#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 1.65 -0.03 -0.18 1.01 -1.26 -0.27 120.40 121.32 1ivm s VAL 2 Ca 0.00 -1.24 -0.01 0.00 0.00 0.00 0.00 61.98 60.74 1ivm s VAL 2 Cb 0.00 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.96 1ivm s VAL 2 CO 0.00 0.16 0.05 -0.31 0.00 0.00 0.00 175.10 175.00 1ivm s TYR 3 N -0.85 -0.02 0.36 5.22 1.51 0.77 -4.93 117.35 119.40 1ivm s TYR 3 Ca 0.07 0.19 0.09 0.00 -1.01 0.00 0.00 57.07 56.41 1ivm s TYR 3 Cb -0.09 -0.17 -0.06 0.00 -0.11 0.00 0.00 41.96 41.53 1ivm s TYR 3 CO 0.02 -0.09 -0.02 -1.83 -1.11 0.00 0.00 175.55 172.52 1ivm s GLU 4 N 0.92 1.97 0.05 -0.62 -1.05 -1.26 0.10 118.70 118.81 1ivm s GLU 4 Ca -0.08 -1.88 -0.09 0.00 -0.15 0.00 0.00 54.97 52.77 1ivm s GLU 4 Cb -0.11 -1.80 -0.02 0.00 -0.44 0.00 0.00 34.13 31.76 1ivm s GLU 4 CO -0.03 0.09 0.96 2.89 0.95 0.00 0.00 175.26 180.12 1ivm n ARG 5 N -0.91 -0.13 0.00 -4.83 1.85 -1.26 0.13 116.66 111.51 1ivm n ARG 5 Ca -0.04 0.95 0.00 0.00 -1.00 0.00 0.00 57.85 57.76 1ivm n ARG 5 Cb 0.64 -1.41 0.00 0.00 -1.05 0.00 0.00 32.46 30.63 1ivm n ARG 5 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ivm n GLU 7 N -1.65 -0.08 -0.33 0.00 4.71 -0.72 0.10 120.64 122.67 1ivm n GLU 7 Ca 0.00 0.78 0.03 0.00 -0.01 0.00 0.00 57.16 57.96 1ivm n GLU 7 Cb 0.00 -1.16 0.10 0.00 -1.01 0.00 0.00 31.44 29.37 1ivm n GLU 7 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1ivm h PHE 8 N 0.00 -0.61 0.23 -0.32 3.04 0.13 0.46 116.94 119.87 1ivm h PHE 8 Ca 0.03 0.09 0.01 0.00 3.98 0.00 0.00 57.97 62.07 1ivm h PHE 8 Cb 0.08 0.41 -0.03 0.00 2.56 0.00 0.00 35.95 38.97 1ivm h PHE 8 CO -0.66 -0.40 -0.29 0.00 -2.02 0.00 0.00 178.31 174.94 1ivm h ALA 9 N 1.78 -0.57 -0.00 2.41 0.00 0.46 0.36 119.26 123.69 1ivm h ALA 9 Ca 0.41 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.28 1ivm h ALA 9 Cb 0.65 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1ivm h ALA 9 CO -0.94 -0.86 -0.45 -0.09 0.00 0.00 0.00 179.25 176.91 1ivm h ARG 10 N -0.57 -0.58 -0.11 0.00 2.43 0.30 0.13 114.38 115.98 1ivm h ARG 10 Ca 0.00 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1ivm h ARG 10 Cb 0.55 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.17 1ivm h ARG 10 CO -0.10 -0.38 -0.35 1.15 -1.51 0.00 0.00 179.97 178.78 1ivm h THR 11 N -0.60 0.24 -0.52 0.20 2.02 -0.03 1.10 112.91 115.33 1ivm h THR 11 Ca 0.04 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.32 1ivm h THR 11 Cb 0.67 0.24 -0.11 0.00 -1.74 0.00 0.00 68.15 67.22 1ivm h THR 11 CO -0.33 0.00 -0.33 0.25 0.37 0.00 0.00 175.52 175.48 1ivm h LEU 12 N -0.44 -1.12 -1.79 2.58 5.85 0.23 1.86 115.31 122.48 1ivm h LEU 12 Ca 0.09 0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 1ivm h LEU 12 Cb 0.57 0.55 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 1ivm h LEU 12 CO -0.35 -0.31 -0.15 0.50 -0.34 0.00 0.00 178.44 177.78 1ivm h LYS 13 N -0.19 0.00 0.00 1.25 3.11 0.17 0.46 116.57 121.37 1ivm h LYS 13 Ca 0.21 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.98 1ivm h LYS 13 Cb 0.54 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.76 1ivm h LYS 13 CO -0.63 0.15 -0.32 -0.09 -2.81 0.00 0.00 179.45 175.76 1ivm h ARG 14 N 0.00 0.00 0.13 1.90 9.65 1.01 -3.27 114.38 123.80 1ivm h ARG 14 Ca -0.00 0.00 -0.36 0.00 -1.10 0.00 0.00 59.98 58.52 1ivm h ARG 14 Cb 0.37 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 1ivm h ARG 14 CO 0.02 0.32 -1.92 -0.97 2.80 0.00 0.00 179.97 180.21 1ivm h ASN 15 N 0.00 0.44 0.00 -3.80 -0.73 0.39 -3.49 115.58 108.38 1ivm h ASN 15 Ca -0.00 -0.94 0.00 0.00 1.87 0.00 0.00 56.30 57.23 1ivm h ASN 15 Cb 1.19 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.64 1ivm h ASN 15 CO 0.04 1.84 0.00 0.61 -0.37 0.00 0.00 177.43 179.55 1ivm n GLY 16 N 1.95 0.96 0.00 1.57 0.00 0.15 -5.04 105.19 104.78 1ivm n GLY 16 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.55 -1.46 1.61 1.56 -0.74 -4.93 117.12 113.70 1ivm n MET 17 Ca 0.00 0.00 -0.50 0.00 -0.27 0.00 0.00 57.70 56.93 1ivm n MET 17 Cb 0.00 -0.96 -0.07 0.00 2.15 0.00 