53 0.00 0.19 -2.79 119.26 127.22 1ivm h ALA 76 Ca -0.05 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1ivm h ALA 76 Cb 1.31 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1ivm h ALA 76 CO 1.39 0.07 -1.37 0.00 0.00 0.00 0.00 179.25 179.35 1ivm n GLY 78 N 1.39 -0.43 3.06 0.00 0.00 -1.06 -4.90 105.19 103.26 1ivm n GLY 78 Ca -0.09 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1ivm n GLY 78 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ivm s ILE 79 N -3.34 0.35 -0.11 -0.61 -4.36 -1.26 -5.01 121.20 106.86 1ivm s ILE 79 Ca 0.27 -1.30 -0.29 0.00 -0.26 0.00 0.00 60.65 59.06 1ivm s ILE 79 Cb -0.12 -0.84 -0.04 0.00 1.25 0.00 0.00 42.46 42.72 1ivm s ILE 79 CO 0.72 -0.62 1.57 0.54 0.24 0.00 0.00 174.94 177.38 1ivm s ASN 80 N -2.03 6.67 0.56 4.36 4.22 -1.26 -1.96 114.94 125.49 1ivm s ASN 80 Ca -0.05 2.01 0.35 0.00 -2.14 0.00 0.00 52.86 53.03 1ivm s ASN 80 Cb -0.04 -2.53 1.47 0.00 1.28 0.00 0.00 41.25 41.42 1ivm s ASN 80 CO -0.03 -0.96 1.72 0.00 -2.04 0.00 0.00 177.10 175.79 1ivm h SER 82 N 0.00 0.76 -0.02 0.00 0.87 -1.88 0.37 113.55 113.66 1ivm h SER 82 Ca 0.53 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 61.10 1ivm h SER 82 Cb 2.33 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 64.14 1ivm h SER 82 CO -0.01 0.48 0.11 0.00 -0.53 0.00 0.00 176.83 176.88 1ivm h ALA 83 N 1.57 1.21 -0.35 6.23 0.00 0.19 1.31 119.26 129.41 1ivm h ALA 83 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1ivm h ALA 83 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ivm h ALA 83 CO -0.14 -0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.27 1ivm n LEU 84 N -3.16 2.58 -2.00 0.00 4.77 0.13 -3.87 117.00 115.46 1ivm n LEU 84 Ca -0.02 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.79 1ivm n LEU 84 Cb 0.18 -0.23 0.05 0.00 -2.33 0.00 0.00 43.42 41.09 1ivm n LEU 84 CO 0.20 0.58 0.07 -0.11 -1.33 0.00 0.00 177.39 176.80 1ivm n LEU 85 N 0.92 1.68 0.00 2.23 7.94 0.45 -4.36 117.00 125.85 1ivm n LEU 85 Ca 0.17 -2.78 0.00 0.00 -1.11 0.00 0.00 56.01 52.29 1ivm n LEU 85 Cb 0.45 0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.52 1ivm n LEU 85 CO 0.13 0.91 0.00 0.00 -1.11 0.00 0.00 177.39 177.33 1ivm n GLN 86 N -0.17 3.75 -0.07 1.96 10.64 -0.93 -5.00 117.38 127.57 1ivm n GLN 86 Ca 0.10 0.00 -0.05 0.00 -1.83 0.00 0.00 57.00 55.23 1ivm n GLN 86 Cb 0.96 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 30.32 1ivm n GLN 86 CO 0.00 0.00 0.00 0.38 -1.83 0.00 0.00 177.06 175.61 1ivm h ASP 87 N 0.00 0.00 -2.82 2.61 2.03 -1.92 -3.14 116.42 113.18 1ivm h ASP 87 Ca 0.00 -0.06 -0.56 0.00 -0.73 0.00 0.00 57.03 55.68 1ivm h ASP 87 Cb 0.00 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 1ivm h ASP 87 CO 0.00 0.74 1.01 -1.81 -1.03 0.00 