#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 0.01 -0.09 3.15 1.01 -1.26 -0.11 120.40 123.11 1ivm s VAL 2 Ca 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 1ivm s VAL 2 Cb 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 36.38 36.28 1ivm s VAL 2 CO 0.00 -0.03 0.21 -0.72 0.00 0.00 0.00 175.10 174.56 1ivm s TYR 3 N -0.06 -0.26 0.26 5.22 -0.85 0.33 -4.94 117.35 117.06 1ivm s TYR 3 Ca -0.01 0.63 0.08 0.00 -0.52 0.00 0.00 57.07 57.25 1ivm s TYR 3 Cb -0.01 0.05 -0.04 0.00 0.38 0.00 0.00 41.96 42.34 1ivm s TYR 3 CO 0.00 -0.16 0.13 -1.83 -1.52 0.00 0.00 175.55 172.17 1ivm s GLU 4 N 0.62 2.68 0.08 -3.49 -1.05 -1.26 0.20 118.70 116.48 1ivm s GLU 4 Ca -0.04 -1.21 -0.15 0.00 -0.15 0.00 0.00 54.97 53.43 1ivm s GLU 4 Cb -0.06 -2.41 -0.03 0.00 -0.44 0.00 0.00 34.13 31.19 1ivm s GLU 4 CO -0.03 0.37 1.20 2.89 0.95 0.00 0.00 175.26 180.63 1ivm n ARG 5 N -1.09 -0.21 0.00 -4.83 1.85 -1.26 0.03 116.66 111.16 1ivm n ARG 5 Ca -0.07 1.18 0.00 0.00 -1.00 0.00 0.00 57.85 57.96 1ivm n ARG 5 Cb 0.58 -1.75 0.00 0.00 -1.05 0.00 0.00 32.46 30.24 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 -1.01 -0.04 -0.24 0.00 -0.58 -0.95 0.16 120.64 117.99 1ivm n GLU 7 Ca 0.00 0.49 -0.03 0.00 -0.42 0.00 0.00 57.16 57.19 1ivm n GLU 7 Cb 0.00 -0.73 0.02 0.00 -0.57 0.00 0.00 31.44 30.17 1ivm n GLU 7 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1ivm h PHE 8 N 0.00 -0.88 -0.38 -0.32 3.57 -0.07 0.54 116.94 119.41 1ivm h PHE 8 Ca 0.01 0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.67 1ivm h PHE 8 Cb 0.03 0.49 -0.08 0.00 2.79 0.00 0.00 35.95 39.18 1ivm h PHE 8 CO -0.43 -0.38 -0.19 0.00 -2.23 0.00 0.00 178.31 175.09 1ivm h ALA 9 N 1.17 0.09 0.10 2.41 0.00 0.75 1.34 119.26 125.13 1ivm h ALA 9 Ca 0.27 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.32 1ivm h ALA 9 Cb 0.56 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1ivm h ALA 9 CO -0.75 -0.56 -0.15 -0.09 0.00 0.00 0.00 179.25 177.70 1ivm h ARG 10 N -0.13 -0.29 0.38 0.00 2.43 0.24 0.15 114.38 117.16 1ivm h ARG 10 Ca 0.19 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1ivm h ARG 10 Cb 0.41 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1ivm h ARG 10 CO -0.46 -0.19 -0.29 1.15 -1.51 0.00 0.00 179.97 178.67 1ivm h THR 11 N -0.30 0.39 -0.55 0.20 2.02 0.96 0.83 112.91 116.46 1ivm h THR 11 Ca 0.02 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.31 1ivm h THR 11 Cb 0.31 0.39 -0.11 0.00 -1.74 0.00 0.00 68.15 67.01 1ivm h THR 11 CO -0.07 0.00 -0.15 0.25 0.37 0.00 0.00 175.52 175.92 1ivm h LEU 12 N -0.67 -0.55 -1.39 2.58 5.85 0.19 1.85 115.31 123.17 1ivm h LEU 12 Ca -0.03 0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 1ivm h LEU 12 Cb 0.58 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1ivm h LEU 12 CO -0.01 -0.19 -0.22 0.50 -0.34 0.00 0.00 178.44 178.18 1ivm h LYS 13 N -0.02 0.12 0.00 1.25 3.11 -0.30 0.70 116.57 121.43 1ivm h LYS 13 Ca 0.26 -0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 58.01 1ivm h LYS 13 Cb 0.42 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.62 1ivm h LYS 13 CO -0.57 0.34 -0.28 -0.09 -2.81 0.00 0.00 179.45 176.05 1ivm h ARG 14 N 0.11 0.00 0.14 1.90 2.43 0.70 -3.23 114.38 116.43 1ivm h ARG 14 Ca 0.02 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.83 1ivm h ARG 14 Cb 0.46 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1ivm h ARG 14 CO 0.03 0.28 -1.90 -0.97 -1.51 0.00 0.00 179.97 175.90 1ivm h ASN 15 N 0.00 0.48 0.00 -3.80 -0.73 0.37 -3.50 115.58 108.40 1ivm h ASN 15 Ca -0.00 -0.95 0.00 0.00 1.87 0.00 0.00 56.30 57.22 1ivm h ASN 15 Cb 1.06 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.49 1ivm h ASN 15 CO 0.04 1.83 0.00 0.61 -0.37 0.00 0.00 177.43 179.54 1ivm n GLY 16 N 1.94 0.75 0.45 1.57 0.00 0.23 -5.06 105.19 105.07 1ivm n GLY 16 Ca -0.29 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 0.00 -1.65 1.61 0.00 -0.93 -5.00 117.12 111.15 1ivm n MET 17 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 57.70 57.22 1ivm n MET 17 Cb 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 33.22 32.97 1ivm n MET 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ivm n ALA 18 N -1.73 1.02 -1.36 -5.12 0.00 -1.24 -0.07 120.51 112.01 1ivm n ALA 18 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1ivm n ALA 18 Cb 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 16.89 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 4.75 0.61 2.98 0.00 0.00 -1.18 -4.67 105.19 107.68 1ivm n GLY 19 Ca 0.25 -0.79 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.24 -2.24 -0.31 1.61 9.36 0.91 -4.72 117.16 118.52 1ivm n TYR 20 Ca 0.00 0.07 0.01 0.00 3.32 0.00 0.00 57.90 61.30 1ivm n TYR 20 Cb 0.27 -1.38 0.05 0.00 -0.63 0.00 0.00 39.34 37.65 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 -4.23 0.09 0.02 2.98 4.02 -1.26 -3.90 117.16 114.88 1ivm n TYR 21 Ca 0.05 0.99 -0.02 0.00 -0.01 0.00 0.00 57.90 58.91 1ivm n TYR 21 Cb 0.31 -0.84 -0.01 0.00 -0.02 0.00 0.00 39.34 38.78 1ivm n TYR 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ivm n GLY 22 N -1.41 -0.11 3.71 2.72 0.00 -1.26 -5.01 105.19 103.82 1ivm n GLY 22 Ca 0.09 -0.05 -0.58 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.56 0.26 -3.33 1.61 0.31 -1.25 -4.90 118.33 107.46 1ivm n VAL 23 Ca -0.04 -0.05 -0.37 0.00 -0.01 0.00 0.00 64.34 63.87 1ivm n VAL 23 Cb 0.19 -1.13 -0.06 0.00 -0.91 0.00 0.00 33.84 31.93 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 3.30 6.95 0.31 4.52 0.01 -1.26 -0.06 113.70 127.46 1ivm s SER 24 Ca 0.98 1.16 0.07 0.00 1.31 0.00 0.00 55.95 59.48 1ivm s SER 24 Cb -1.11 -2.32 0.89 0.00 0.21 0.00 0.00 66.02 63.69 1ivm s SER 24 CO 0.66 0.22 1.63 0.25 0.41 0.00 0.00 173.24 176.41 1ivm h LEU 25 N 4.21 0.11 -0.70 2.44 5.85 -1.88 1.54 115.31 126.88 1ivm h LEU 25 Ca -0.50 0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 1ivm h LEU 25 Cb 1.21 