0.00 33.22 34.35 1ivm n MET 17 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1ivm n ALA 18 N -2.33 1.17 0.00 -5.12 0.00 -1.22 0.23 120.51 113.23 1ivm n ALA 18 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1ivm n ALA 18 Cb 0.46 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.31 1ivm n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ivm n GLY 19 N 6.46 1.26 3.08 0.00 0.00 -1.21 -4.66 105.19 110.12 1ivm n GLY 19 Ca 0.40 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.63 -1.74 -0.27 1.61 9.36 0.13 -4.68 117.16 119.95 1ivm n TYR 20 Ca 0.00 0.46 0.07 0.00 3.32 0.00 0.00 57.90 61.75 1ivm n TYR 20 Cb 0.00 -1.44 0.15 0.00 -0.63 0.00 0.00 39.34 37.42 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 -3.62 0.35 0.04 2.98 4.01 -1.26 -3.74 117.16 115.90 1ivm n TYR 21 Ca -0.01 0.91 0.00 0.00 -0.16 0.00 0.00 57.90 58.64 1ivm n TYR 21 Cb 0.70 -0.98 0.00 0.00 -0.31 0.00 0.00 39.34 38.75 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 -1.44 -0.03 3.61 2.72 0.00 -1.26 -5.00 105.19 103.78 1ivm n GLY 22 Ca 0.14 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.66 1ivm n GLY 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ivm n VAL 23 N -3.33 0.40 -3.37 1.61 0.31 -1.25 -4.92 118.33 107.79 1ivm n VAL 23 Ca 0.00 -0.18 -0.35 0.00 -0.01 0.00 0.00 64.34 63.80 1ivm n VAL 23 Cb 0.16 -1.79 -0.06 0.00 -0.91 0.00 0.00 33.84 31.25 1ivm n VAL 23 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1ivm s SER 24 N 5.43 6.81 0.27 4.52 0.01 -1.26 0.03 113.70 129.51 1ivm s SER 24 Ca 1.00 1.06 -0.05 0.00 1.31 0.00 0.00 55.95 59.27 1ivm s SER 24 Cb -0.76 -2.28 0.53 0.00 0.21 0.00 0.00 66.02 63.72 1ivm s SER 24 CO 0.51 0.10 1.60 0.25 0.41 0.00 0.00 173.24 176.11 1ivm h LEU 25 N 3.54 -0.53 -0.85 2.44 5.85 -1.87 1.60 115.31 125.49 1ivm h LEU 25 Ca -0.49 0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.52 1ivm h LEU 25 Cb 1.19 0.45 -0.05 0.00 0.37 0.00 0.00 40.66 42.62 1ivm h LEU 25 CO 0.66 -0.27 0.55 0.00 -0.34 0.00 0.00 178.44 179.03 1ivm h ALA 26 N 1.85 1.13 -0.55 1.25 0.00 -1.93 0.19 119.26 121.20 1ivm h ALA 26 Ca 0.48 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.30 1ivm h ALA 26 Cb 0.87 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1ivm h ALA 26 CO -0.82 0.37 0.11 -0.44 0.00 0.00 0.00 179.25 178.47 1ivm h ASP 27 N 1.05 0.82 0.59 0.00 3.32 0.16 0.18 116.42 122.55 1ivm h ASP 27 Ca 0.34 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1ivm h ASP 27 Cb 0.03 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.37 1ivm h ASP 27 CO -0.12 0.82 -0.29 -0.50 -1.72 0.00 0.00 179.24 177.43 1ivm h TRP 28 N 0.83 -0.74 0.17 4.55 -0.00 0.15 0.39 115.95 121.30 1ivm h TRP 28 Ca 0.18 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.05 1ivm h TRP 28 Cb 0.34 0.24 -0.03 0.00 -0.00 0.00 0.00 29.16 29.71 1ivm h TRP 28 CO 0.02 -0.41 -0.41 0.28 -0.00 0.00 0.00 178.44 177.92 1ivm h VAL 29 N -0.98 0.00 -0.75 1.49 2.07 -0.51 1.59 116.25 119.16 1ivm h VAL 29 Ca -0.08 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.61 1ivm h VAL 29 Cb 0.66 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.31 1ivm h VAL 29 CO 0.13 0.00 0.05 0.00 0.02 0.00 0.00 177.57 177.78 1ivm h LEU 31 N 0.14 -0.29 -2.00 0.00 6.46 0.11 0.26 115.31 119.99 1ivm h LEU 31 Ca 0.42 0.01 0.47 0.00 -0.12 0.00 0.00 57.88 58.66 1ivm h LEU 31 Cb 0.74 0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 40.68 1ivm h LEU 31 CO -0.63 -0.20 1.17 0.00 -0.62 0.00 0.00 178.44 178.16 1ivm h ALA 32 N -1.83 3.54 0.12 1.25 0.00 0.31 0.81 119.26 123.45 1ivm h ALA 32 Ca -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ivm h ALA 32 Cb 0.26 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ivm h ALA 32 CO 0.05 -2.01 -0.06 0.37 0.00 0.00 0.00 179.25 177.61 1ivm h GLN 33 N 0.00 -0.15 0.00 0.00 -0.00 0.12 -1.60 115.11 113.48 1ivm h GLN 33 Ca 0.77 0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 59.43 1ivm h GLN 33 Cb 3.10 0.03 -0.00 0.00 0.00 0.00 0.00 27.48 30.62 1ivm h GLN 33 CO -0.01 0.33 -0.01 1.25 0.00 0.00 0.00 178.83 180.39 1ivm h HIS 34 N -0.77 0.00 0.11 3.99 2.76 0.40 -2.99 115.15 118.66 1ivm h HIS 34 Ca -0.02 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1ivm h HIS 34 Cb 0.55 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.51 1ivm h HIS 34 CO 0.10 0.01 -0.05 0.93 -1.30 0.00 0.00 177.93 177.62 1ivm h GLU 35 N 0.00 -0.15 0.00 5.26 4.39 -0.36 -3.49 114.58 120.24 1ivm h GLU 35 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1ivm h GLU 35 Cb 0.07 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1ivm h GLU 35 CO 0.00 -0.10 0.00 0.43 -1.16 0.00 0.00 179.01 178.18 1ivm n SER 36 N -3.25 0.00 -3.63 1.42 7.64 -0.67 -4.46 113.62 110.67 1ivm n SER 36 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1ivm n SER 36 Cb 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1ivm n SER 36 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ivm n ASN 37 N 0.00 0.00 0.00 6.43 5.15 -0.75 -4.59 115.26 121.50 1ivm n ASN 37 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1ivm n ASN 37 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1ivm n ASN 37 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1ivm n TYR 38 N -0.09 0.00 -3.03 1.20 4.01 0.29 -4.73 117.16 114.81 1ivm n TYR 38 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 1ivm n TYR 38 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 1ivm n TYR 38 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1ivm s ASN 39 N -4.00 7.22 -0.70 7.72 2.20 -1.26 0.27 114.94 126.40 1ivm s ASN 39 Ca 0.00 1.54 -0.05 0.00 -0.94 0.00 0.00 52.86 53.42 1ivm s ASN 39 Cb 0.00 -2.46 -0.06 0.00 -2.00 0.00 0.00 41.25 36.73 1ivm s ASN 39 CO 0.00 0.11 2.00 0.35 -2.94 0.00 0.00 177.10 176.62 1ivm n THR 40 N 1.14 2.08 0.11 0.54 -2.24 0.63 -3.88 114.28 112.66 1ivm n THR 40 Ca -0.04 -1.22 0.04 0.00 -2.27 0.00 0.00 64.05 60.56 1ivm n THR 40 Cb 0.50 -2.02 0.06 0.00 -2.10 0.00 0.00 70.33 66.78 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 4.06 1.37 -1.55 -0.78 3.00 -1.26 -4.90 116.66 116.61 1ivm n ARG 41 Ca 0.37 -1.37 -0.19 0.00 -0.00 0.00 0.00 57.85 56.66 1ivm n ARG 41 Cb 0.17 -1.16 -0.08 0.00 0.00 0.00 0.00 32.46 31.38 1ivm n ARG 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ivm n ALA 42 N 0.31 0.50 -3.69 5.13 0.00 -1.25 -4.83 120.51 116.67 1ivm n ALA 42 Ca 0.06 -1.23 -0.17 0.00 0.00 0.00 0.00 53.44 52.10 1ivm n ALA 42 Cb 0.27 -3.15 -0.16 0.00 0.00 0.00 0.00 19.45 16.41 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 12.62 -0.18 -0.29 0.00 -4.23 -1.26 0.52 115.64 122.82 1ivm s THR 43 Ca 0.99 0.34 0.01 0.00 -1.18 0.00 0.00 61.69 61.85 1ivm s THR 43 Cb -0.25 -0.24 0.15 0.00 1.34 0.00 0.00 72.50 73.50 1ivm s THR 43 CO 0.18 0.14 0.37 0.21 -0.54 0.00 0.00 174.62 174.98 1ivm s ASN 44 N 2.00 0.84 0.43 3.99 3.84 0.17 -4.97 114.94 121.25 1ivm s ASN 44 Ca 0.01 -0.56 -0.04 0.00 0.21 0.00 0.00 52.86 52.48 1ivm s ASN 44 Cb -0.12 0.89 -0.04 0.00 -0.55 0.00 0.00 41.25 41.43 1ivm s ASN 44 CO -0.05 -0.36 0.71 -0.72 -2.79 0.00 0.00 177.10 173.89 1ivm s TYR 45 N 2.44 3.54 -0.30 0.43 1.13 -1.26 0.20 117.35 123.52 1ivm s TYR 45 Ca 0.10 0.69 -0.00 0.00 -1.41 0.00 0.00 57.07 56.45 1ivm s TYR 45 Cb -0.13 -2.19 0.19 0.00 -1.10 0.00 0.00 41.96 38.73 1ivm s TYR 45 CO -0.30 -0.14 0.68 -0.80 -2.51 0.00 0.00 175.55 172.48 1ivm s ASN 46 N -4.00 -1.31 0.17 -0.18 -0.87 0.68 -4.88 114.94 104.55 1ivm s ASN 46 Ca 0.45 0.45 0.02 0.00 -1.57 0.00 0.00 52.86 52.21 1ivm s ASN 46 Cb -0.10 1.95 0.02 0.00 -0.02 0.00 0.00 41.25 43.10 1ivm s ASN 46 CO 0.41 -0.24 1.39 -0.09 -2.57 0.00 0.00 177.10 176.00 1ivm h ARG 47 N 7.93 0.21 -0.88 -0.60 2.43 -1.95 0.27 114.38 121.80 1ivm h ARG 47 Ca -0.11 -0.22 0.34 0.00 -0.81 0.00 0.00 59.98 59.18 1ivm h ARG 47 Cb 1.18 0.06 -0.16 0.00 -0.42 0.00 0.00 29.97 30.63 1ivm h ARG 47 CO 0.14 0.94 0.38 0.41 -1.51 0.00 0.00 179.97 180.33 1ivm n GLY 48 N 0.81 -0.77 0.86 2.80 0.00 -1.26 0.19 105.19 107.82 1ivm n GLY 48 Ca -0.04 0.74 0.03 0.00 0.00 0.00 0.00 46.02 46.76 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 -5.05 1.87 -3.86 1.61 2.03 -1.23 -4.97 116.55 106.96 1ivm n ASP 49 Ca 0.31 -3.62 -0.26 0.00 0.52 0.00 0.00 54.79 51.74 1ivm n ASP 49 Cb 1.04 -0.48 -0.07 0.00 -0.72 0.00 0.00 41.12 40.89 1ivm n ASP 49 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1ivm n GLN 50 N -0.87 -0.90 -4.01 -0.67 7.27 0.49 -4.88 117.38 113.82 1ivm n GLN 50 Ca 0.19 0.08 -0.11 0.00 0.07 0.00 0.00 57.00 57.23 1ivm n GLN 50 Cb 0.77 -2.96 -0.11 0.00 2.41 0.00 0.00 30.24 30.35 1ivm n GLN 50 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1ivm s SER 51 N -3.67 0.46 -0.04 1.69 1.04 0.95 -4.56 113.70 109.57 1ivm s SER 51 Ca 0.18 -0.50 -0.01 0.00 0.48 0.00 0.00 55.95 56.10 1ivm s SER 51 Cb -0.11 0.07 0.03 0.00 0.10 0.00 0.00 66.02 66.11 1ivm s SER 51 CO 0.76 -0.25 0.08 -0.89 0.98 0.00 0.00 173.24 173.92 1ivm s THR 52 N -1.37 -0.05 -0.56 2.02 2.01 -1.26 -0.23 115.64 116.21 1ivm s THR 52 Ca -0.13 0.17 -0.15 0.00 0.31 0.00 0.00 61.69 61.89 1ivm s THR 52 Cb -0.10 -0.14 0.14 0.00 0.01 0.00 0.00 72.50 72.41 1ivm s THR 52 CO -0.00 0.07 0.51 -1.81 -0.69 0.00 0.00 174.62 172.69 1ivm s ASP 53 N 0.92 6.17 0.17 3.53 1.01 0.52 0.22 116.67 129.23 1ivm s ASP 53 Ca -0.07 -1.91 0.07 0.00 0.71 0.00 0.00 52.55 51.35 1ivm s ASP 53 Cb -0.10 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.60 1ivm s ASP 53 CO -0.04 -0.80 -0.15 -0.31 0.21 0.00 0.00 175.17 174.08 1ivm s TYR 54 N 1.41 1.65 0.00 4.23 1.51 0.12 0.44 117.35 126.71 1ivm s TYR 54 Ca 0.05 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 1ivm s TYR 54 Cb -0.27 -0.80 0.00 0.00 -0.11 0.00 0.00 41.96 40.77 1ivm s TYR 54 CO 0.01 0.29 0.00 0.41 -1.11 0.00 0.00 175.55 175.15 1ivm n GLY 55 N -0.01 2.27 0.44 0.71 0.00 0.18 0.41 105.19 109.19 1ivm n GLY 55 Ca -0.11 -1.63 0.25 0.00 0.00 0.00 0.00 46.02 44.53 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 0.57 -0.34 -0.61 2.10 -1.79 1.47 117.51 118.91 1ivm h ILE 56 Ca 0.00 -0.07 -0.06 0.00 1.08 0.00 0.00 64.86 65.81 1ivm h ILE 56 Cb 0.00 0.35 -0.04 0.00 -1.09 0.00 0.00 36.82 36.04 1ivm h ILE 56 CO 0.00 0.04 0.08 0.49 -1.08 0.00 0.00 178.15 177.68 1ivm n PHE 57 N -4.41 1.17 -3.66 2.19 3.72 -1.26 -1.67 117.46 113.55 1ivm n PHE 57 Ca 0.21 -0.56 -0.22 0.00 -0.05 0.00 0.00 57.45 56.82 1ivm n PHE 57 Cb 0.89 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 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 0.16 -1.33 -3.59 -1.08 -0.06 0.50 -4.87 117.38 107.11 1ivm n GLN 58 Ca 0.18 0.63 -0.37 0.00 -2.00 0.00 0.00 57.00 55.44 1ivm n GLN 58 Cb 0.82 -1.94 -0.07 0.00 -4.06 0.00 0.00 30.24 24.99 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 -2.89 5.27 0.06 1.69 1.01 0.16 -4.79 121.20 121.72 1ivm s ILE 59 Ca 0.01 0.56 -0.30 0.00 0.00 0.00 0.00 60.65 60.92 1ivm s ILE 59 Cb -0.01 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 1ivm s ILE 59 CO 0.79 0.48 0.96 0.21 0.00 0.00 0.00 174.94 177.38 1ivm s ASN 60 N -0.21 7.43 -0.01 3.58 3.84 -1.25 0.11 114.94 128.42 1ivm s ASN 60 Ca 0.18 1.72 0.11 0.00 0.21 0.00 0.00 52.86 55.08 1ivm s ASN 60 Cb -0.14 -2.57 0.33 0.00 -0.55 0.00 0.00 41.25 38.32 1ivm s ASN 60 CO 0.06 -0.14 1.26 -0.24 -2.79 0.00 0.00 177.10 175.25 1ivm n SER 61 N 3.24 2.08 -0.30 -4.21 2.88 0.61 -2.19 113.62 115.73 1ivm n SER 61 Ca 0.04 -2.04 0.14 0.00 -1.33 0.00 0.00 58.87 55.68 1ivm n SER 61 Cb 0.50 -0.28 0.54 0.00 -0.75 0.00 0.00 64.21 64.23 1ivm n SER 61 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1ivm n ARG 62 N 0.55 1.19 0.00 -1.46 1.85 -1.26 -4.54 116.66 112.99 1ivm n ARG 62 Ca 0.12 -0.60 0.00 0.00 -1.00 0.00 0.00 57.85 56.37 1ivm n ARG 62 Cb 0.34 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.27 1ivm n ARG 62 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 1ivm n TYR 63 N -0.38 -0.69 -3.63 2.89 4.19 -1.24 -3.97 117.16 114.33 1ivm n TYR 63 Ca 0.17 0.00 -0.26 0.00 3.31 0.00 0.00 57.90 61.12 1ivm n TYR 63 Cb 0.31 0.23 -0.03 0.00 0.49 0.00 0.00 39.34 40.35 1ivm n TYR 63 CO 0.00 0.00 0.00 -1.58 0.91 0.00 0.00 176.86 176.19 1ivm s TRP 64 N -1.46 3.48 0.25 2.98 0.51 -0.93 0.15 118.94 123.91 1ivm s TRP 64 Ca 0.00 0.33 0.00 0.00 -2.12 0.00 0.00 56.10 54.31 1ivm s TRP 64 Cb 0.00 -1.85 0.00 0.00 -0.81 0.00 0.00 33.47 30.81 1ivm s TRP 64 CO 0.00 0.31 0.00 0.00 -0.51 0.00 0.00 176.95 176.75 1ivm n ASN 66 N -4.32 0.00 0.03 0.00 5.15 0.73 -3.81 115.26 113.04 1ivm n ASN 66 Ca -0.00 -0.93 0.00 0.00 -0.60 0.00 0.00 54.58 53.05 1ivm n ASN 66 Cb 0.61 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.86 1ivm n ASN 66 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1ivm n ASP 67 N -1.07 -0.42 0.00 1.20 2.03 -1.26 -1.25 116.55 115.79 1ivm n ASP 67 Ca 0.00 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1ivm n ASP 67 Cb 0.00 0.62 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 1ivm n ASP 67 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ivm n GLY 68 N -0.06 0.90 0.04 0.27 0.00 -1.26 -4.95 105.19 100.13 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 1.17 0.00 0.00 0.00 173.32 174.49 1ivm n LYS 69 N -0.49 0.29 -3.84 1.61 3.00 -1.26 -4.65 118.16 112.82 1ivm n LYS 69 Ca 0.00 0.01 -0.30 0.00 -0.00 0.00 0.00 58.31 58.02 1ivm n LYS 69 Cb 0.00 -1.61 -0.14 0.00 0.00 0.00 0.00 35.03 33.28 1ivm n LYS 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1ivm s THR 70 N -3.20 1.74 -1.10 3.15 2.01 -1.26 -5.01 115.64 111.98 1ivm s THR 70 Ca 0.04 -2.37 -0.07 0.00 0.31 0.00 0.00 61.69 59.59 1ivm s THR 70 Cb 0.14 -2.25 -0.08 0.00 0.01 0.00 0.00 72.50 70.32 1ivm s THR 70 CO 0.79 -0.75 2.52 -0.81 -0.69 0.00 0.00 174.62 175.68 1ivm n PRO 71 N 3.96 2.65 0.00 4.92 -0.04 -1.26 -3.04 135.00 142.19 1ivm n PRO 71 Ca 0.04 -1.67 0.00 0.00 -0.04 0.00 0.00 63.50 61.83 1ivm n PRO 71 Cb 0.38 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 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 3.80 0.00 -1.00 0.54 3.00 -1.26 -5.12 116.66 116.61 1ivm n ARG 72 Ca 0.57 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 58.06 1ivm n ARG 72 Cb 0.23 -0.11 0.04 0.00 0.00 0.00 0.00 32.46 32.62 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 -2.06 -5.20 -2.70 5.13 0.00 -1.17 -4.90 120.51 109.61 1ivm n ALA 73 Ca 0.00 -0.65 -0.26 0.00 0.00 0.00 0.00 53.44 52.53 1ivm n ALA 73 Cb 0.00 -1.20 -0.02 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 -2.52 2.46 -1.45 0.00 3.14 -1.25 -5.01 118.33 113.70 1ivm n VAL 74 Ca -0.01 -5.07 -0.40 0.00 -2.96 0.00 0.00 64.34 55.90 1ivm n VAL 74 Cb 0.55 -1.16 -0.14 0.00 -1.06 0.00 0.00 33.84 32.03 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 -0.33 0.28 0.18 6.55 6.94 -0.75 -4.45 115.26 123.68 1ivm n ASN 75 Ca 0.33 0.18 0.12 0.00 -0.02 0.00 0.00 54.58 55.20 1ivm n ASN 75 Cb 0.56 -0.89 0.26 0.00 -2.36 0.00 0.00 39.78 37.35 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 11.57 1.00 0.04 -2.53 0.00 0.11 -3.13 119.26 126.31 1ivm h ALA 76 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.55 1ivm h ALA 76 Cb 1.27 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1ivm h ALA 76 CO 1.34 0.00 -1.74 0.00 0.00 0.00 0.00 179.25 178.85 1ivm n GLY 78 N 1.66 -0.31 3.36 0.00 0.00 -1.19 -4.92 105.19 103.81 1ivm n GLY 78 Ca -0.20 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.27 0.07 -0.08 -0.61 -0.00 -1.26 -5.02 121.20 111.03 1ivm s ILE 79 Ca 0.12 -1.03 -0.30 0.00 -0.00 0.00 0.00 60.65 59.45 1ivm s ILE 79 Cb -0.02 -1.56 -0.03 0.00 -0.00 0.00 0.00 42.46 40.86 1ivm s ILE 79 CO 0.53 -0.31 1.22 0.20 -0.00 0.00 0.00 174.94 176.59 1ivm s ASN 80 N -2.89 7.02 0.48 4.36 -0.87 -1.26 -0.19 114.94 121.58 1ivm s ASN 80 Ca 0.10 1.80 0.26 0.00 -1.57 0.00 0.00 52.86 53.45 1ivm s ASN 80 Cb 0.02 -2.55 1.32 0.00 -0.02 0.00 0.00 41.25 40.01 1ivm s ASN 80 CO -0.05 -0.63 1.84 0.00 -2.57 0.00 0.00 177.10 175.69 1ivm h SER 82 N 0.19 0.26 0.00 0.00 0.87 -1.90 0.28 113.55 113.25 1ivm h SER 82 Ca 0.50 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.06 1ivm h SER 82 Cb 1.64 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.55 1ivm h SER 82 CO -0.11 0.17 0.08 0.00 -0.53 0.00 0.00 176.83 176.44 