0.00 179.24 178.15 1ivm s ASP 88 N -5.77 6.73 0.00 4.15 1.01 -1.26 -2.22 116.67 119.31 1ivm s ASP 88 Ca -0.12 1.78 0.26 0.00 0.71 0.00 0.00 52.55 55.18 1ivm s ASP 88 Cb 0.02 -2.54 1.50 0.00 1.01 0.00 0.00 42.92 42.91 1ivm s ASP 88 CO 0.20 -0.94 1.97 2.30 0.21 0.00 0.00 175.17 178.91 1ivm n ILE 89 N 5.69 0.01 -0.43 0.77 -5.35 -1.26 -3.99 119.36 114.79 1ivm n ILE 89 Ca 0.16 -0.03 0.37 0.00 -0.27 0.00 0.00 62.75 62.98 1ivm n ILE 89 Cb 0.44 -0.32 0.65 0.00 -1.74 0.00 0.00 39.64 38.68 1ivm n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ivm h THR 90 N 0.26 0.06 -0.05 7.28 1.03 -1.90 1.88 112.91 121.46 1ivm h THR 90 Ca 0.00 -0.02 -0.15 0.00 -0.01 0.00 0.00 66.41 66.23 1ivm h THR 90 Cb 0.05 0.01 0.01 0.00 -1.07 0.00 0.00 68.15 67.15 1ivm h THR 90 CO 0.00 0.01 -0.56 0.00 -0.01 0.00 0.00 175.52 174.95 1ivm h ALA 91 N 1.68 0.14 -0.79 0.00 0.00 -1.80 0.16 119.26 118.64 1ivm h ALA 91 Ca 0.85 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1ivm h ALA 91 Cb 2.61 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 20.37 1ivm h ALA 91 CO -0.51 0.38 0.53 0.00 0.00 0.00 0.00 179.25 179.64 1ivm h ALA 92 N 0.40 1.43 0.07 0.00 0.00 0.23 1.12 119.26 122.52 1ivm h ALA 92 Ca -0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ivm h ALA 92 Cb 1.24 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1ivm h ALA 92 CO 0.11 0.53 -0.03 0.82 0.00 0.00 0.00 179.25 180.68 1ivm h ILE 93 N 1.08 1.22 -0.49 0.00 2.04 0.29 0.45 117.51 122.09 1ivm h ILE 93 Ca 0.29 -1.42 0.04 0.00 1.00 0.00 0.00 64.86 64.78 1ivm h ILE 93 Cb -0.12 2.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 1ivm h ILE 93 CO -0.06 0.33 0.25 -0.61 0.00 0.00 0.00 178.15 178.05 1ivm h GLN 94 N -0.78 0.47 -0.21 2.37 4.15 -0.38 0.17 115.11 120.90 1ivm h GLN 94 Ca -0.01 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.32 1ivm h GLN 94 Cb 0.61 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 1ivm h GLN 94 CO 0.02 0.31 -0.12 0.00 -1.93 0.00 0.00 178.83 177.11 1ivm h ALA 96 N 0.69 0.18 -0.37 0.00 0.00 0.55 1.49 119.26 121.81 1ivm h ALA 96 Ca 0.04 0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1ivm h ALA 96 Cb 0.62 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1ivm h ALA 96 CO 0.03 -0.53 -0.38 1.57 0.00 0.00 0.00 179.25 179.95 1ivm h LYS 97 N -0.09 0.90 0.00 0.00 2.10 -0.60 0.13 116.57 119.01 1ivm h LYS 97 Ca 0.22 -0.48 -0.01 0.00 -2.00 0.00 0.00 60.65 58.39 1ivm h LYS 97 Cb 0.43 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1ivm h LYS 97 CO -0.53 1.13 -0.03 -0.09 -2.00 0.00 0.00 179.45 177.93 1ivm h ARG 98 N 0.71 0.00 0.00 0.07 2.43 0.19 0.70 114.38 118.48 1ivm h ARG 98 Ca 0.06 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1ivm h ARG 98 Cb 0.97 