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.47 1ivm h LEU 25 CO 0.64 -0.21 0.44 0.00 -0.34 0.00 0.00 178.44 178.97 1ivm h ALA 26 N 1.85 0.90 -0.68 1.25 0.00 -1.92 0.16 119.26 120.82 1ivm h ALA 26 Ca 0.64 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.42 1ivm h ALA 26 Cb 1.41 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1ivm h ALA 26 CO -0.69 0.35 0.17 0.22 0.00 0.00 0.00 179.25 179.30 1ivm h ASP 27 N 0.96 1.00 0.92 0.00 1.82 0.16 0.96 116.42 122.24 1ivm h ASP 27 Ca 0.25 -0.20 -0.04 0.00 -0.39 0.00 0.00 57.03 56.65 1ivm h ASP 27 Cb -0.06 -0.26 0.01 0.00 0.68 0.00 0.00 39.33 39.70 1ivm h ASP 27 CO -0.05 0.96 -0.44 -0.50 -1.61 0.00 0.00 179.24 177.60 1ivm h TRP 28 N 1.02 -1.14 0.74 0.28 -0.00 0.59 1.06 115.95 118.49 1ivm h TRP 28 Ca 0.21 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 59.05 1ivm h TRP 28 Cb 0.35 0.38 -0.01 0.00 -0.00 0.00 0.00 29.16 29.88 1ivm h TRP 28 CO 0.03 -0.71 -0.49 0.28 -0.00 0.00 0.00 178.44 177.55 1ivm h VAL 29 N -1.30 0.03 -0.43 1.49 2.07 -0.59 0.28 116.25 117.80 1ivm h VAL 29 Ca -0.13 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.47 1ivm h VAL 29 Cb 0.95 0.03 -0.09 0.00 -1.52 0.00 0.00 31.29 30.66 1ivm h VAL 29 CO 0.21 0.00 -0.43 0.00 0.02 0.00 0.00 177.57 177.37 1ivm h LEU 31 N -0.31 -0.85 -2.10 0.00 6.46 0.14 1.39 115.31 120.05 1ivm h LEU 31 Ca 0.14 0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 58.08 1ivm h LEU 31 Cb 0.58 0.45 -0.00 0.00 -0.73 0.00 0.00 40.66 40.96 1ivm h LEU 31 CO -0.59 -0.26 -0.08 0.00 -0.62 0.00 0.00 178.44 176.89 1ivm h ALA 32 N 1.17 1.28 0.17 1.25 0.00 0.23 -0.73 119.26 122.63 1ivm h ALA 32 Ca 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1ivm h ALA 32 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ivm h ALA 32 CO -0.59 0.10 -0.08 0.37 0.00 0.00 0.00 179.25 179.04 1ivm h GLN 33 N 0.00 -0.22 0.00 0.00 4.15 1.19 0.13 115.11 120.36 1ivm h GLN 33 Ca -0.00 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 1ivm h GLN 33 Cb 0.25 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.99 1ivm h GLN 33 CO 0.01 0.19 -0.09 1.25 -1.93 0.00 0.00 178.83 178.26 1ivm h HIS 34 N -0.78 0.00 0.13 3.99 2.76 -0.04 -3.12 115.15 118.10 1ivm h HIS 34 Ca -0.02 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1ivm h HIS 34 Cb 0.52 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.48 1ivm h HIS 34 CO 0.07 0.09 -0.06 0.93 -1.30 0.00 0.00 177.93 177.66 1ivm h GLU 35 N 0.00 -0.17 0.00 5.26 4.39 -1.04 -3.49 114.58 119.52 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 0.28 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1ivm h GLU 35 CO 0.01 -0.12 0.00 0.45 -1.16 0.00 0.00 179.01 178.20 1ivm n SER 36 N -3.88 0.00 -1.43 1.42 2.88 0.27 -4.94 113.62 107.93 1ivm n SER 36 Ca -0.02 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.70 1ivm n SER 36 Cb 0.07 0.34 -0.08 0.00 -0.75 0.00 0.00 64.21 63.79 1ivm n SER 36 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ivm