1ivm h ALA 83 N 1.79 1.08 -0.73 6.23 0.00 0.13 1.25 119.26 129.00 1ivm h ALA 83 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ivm h ALA 83 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ivm h ALA 83 CO -0.03 -0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.42 1ivm n LEU 84 N -2.75 4.21 -0.21 0.00 4.77 0.98 -3.94 117.00 120.05 1ivm n LEU 84 Ca -0.02 -2.11 0.08 0.00 -0.03 0.00 0.00 56.01 53.92 1ivm n LEU 84 Cb 0.14 -0.52 0.11 0.00 -2.33 0.00 0.00 43.42 40.82 1ivm n LEU 84 CO 0.15 0.95 0.48 -0.11 -1.33 0.00 0.00 177.39 177.54 1ivm n LEU 85 N 1.56 1.84 0.00 2.23 7.94 0.43 -4.32 117.00 126.68 1ivm n LEU 85 Ca 0.25 -2.67 0.00 0.00 -1.11 0.00 0.00 56.01 52.48 1ivm n LEU 85 Cb 0.70 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 44.31 1ivm n LEU 85 CO 0.19 0.64 0.00 0.00 -1.11 0.00 0.00 177.39 177.11 1ivm n GLN 86 N -1.08 1.62 -0.09 1.96 6.02 -1.14 -5.03 117.38 119.62 1ivm n GLN 86 Ca 0.13 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.94 1ivm n GLN 86 Cb 0.66 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.82 1ivm n GLN 86 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1ivm h ASP 87 N 0.00 0.00 -3.42 1.08 3.58 -1.94 -3.46 116.42 112.26 1ivm h ASP 87 Ca 0.00 -0.56 -0.53 0.00 0.42 0.00 0.00 57.03 56.36 1ivm h ASP 87 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1ivm h ASP 87 CO 0.00 1.29 0.46 -1.81 -2.88 0.00 0.00 179.24 176.30 1ivm s ASP 88 N -6.58 7.28 0.00 2.28 1.01 -1.26 -4.76 116.67 114.64 1ivm s ASP 88 Ca -0.25 1.91 0.23 0.00 0.71 0.00 0.00 52.55 55.16 1ivm s ASP 88 Cb 0.03 -2.59 1.11 0.00 1.01 0.00 0.00 42.92 42.49 1ivm s ASP 88 CO 0.56 -0.28 1.75 2.30 0.21 0.00 0.00 175.17 179.72 1ivm n ILE 89 N 3.27 0.07 -0.38 0.77 -5.35 -1.26 -4.08 119.36 112.40 1ivm n ILE 89 Ca 0.05 -0.16 0.31 0.00 -0.27 0.00 0.00 62.75 62.68 1ivm n ILE 89 Cb 0.48 0.04 0.58 0.00 -1.74 0.00 0.00 39.64 39.00 1ivm n ILE 89 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ivm h THR 90 N 1.18 0.22 -0.10 7.28 2.02 -1.93 1.69 112.91 123.26 1ivm h THR 90 Ca 0.00 -0.06 -0.23 0.00 0.77 0.00 0.00 66.41 66.89 1ivm h THR 90 Cb 0.26 0.02 0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1ivm h THR 90 CO 0.00 0.03 -0.85 0.00 0.37 0.00 0.00 175.52 175.08 1ivm h ALA 91 N 1.71 0.30 -0.86 6.16 0.00 -1.82 0.17 119.26 124.92 1ivm h ALA 91 Ca 0.77 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1ivm h ALA 91 Cb 2.15 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.89 1ivm h ALA 91 CO -0.48 0.70 0.42 0.00 0.00 0.00 0.00 179.25 179.89 1ivm h ALA 92 N 0.57 1.10 0.03 0.00 0.00 0.19 0.79 119.26 121.95 1ivm h ALA 92 Ca -0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ivm h ALA 92 Cb 1.48 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ivm h ALA 92 CO 0.17 0.66 -0.01 0.82 0.00 0.00 0.00 179.25 180.89 1ivm h ILE 93 N 1.22 1.40 -0.40 0.00 2.04 -0.00 0.48 117.51 122.24 1ivm h ILE 93 Ca 0.30 -1.48 0.05 0.00 1.00 0.00 0.00 64.86 64.72 1ivm h ILE 93 Cb 0.11 2.36 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 1ivm h ILE 93 CO -0.04 0.37 0.14 -0.61 0.00 0.00 0.00 178.15 178.01 1ivm h GLN 94 N -0.70 0.30 -0.22 2.37 4.15 -0.50 0.20 115.11 120.71 1ivm h GLN 94 Ca -0.00 -0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 1ivm h GLN 94 Cb 0.64 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 1ivm h GLN 94 CO 0.01 0.20 -0.12 0.00 -1.93 0.00 0.00 178.83 176.98 1ivm h ALA 96 N 0.70 0.53 -0.25 0.00 0.00 0.63 1.37 119.26 122.24 1ivm h ALA 96 Ca 0.05 0.20 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 1ivm h ALA 96 Cb 0.63 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ivm h ALA 96 CO 0.04 -0.41 -0.36 1.57 0.00 0.00 0.00 179.25 180.09 1ivm h LYS 97 N 0.07 0.69 0.00 0.00 2.10 -0.49 0.12 116.57 119.06 1ivm h LYS 97 Ca 0.31 -0.40 -0.00 0.00 -2.00 0.00 0.00 60.65 58.55 1ivm h LYS 97 Cb 0.49 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.85 1ivm h LYS 97 CO -0.55 1.02 -0.02 -0.09 -2.00 0.00 0.00 179.45 177.81 1ivm h ARG 98 N 0.41 