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1ivm h ARG 98 CO 0.09 0.03 -0.60 0.28 -1.51 0.00 0.00 179.97 178.26 1ivm h VAL 99 N 0.00 0.24 -0.06 0.20 2.07 0.24 -3.36 116.25 115.58 1ivm h VAL 99 Ca -0.00 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.25 1ivm h VAL 99 Cb 0.17 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1ivm h VAL 99 CO 0.00 0.08 0.08 0.58 0.02 0.00 0.00 177.57 178.33 1ivm h VAL 100 N -1.00 0.45 0.00 2.57 2.07 -0.63 0.18 116.25 119.89 1ivm h VAL 100 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1ivm h VAL 100 Cb 0.64 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1ivm h VAL 100 CO -0.04 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.09 1ivm n ARG 101 N -3.74 0.09 -0.54 1.57 1.74 0.24 -3.79 116.66 112.24 1ivm n ARG 101 Ca -0.01 0.58 -0.28 0.00 -0.77 0.00 0.00 57.85 57.36 1ivm n ARG 101 Cb 0.17 -1.80 0.26 0.00 -1.02 0.00 0.00 32.46 30.07 1ivm n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ivm s ASP 102 N -3.69 0.86 0.00 0.55 1.11 0.64 -4.79 116.67 111.35 1ivm s ASP 102 Ca -0.01 1.48 -0.04 0.00 0.18 0.00 0.00 52.55 54.16 1ivm s ASP 102 Cb 0.04 -2.28 -0.18 0.00 1.07 0.00 0.00 42.92 41.57 1ivm s ASP 102 CO 0.14 -4.27 2.72 -0.81 1.18 0.00 0.00 175.17 174.13 1ivm n PRO 103 N -4.96 1.43 0.00 8.23 -0.04 -1.26 -4.04 135.00 134.36 1ivm n PRO 103 Ca 0.03 -0.68 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 1ivm n PRO 103 Cb 0.54 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 1ivm n PRO 103 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ivm n GLN 104 N 2.53 0.00 0.00 0.54 10.64 -1.26 -5.19 117.38 124.64 1ivm n GLN 104 Ca 0.29 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.46 1ivm n GLN 104 Cb 0.66 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.04 1ivm n GLN 104 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ivm n GLY 105 N 0.33 2.96 0.69 2.61 0.00 -1.25 -4.76 105.19 105.77 1ivm n GLY 105 Ca 0.00 -1.96 0.50 0.00 0.00 0.00 0.00 46.02 44.55 1ivm n GLY 105 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ivm n ILE 106 N -1.36 0.00 -0.31 -0.61 2.08 -1.26 -0.29 119.36 117.61 1ivm n ILE 106 Ca 0.00 1.45 0.27 0.00 0.56 0.00 0.00 62.75 65.03 1ivm n ILE 106 Cb 0.00 -2.45 0.46 0.00 -0.75 0.00 0.00 39.64 36.90 1ivm n ILE 106 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1ivm n ARG 107 N -3.81 -0.03 -0.43 0.38 0.00 -1.26 0.22 116.66 111.72 1ivm n ARG 107 Ca 0.41 0.88 0.38 0.00 -0.00 0.00 0.00 57.85 59.53 1ivm n ARG 107 Cb 1.95 -1.72 0.66 0.00 0.00 0.00 0.00 32.46 33.35 1ivm n ARG 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ivm h ALA 108 N 1.15 2.66 -1.31 5.13 0.00 -1.02 0.29 119.26 126.17 1ivm h ALA 108 Ca 0.61 0.17 -0.79 0.00 0.00 0.00 0.00 54.91 54.90 