n ASN 37 N -2.35 -8.34 0.00 -3.46 5.15 -0.15 -4.58 115.26 101.53 1ivm n ASN 37 Ca 0.00 1.17 0.00 0.00 -0.60 0.00 0.00 54.58 55.15 1ivm n ASN 37 Cb 0.00 -4.74 0.00 0.00 -0.53 0.00 0.00 39.78 34.51 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 -4.31 0.00 -4.42 1.20 4.01 0.55 -4.67 117.16 109.52 1ivm n TYR 38 Ca -0.06 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.37 1ivm n TYR 38 Cb 0.67 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.60 1ivm n TYR 38 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1ivm s ASN 39 N 0.00 4.37 -0.46 7.72 -0.87 -1.26 0.12 114.94 124.56 1ivm s ASN 39 Ca 0.00 -0.29 0.06 0.00 -1.57 0.00 0.00 52.86 51.06 1ivm s ASN 39 Cb 0.00 -0.89 0.41 0.00 -0.02 0.00 0.00 41.25 40.74 1ivm s ASN 39 CO 0.00 0.24 1.06 0.35 -2.57 0.00 0.00 177.10 176.18 1ivm n THR 40 N 1.24 2.35 -0.01 1.60 -2.24 0.84 -4.66 114.28 113.40 1ivm n THR 40 Ca -0.15 -4.91 0.01 0.00 -2.27 0.00 0.00 64.05 56.73 1ivm n THR 40 Cb 0.52 -1.13 0.01 0.00 -2.10 0.00 0.00 70.33 67.64 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 -0.39 2.34 -1.52 -0.78 3.00 -1.26 -3.43 116.66 114.62 1ivm n ARG 41 Ca 0.35 -1.39 -0.44 0.00 -0.00 0.00 0.00 57.85 56.36 1ivm n ARG 41 Cb 0.62 -1.03 -0.05 0.00 0.00 0.00 0.00 32.46 32.00 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 1.20 -3.74 5.13 0.00 -1.26 -4.90 120.51 116.63 1ivm n ALA 42 Ca 0.01 -0.33 -0.14 0.00 0.00 0.00 0.00 53.44 52.99 1ivm n ALA 42 Cb 0.23 -2.80 -0.15 0.00 0.00 0.00 0.00 19.45 16.74 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 8.84 -0.05 -0.37 0.00 -4.23 -1.26 -0.32 115.64 118.24 1ivm s THR 43 Ca 1.06 0.18 0.04 0.00 -1.18 0.00 0.00 61.69 61.79 1ivm s THR 43 Cb -0.57 -0.22 0.16 0.00 1.34 0.00 0.00 72.50 73.21 1ivm s THR 43 CO 0.40 0.07 0.42 0.20 -0.54 0.00 0.00 174.62 175.17 1ivm s ASN 44 N 1.14 0.68 0.38 3.99 0.01 0.42 -4.94 114.94 116.62 1ivm s ASN 44 Ca -0.09 -1.35 -0.08 0.00 -0.71 0.00 0.00 52.86 50.64 1ivm s ASN 44 Cb -0.12 0.83 -0.05 0.00 0.41 0.00 0.00 41.25 42.32 1ivm s ASN 44 CO -0.05 -0.25 0.70 -0.72 -1.51 0.00 0.00 177.10 175.26 1ivm s TYR 45 N 1.60 3.49 -0.29 2.20 -0.85 -1.26 0.19 117.35 122.42 1ivm s TYR 45 Ca 0.16 0.86 0.03 0.00 -0.52 0.00 0.00 57.07 57.60 1ivm s TYR 45 Cb -0.13 -2.30 0.19 0.00 0.38 0.00 0.00 41.96 40.10 1ivm s TYR 45 CO -0.07 -0.04 0.58 -0.80 -1.52 0.00 0.00 175.55 173.70 1ivm s ASN 46 N -3.35 -1.35 0.15 -0.18 -0.87 -1.13 -4.85 114.94 103.36 1ivm s ASN 46 Ca 0.48 0.43 0.06 0.00 -1.57 0.00 0.00 52.86 52.26 1ivm s ASN 46 Cb -0.10 2.00 -0.09 0.00 -0.02 0.00 0.00 41.25 43.04 1ivm s ASN 46 CO 0.33 -0.29 1.34 -0.09 -2.57 0.00 0.00 177.10 175.83 1ivm h ARG 47 N 8.02 0.05 -0.91 -0.60 2.43 -1.95 0.18 114.38 121.60 1ivm h ARG 47 Ca -0.11 -0.07 0.33 0.00 -0.81 0.00 0.00 59.98 59.32 1ivm h ARG 47 Cb 1.17 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.64 1ivm h ARG 47 CO 0.20 0.94 0.57 0.41 -1.51 0.00 0.00 179.97 180.59 1ivm