0.00 0.00 0.07 9.65 0.17 0.55 114.38 125.23 1ivm h ARG 98 Ca 0.03 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.85 1ivm h ARG 98 Cb 0.94 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.51 1ivm h ARG 98 CO 0.08 0.02 -0.60 0.28 2.80 0.00 0.00 179.97 182.55 1ivm h VAL 99 N 0.00 0.31 -0.22 0.20 2.07 0.21 -3.35 116.25 115.47 1ivm h VAL 99 Ca -0.00 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.23 1ivm h VAL 99 Cb 0.10 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1ivm h VAL 99 CO 0.00 0.11 0.20 0.58 0.02 0.00 0.00 177.57 178.48 1ivm h VAL 100 N -1.00 0.59 0.00 2.57 2.07 -0.57 0.14 116.25 120.05 1ivm h VAL 100 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1ivm h VAL 100 Cb 0.66 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1ivm h VAL 100 CO -0.05 0.00 0.32 0.03 0.02 0.00 0.00 177.57 177.89 1ivm h ARG 101 N 0.00 0.00 -7.77 1.57 3.08 -0.03 -3.35 114.38 107.88 1ivm h ARG 101 Ca 0.10 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.71 1ivm h ARG 101 Cb 0.51 0.00 0.16 0.00 0.08 0.00 0.00 29.97 30.71 1ivm h ARG 101 CO -0.00 0.00 0.40 -0.51 -1.07 0.00 0.00 179.97 178.79 1ivm s ASP 102 N -4.30 3.19 0.00 7.04 1.11 0.48 -4.92 116.67 119.27 1ivm s ASP 102 Ca -0.03 0.38 0.20 0.00 0.18 0.00 0.00 52.55 53.28 1ivm s ASP 102 Cb 0.08 -0.51 1.21 0.00 1.07 0.00 0.00 42.92 44.78 1ivm s ASP 102 CO 0.25 -2.70 1.63 -0.81 1.18 0.00 0.00 175.17 174.73 1ivm n PRO 103 N -3.76 0.75 0.15 8.23 -0.04 -1.26 -3.64 135.00 135.43 1ivm n PRO 103 Ca 0.14 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.53 1ivm n PRO 103 Cb 0.60 -1.42 -0.03 0.00 -0.04 0.00 0.00 33.50 32.60 1ivm n PRO 103 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1ivm h GLN 104 N 0.00 -0.41 0.00 0.54 1.08 -1.85 -3.50 115.11 110.96 1ivm h GLN 104 Ca 0.00 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1ivm h GLN 104 Cb 0.00 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1ivm h GLN 104 CO 0.00 -0.28 0.00 0.41 -0.95 0.00 0.00 178.83 178.01 1ivm n GLY 105 N 0.19 -2.34 0.65 3.46 0.00 -1.24 -4.18 105.19 101.72 1ivm n GLY 105 Ca -0.05 -1.47 0.50 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.11 -0.07 -0.34 -0.61 2.08 -1.26 0.62 119.36 117.67 1ivm n ILE 106 Ca 0.00 1.56 0.32 0.00 0.56 0.00 0.00 62.75 65.19 1ivm n ILE 106 Cb 0.00 -2.59 0.57 0.00 -0.75 0.00 0.00 39.64 36.88 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 -4.11 -0.05 -0.44 0.38 3.00 -1.26 0.19 116.66 114.38 1ivm n ARG 107 Ca 0.43 1.24 0.37 0.00 -0.00 0.00 0.00 57.85 59.89 1ivm n ARG 107 Cb 1.89 -2.29 0.65 0.00 0.00 0.00 0.00 32.46 32.70 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 1.73 2.67 -0.90 5.13 0.00 -0.00 0.52 119.26 128.41 1ivm h ALA 108 Ca 0.80 0.15 -0.77 0.00 0.00 0.00 0.00 54.91 55.09 1ivm h ALA 108 Cb 2.26 0.24 -0.18 0.00 0.00 0.00 0.00 17.79 20.11 1ivm h ALA 108 CO -0.62 -1.35 1.86 0.91 0.00 0.00 0.00 179.25 180.04 1ivm n TRP 109 N -4.81 2.67 -0.39 0.00 8.01 0.50 -4.73 117.44 118.68 1ivm n TRP 109 Ca 0.39 -2.72 0.38 0.00 -1.31 0.00 0.00 57.50 54.24 1ivm n TRP 109 Cb 1.46 -1.58 0.67 0.00 -2.01 0.00 0.00 31.31 29.84 1ivm n TRP 109 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.69 176.44 1ivm h VAL 110 N 2.47 0.10 -0.61 -0.99 3.04 -0.14 0.72 116.25 120.84 1ivm h VAL 110 Ca 0.63 0.00 0.12 0.00 -1.01 0.00 0.00 66.70 66.44 1ivm h VAL 110 Cb 0.32 0.13 -0.11 0.00 -2.01 0.00 0.00 31.29 29.61 1ivm h VAL 110 CO 1.36 0.00 -0.13 0.00 -1.01 0.00 0.00 177.57 177.79 1ivm h ALA 111 N 0.95 0.43 -0.31 3.17 0.00 -1.85 1.60 119.26 123.25 1ivm h ALA 111 Ca 0.65 0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.87 1ivm h ALA 111 Cb 2.98 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 21.20 1ivm h ALA 111 CO -0.01 -0.42 0.22 2.35 0.00 0.00 0.00 179.25 181.39 1ivm h TRP 112 N 0.02 0.04 0.00 0.00 7.01 0.10 0.92 115.95 124.03 1ivm h TRP 112 Ca 0.30 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.30 1ivm h TRP 112 Cb 0.46 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.50 1ivm h