1ivm h ALA 108 Cb 1.90 0.27 -0.22 0.00 0.00 0.00 0.00 17.79 19.74 1ivm h ALA 108 CO -0.36 -1.38 1.40 0.91 0.00 0.00 0.00 179.25 179.82 1ivm n TRP 109 N -4.87 2.57 -0.71 0.00 8.01 0.58 -4.78 117.44 118.24 1ivm n TRP 109 Ca 0.40 -2.65 0.54 0.00 -1.31 0.00 0.00 57.50 54.47 1ivm n TRP 109 Cb 1.49 -1.48 0.83 0.00 -2.01 0.00 0.00 31.31 30.14 1ivm n TRP 109 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 1ivm h VAL 110 N 3.02 0.00 -0.75 -0.99 2.07 -0.62 0.87 116.25 119.85 1ivm h VAL 110 Ca 0.42 -0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.09 1ivm h VAL 110 Cb 0.48 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.12 1ivm h VAL 110 CO 1.38 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 178.82 1ivm h ALA 111 N 1.01 0.56 -0.93 1.67 0.00 -1.86 1.51 119.26 121.21 1ivm h ALA 111 Ca 0.95 0.28 0.06 0.00 0.00 0.00 0.00 54.91 56.20 1ivm h ALA 111 Cb 3.80 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 22.07 1ivm h ALA 111 CO -0.01 -0.42 0.61 2.35 0.00 0.00 0.00 179.25 181.78 1ivm h TRP 112 N 0.02 1.09 0.00 0.00 7.01 0.42 0.56 115.95 125.05 1ivm h TRP 112 Ca 0.37 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.40 1ivm h TRP 112 Cb 0.59 -0.36 0.00 0.00 -2.10 0.00 0.00 29.16 27.29 1ivm h TRP 112 CO -0.56 0.58 0.00 -0.09 -2.79 0.00 0.00 178.44 175.58 1ivm h ARG 113 N 1.08 0.00 -0.10 2.65 2.43 0.20 0.73 114.38 121.37 1ivm h ARG 113 Ca 0.40 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.46 1ivm h ARG 113 Cb 0.18 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 29.57 1ivm h ARG 113 CO -0.15 0.00 -0.70 0.00 -1.51 0.00 0.00 179.97 177.61 1ivm n ALA 114 N -1.81 3.44 0.00 2.80 0.00 0.18 -4.32 120.51 120.80 1ivm n ALA 114 Ca -0.01 -3.10 0.00 0.00 0.00 0.00 0.00 53.44 50.33 1ivm n ALA 114 Cb 0.07 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1ivm n ALA 114 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ivm n HIS 115 N -0.65 -0.50 -0.09 0.00 -0.00 -0.02 -4.95 115.22 109.01 1ivm n HIS 115 Ca 0.18 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.21 1ivm n HIS 115 Cb 0.84 0.31 -0.08 0.00 -0.12 0.00 0.00 29.99 30.93 1ivm n HIS 115 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ivm n GLN 117 N -4.52 1.79 0.17 0.00 6.02 -1.10 -3.13 117.38 116.62 1ivm n GLN 117 Ca -0.22 -1.19 0.00 0.00 -0.01 0.00 0.00 57.00 55.59 1ivm n GLN 117 Cb 0.51 -2.25 0.00 0.00 1.02 0.00 0.00 30.24 29.53 1ivm n GLN 117 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1ivm n ASN 118 N 3.75 -1.50 -1.50 1.08 2.85 -1.26 -4.78 115.26 113.90 1ivm n ASN 118 Ca 0.38 0.60 0.00 0.00 -0.11 0.00 0.00 54.58 55.45 1ivm n ASN 118 Cb 0.25 1.56 0.00 0.00 1.24 0.00 0.00 39.78 42.82 1ivm n ASN 118 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1ivm