n GLY 48 N 1.10 -0.57 1.81 2.80 0.00 -1.26 0.19 105.19 109.25 1ivm n GLY 48 Ca -0.01 0.54 0.01 0.00 0.00 0.00 0.00 46.02 46.55 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 -4.17 1.64 -3.91 1.61 2.03 -1.24 -5.00 116.55 107.51 1ivm n ASP 49 Ca 0.28 -2.45 -0.29 0.00 0.52 0.00 0.00 54.79 52.84 1ivm n ASP 49 Cb 1.06 -0.39 -0.02 0.00 -0.72 0.00 0.00 41.12 41.04 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 -0.18 -0.67 -3.48 -0.67 -0.06 0.49 -4.89 117.38 107.93 1ivm n GLN 50 Ca 0.12 -0.04 -0.21 0.00 -2.00 0.00 0.00 57.00 54.87 1ivm n GLN 50 Cb 0.96 -1.96 -0.13 0.00 -4.06 0.00 0.00 30.24 25.06 1ivm n GLN 50 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1ivm s SER 51 N -3.97 2.14 -0.20 1.69 1.04 0.62 -4.25 113.70 110.76 1ivm s SER 51 Ca 0.20 -0.73 -0.11 0.00 0.48 0.00 0.00 55.95 55.79 1ivm s SER 51 Cb -0.11 0.18 -0.05 0.00 0.10 0.00 0.00 66.02 66.14 1ivm s SER 51 CO 0.71 -0.38 0.18 -0.89 0.98 0.00 0.00 173.24 173.84 1ivm s THR 52 N 2.26 5.37 -0.37 2.02 2.01 -1.26 -2.85 115.64 122.82 1ivm s THR 52 Ca 0.08 0.28 -0.06 0.00 0.31 0.00 0.00 61.69 62.31 1ivm s THR 52 Cb -0.15 -3.52 0.07 0.00 0.01 0.00 0.00 72.50 68.90 1ivm s THR 52 CO -0.26 0.40 0.16 -1.81 -0.69 0.00 0.00 174.62 172.42 1ivm s ASP 53 N 0.58 5.34 0.20 3.53 1.11 0.51 0.23 116.67 128.17 1ivm s ASP 53 Ca 0.10 -1.47 -0.15 0.00 0.18 0.00 0.00 52.55 51.21 1ivm s ASP 53 Cb -0.12 -1.87 0.01 0.00 1.07 0.00 0.00 42.92 42.01 1ivm s ASP 53 CO 0.01 -0.43 0.48 -0.72 1.18 0.00 0.00 175.17 175.69 1ivm s TYR 54 N 1.33 0.08 0.00 4.23 1.13 0.98 0.16 117.35 125.26 1ivm s TYR 54 Ca 0.01 -0.44 0.00 0.00 -1.41 0.00 0.00 57.07 55.24 1ivm s TYR 54 Cb -0.21 0.28 0.00 0.00 -1.10 0.00 0.00 41.96 40.93 1ivm s TYR 54 CO 0.00 -0.91 0.00 0.41 -2.51 0.00 0.00 175.55 172.54 1ivm n GLY 55 N -0.33 3.20 0.45 5.49 0.00 0.56 -0.18 105.19 114.38 1ivm n GLY 55 Ca -0.07 -1.79 0.27 0.00 0.00 0.00 0.00 46.02 44.42 1ivm n GLY 55 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ivm h ILE 56 N 0.00 0.52 -0.48 -0.61 1.08 -1.86 1.49 117.51 117.65 1ivm h ILE 56 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1ivm h ILE 56 Cb 0.00 0.56 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 1ivm h ILE 56 CO 0.00 0.00 0.00 0.49 -0.69 0.00 0.00 178.15 177.95 1ivm n PHE 57 N -4.15 1.30 -3.32 1.37 3.72 -1.26 -4.03 117.46 111.09 1ivm n PHE 57 Ca 0.16 -0.70 -0.20 0.00 -0.05 0.00 0.00 57.45 56.66 1ivm n PHE 57 Cb 0.91 -0.29 0.02 0.00 -0.94 0.00 0.00 39.48 39.18 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 0.45 -1.32 -4.39 -1.08 -0.06 0.51 -4.96 117.38 106.53 1ivm n GLN 58 Ca 0.23 1.24 -0.31 0.00 -2.00 0.00 0.00 57.00 56.16 1ivm n GLN 58 Cb 0.89 -1.89 -0.10 0.00 -4.06 0.00 0.00 30.24 25.07 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 -1.33 3.52 0.07 1.69 1.01 0.75 -4.79 121.20 122.12 1ivm s ILE 59 Ca 0.20 -0.96 -0.15 0.00 0.00 0.00 0.00 60.65 59.75 1ivm s ILE 59 Cb -0.02 -2.57 -0.06 0.00 0.01 0.00 