TRP 112 CO -0.48 0.02 0.00 -0.09 -2.79 0.00 0.00 178.44 175.10 1ivm h ARG 113 N 0.04 0.00 -0.07 2.65 2.43 0.23 0.73 114.38 120.39 1ivm h ARG 113 Ca 0.15 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 1ivm h ARG 113 Cb 0.54 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 29.89 1ivm h ARG 113 CO -0.01 0.00 -0.76 0.00 -1.51 0.00 0.00 179.97 177.69 1ivm n ALA 114 N -1.81 3.19 0.00 2.80 0.00 0.30 -4.43 120.51 120.56 1ivm n ALA 114 Ca 0.02 -2.94 0.00 0.00 0.00 0.00 0.00 53.44 50.52 1ivm n ALA 114 Cb 0.23 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.44 -0.56 -0.08 0.00 -0.00 -0.05 -4.96 115.22 109.12 1ivm n HIS 115 Ca 0.15 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.22 1ivm n HIS 115 Cb 0.89 0.21 -0.06 0.00 -0.12 0.00 0.00 29.99 30.92 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 -4.56 2.16 0.11 0.00 1.13 -0.65 -3.26 117.38 112.32 1ivm n GLN 117 Ca -0.16 -1.31 0.00 0.00 -1.94 0.00 0.00 57.00 53.59 1ivm n GLN 117 Cb 0.41 -2.28 0.00 0.00 0.11 0.00 0.00 30.24 28.48 1ivm n GLN 117 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1ivm n ASN 118 N 3.43 -0.38 -1.57 1.08 2.85 -1.26 -4.77 115.26 114.65 1ivm n ASN 118 Ca 0.46 0.39 -0.01 0.00 -0.11 0.00 0.00 54.58 55.32 1ivm n ASN 118 Cb 0.37 0.53 -0.00 0.00 1.24 0.00 0.00 39.78 41.91 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 -3.22 1.03 -2.78 1.20 0.63 -1.20 -5.09 116.66 107.23 1ivm n ARG 119 Ca 0.00 -0.07 -0.43 0.00 -0.92 0.00 0.00 57.85 56.43 1ivm n ARG 119 Cb 0.00 0.04 -0.04 0.00 0.45 0.00 0.00 32.46 32.91 1ivm n ARG 119 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1ivm s ASP 120 N -1.05 6.22 0.00 6.15 2.15 -1.26 -4.83 116.67 124.05 1ivm s ASP 120 Ca 0.00 -0.69 0.12 0.00 0.43 0.00 0.00 52.55 52.41 1ivm s ASP 120 Cb 0.00 -2.46 0.35 0.00 -0.30 0.00 0.00 42.92 40.52 1ivm s ASP 120 CO 0.00 -1.48 1.29 -0.11 -0.17 0.00 0.00 175.17 174.71 1ivm n LEU 121 N 8.03 2.01 0.17 -1.34 -0.00 -1.26 -3.75 117.00 120.85 1ivm n LEU 121 Ca -0.01 -1.00 0.05 0.00 -0.00 0.00 0.00 56.01 55.05 1ivm n LEU 121 Cb 0.47 -0.25 0.20 0.00 -0.00 0.00 0.00 43.42 43.85 1ivm n LEU 121 CO 0.66 0.50 0.59 0.28 -0.00 0.00 0.00 177.39 179.42 1ivm h SER 122 N 2.21 0.00 0.67 1.96 0.02 -1.94 -2.83 113.55 113.65 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 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1ivm h SER 122 CO 0.00 0.43 0.00 -0.61 -1.14 0.00 0.00 176.83 175.51 1ivm h GLN 123 N 0.00 0.00 0.21 3.45 5.75 -1.87 0.68 115.11 123.33 1ivm h GLN 123 Ca -0.00 0.00 -0.31 0.00 -0.15 0.00 0.00 58.65 58.18 1ivm h GLN 123 Cb 1.11 0.00 0.03 0.00 1.07 0.00 0.00 27.48 29.69 1ivm h GLN 123 CO 0.06 0.00 -1.39 -0.92 -2.65 0.00 0.00 178.83 173.93 1ivm h TYR 124 N 0.00 0.81 0.03 3.99 3.20 -1.77 -3.34 116.97 119.89 1ivm h TYR 124 Ca 0.00 -0.59 -0.31 0.00 3.14 0.00 0.00 58.73 60.97 1ivm h TYR 124 Cb 0.33 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 1ivm h TYR 124 CO 0.00 1.46 -1.80 0.44 -1.64 0.00 0.00 178.16 176.62 1ivm n ILE 125 N -3.65 1.66 -2.05 1.81 -5.35 -0.96 -4.75 119.36 106.07 1ivm n ILE 125 Ca -0.14 -0.76 -0.38 0.00 -0.27 0.00 0.00 62.75 61.20 1ivm n ILE 125 Cb 1.07 -1.22 -0.03 0.00 -1.74 0.00 0.00 39.64 37.72 1ivm n ILE 125 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1ivm s ARG 126 N -2.59 2.63 0.00 6.28 3.52 0.23 -2.74 118.95 126.29 1ivm s ARG 126 Ca -0.10 0.56 0.00 0.00 -0.13 0.00 0.00 55.73 56.06 1ivm s ARG 126 Cb 0.08 -4.41 0.00 0.00 -1.56 0.00 0.00 34.95 29.06 1ivm s ARG 126 CO 0.81 -2.75 0.00 0.09 -0.81 0.00 0.00 175.30 172.64 1ivm n ASN 127 N 12.73 0.00 0.20 -2.12 3.02 -1.26 -4.78 115.26 123.04 1ivm n ASN 127 Ca 0.21 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.83 1ivm n ASN 127 Cb 0.52 0.00 0.34 0.00 -0.61 0.00 0.00 39.78 40.03 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 0.38 1.86 0.46 0.00 0.00 -1.26 -5.13 105.19 101.50 1ivm n GLY 129 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 1ivm n GLY 129 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70