n ARG 119 N -3.41 1.04 -3.07 1.20 3.00 -1.18 -5.10 116.66 109.15 1ivm n ARG 119 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.41 1ivm n ARG 119 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 1ivm n ARG 119 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1ivm s ASP 120 N -0.98 6.19 -0.10 6.15 -1.08 -1.26 -4.85 116.67 120.74 1ivm s ASP 120 Ca 0.00 -1.21 0.15 0.00 -0.52 0.00 0.00 52.55 50.97 1ivm s ASP 120 Cb 0.00 -2.32 0.61 0.00 -1.46 0.00 0.00 42.92 39.75 1ivm s ASP 120 CO 0.00 -1.13 1.49 -0.11 0.52 0.00 0.00 175.17 175.94 1ivm n LEU 121 N 6.58 4.11 0.20 -1.34 0.00 -1.26 -4.11 117.00 121.19 1ivm n LEU 121 Ca -0.08 -2.08 0.08 0.00 0.00 0.00 0.00 56.01 53.94 1ivm n LEU 121 Cb 0.44 -0.54 0.38 0.00 0.00 0.00 0.00 43.42 43.70 1ivm n LEU 121 CO 0.59 0.68 0.74 0.28 0.00 0.00 0.00 177.39 179.68 1ivm h SER 122 N 3.42 0.00 0.64 1.96 0.02 -1.93 -2.38 113.55 115.28 1ivm h SER 122 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ivm h SER 122 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1ivm h SER 122 CO 0.21 0.30 0.00 1.67 -1.14 0.00 0.00 176.83 177.87 1ivm n GLN 123 N -3.44 0.13 0.08 3.45 7.27 -1.26 -1.53 117.38 122.09 1ivm n GLN 123 Ca 0.00 0.38 -0.07 0.00 0.07 0.00 0.00 57.00 57.38 1ivm n GLN 123 Cb 0.48 -1.76 -0.04 0.00 2.41 0.00 0.00 30.24 31.33 1ivm n GLN 123 CO 0.00 0.00 0.00 -0.92 0.07 0.00 0.00 177.06 176.21 1ivm h TYR 124 N 0.00 0.09 0.12 3.69 3.20 -1.73 -3.32 116.97 119.02 1ivm h TYR 124 Ca 0.00 -0.05 -0.35 0.00 3.14 0.00 0.00 58.73 61.47 1ivm h TYR 124 Cb 0.32 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 1ivm h TYR 124 CO 0.00 0.93 -1.88 -0.84 -1.64 0.00 0.00 178.16 174.72 1ivm h ILE 125 N 0.02 0.69 -2.21 1.81 3.07 -1.55 -3.44 117.51 115.90 1ivm h ILE 125 Ca -0.02 -2.34 -0.52 0.00 1.55 0.00 0.00 64.86 63.53 1ivm h ILE 125 Cb 1.58 2.50 -0.05 0.00 -0.27 0.00 0.00 36.82 40.59 1ivm h ILE 125 CO 0.12 0.83 1.26 -0.60 -1.05 0.00 0.00 178.15 178.71 1ivm s ARG 126 N -2.54 2.87 0.00 0.16 3.52 -0.58 -2.96 118.95 119.43 1ivm s ARG 126 Ca -0.22 0.46 0.00 0.00 -0.13 0.00 0.00 55.73 55.84 1ivm s ARG 126 Cb 0.06 -4.30 0.00 0.00 -1.56 0.00 0.00 34.95 29.15 1ivm s ARG 126 CO 0.76 -2.46 0.00 0.09 -0.81 0.00 0.00 175.30 172.88 1ivm n ASN 127 N 11.51 0.00 0.20 -2.12 3.02 -1.26 -4.80 115.26 121.81 1ivm n ASN 127 Ca 0.16 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.77 1ivm n ASN 127 Cb 0.51 0.00 0.37 0.00 -0.61 0.00 0.00 39.78 40.04 1ivm n ASN 127 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ivm n GLY 129 N 0.18 1.92 0.54 0.00 0.00 -1.26 -5.12 105.19 101.44 1ivm n GLY 129 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1ivm n GLY 129 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70