0.00 42.46 39.81 1ivm s ILE 59 CO 0.51 0.29 0.48 0.21 0.00 0.00 0.00 174.94 176.42 1ivm s ASN 60 N -1.70 6.83 0.00 3.58 3.84 -1.25 -0.01 114.94 126.23 1ivm s ASN 60 Ca 0.19 1.02 0.21 0.00 0.21 0.00 0.00 52.86 54.49 1ivm s ASN 60 Cb -0.11 -2.27 0.66 0.00 -0.55 0.00 0.00 41.25 38.98 1ivm s ASN 60 CO 0.10 0.23 1.50 -0.24 -2.79 0.00 0.00 177.10 175.90 1ivm n SER 61 N 1.35 2.02 0.01 -4.21 2.88 0.64 -1.98 113.62 114.34 1ivm n SER 61 Ca -0.10 -1.78 0.12 0.00 -1.33 0.00 0.00 58.87 55.78 1ivm n SER 61 Cb 0.52 -0.14 0.25 0.00 -0.75 0.00 0.00 64.21 64.09 1ivm n SER 61 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1ivm n ARG 62 N 0.56 0.08 0.00 -1.46 0.63 -1.26 -4.47 116.66 110.74 1ivm n ARG 62 Ca 0.16 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 1ivm n ARG 62 Cb 0.38 -1.55 0.00 0.00 0.45 0.00 0.00 32.46 31.75 1ivm n ARG 62 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1ivm n TYR 63 N -1.66 0.00 -3.88 -0.14 4.01 -1.24 -3.76 117.16 110.49 1ivm n TYR 63 Ca 0.05 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.57 1ivm n TYR 63 Cb 0.36 0.08 -0.05 0.00 -0.31 0.00 0.00 39.34 39.43 1ivm n TYR 63 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1ivm s TRP 64 N -1.60 2.78 0.57 -0.72 0.51 -0.84 0.19 118.94 119.84 1ivm s TRP 64 Ca 0.00 -0.38 0.00 0.00 -2.12 0.00 0.00 56.10 53.60 1ivm s TRP 64 Cb 0.00 -1.82 0.00 0.00 -0.81 0.00 0.00 33.47 30.84 1ivm s TRP 64 CO 0.00 0.18 0.00 0.00 -0.51 0.00 0.00 176.95 176.62 1ivm n ASN 66 N -4.27 0.00 0.08 0.00 4.05 0.04 -3.88 115.26 111.28 1ivm n ASN 66 Ca -0.09 -0.93 0.00 0.00 0.45 0.00 0.00 54.58 54.02 1ivm n ASN 66 Cb 0.64 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.65 1ivm n ASN 66 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 1ivm n ASP 67 N -2.24 0.17 0.00 1.20 2.03 -1.26 -1.29 116.55 115.16 1ivm n ASP 67 Ca 0.00 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1ivm n ASP 67 Cb 0.00 0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 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 2.12 0.74 0.00 0.27 0.00 -1.26 -4.91 105.19 102.14 1ivm n GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.05 1.06 -3.38 1.61 5.02 -1.26 -4.88 118.16 115.27 1ivm n LYS 69 Ca 0.00 -0.99 -0.19 0.00 -2.02 0.00 0.00 58.31 55.11 1ivm n LYS 69 Cb 0.00 -0.98 -0.09 0.00 -0.02 0.00 0.00 35.03 33.95 1ivm n LYS 69 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1ivm s THR 70 N -0.50 -0.27 -1.12 -0.18 -1.32 -1.26 -5.05 115.64 105.93 1ivm s THR 70 Ca 0.00 -1.01 -0.16 0.00 -1.21 0.00 0.00 61.69 59.31 1ivm s THR 70 Cb 0.00 -0.79 -0.07 0.00 -1.51 0.00 0.00 72.50 70.14 1ivm s THR 70 CO 0.00 -0.63 2.16 -0.81 -2.21 0.00 0.00 174.62 173.13 1ivm n PRO 71 N 4.39 2.28 0.01 7.08 -0.04 -1.26 -3.74 135.00 143.71 1ivm n PRO 71 Ca 0.09 -2.11 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 1ivm n PRO 71 Cb 0.44 -2.99 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 1ivm n PRO 71 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ivm n ARG 72 N 6.01 0.00 -1.83 0.54 1.74 -1.26 -5.09 116.66 116.77 1ivm n ARG 72 Ca 0.53 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 57.22 1ivm n ARG 72 Cb 0.35 -0.11 0.04 0.00 -1.02 0.00 0.00 32.46 31.71 1ivm n ARG 72 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ivm s ALA 73 N -2.00 2.84 -0.89 7.54 0.00 -1.25 -4.92 121.76 123.09 1ivm s ALA 73 Ca 0.00 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1ivm s ALA 73 Cb 0.00 -3.55 0.33 0.00 0.00 0.00 0.00 23.12 19.90 1ivm s ALA 73 CO 0.00 -1.30 1.65 1.55 0.00 0.00 0.00 175.76 177.66 1ivm n VAL 74 N -0.96 5.01 -1.50 0.00 3.14 -1.25 -4.99 118.33 117.78 1ivm n VAL 74 Ca 0.10 -5.63 -0.37 0.00 -2.96 0.00 0.00 64.34 55.48 1ivm n VAL 74 Cb 0.45 -1.46 -0.16 0.00 -1.06 0.00 0.00 33.84 31.60 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 -0.18 -0.02 0.07 6.55 6.94 -1.06 -4.44 115.26 123.12 1ivm n ASN 75 Ca 0.44 0.03 0.13 0.00 -0.02 0.00 0.00 54.58 55.16 1ivm n ASN 75 Cb 0.30 -0.86 0.40 0.00 -2.36 0.00 0.00 39.78 37.26 1ivm n ASN 75 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ivm n ALA 76 N 9.64 2.46 -0.01 -2.53 0.00 0.52 -3.26 120.51 127.33 1ivm n ALA 76 Ca 0.66 -0.09 -0.15 0.00 0.00 0.00 0.00 53.44 53.86 1ivm n ALA 76 Cb 0.06 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 17.97 1ivm n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ivm n GLY 78 N 1.79 -0.21 3.19 0.00 0.00 -1.20 -4.90 105.19 103.86 1ivm n GLY 78 Ca -0.25 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.23 0.11 0.19 -0.61 -0.00 -1.26 -5.01 121.20 111.39 1ivm s ILE 79 Ca 0.14 -0.94 -0.31 0.00 -0.00 0.00 0.00 60.65 59.54 1ivm s ILE 79 Cb -0.02 -1.01 -0.11 0.00 -0.00 0.00 0.00 42.46 41.33 1ivm s ILE 79 CO 0.45 -0.52 1.59 0.20 -0.00 0.00 0.00 174.94 176.67 1ivm s ASN 80 N -2.25 6.54 0.20 4.36 0.01 -1.26 -0.78 114.94 121.75 1ivm s ASN 80 Ca -0.03 2.69 -0.10 0.00 -0.71 0.00 0.00 52.86 54.71 1ivm s ASN 80 Cb 0.00 -2.60 0.24 0.00 0.41 0.00 0.00 41.25 39.30 1ivm s ASN 80 CO -0.05 -0.85 1.77 0.00 -1.51 0.00 0.00 177.10 176.46 1ivm h SER 82 N 0.51 0.00 0.29 0.00 0.87 -1.90 0.67 113.55 113.98 1ivm h SER 82 Ca 0.29 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 1ivm h SER 82 Cb 0.27 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1ivm h SER 82 CO -0.24 0.00 -0.04 0.00 -0.53 0.00 0.00 176.83 176.02 1ivm h ALA 83 N 1.52 1.19 -0.60 6.23 0.00 -0.37 0.30 119.26 127.52 1ivm h ALA 83 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ivm h ALA 83 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ivm h ALA 83 CO -0.00 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.58 1ivm n LEU 84 N -3.41 3.69 -1.03 0.00 4.77 0.23 -3.87 117.00 117.38 1ivm n LEU 84 Ca -0.02 -1.85 0.05 0.00 -0.03 0.00 0.00 56.01 54.15 1ivm n LEU 84 Cb 0.17 -0.47 0.08 0.00 -2.33 0.00 0.00 43.42 40.87 1ivm n LEU 84 CO 0.26 0.78 0.20 -0.11 -1.33 0.00 0.00 177.39 177.20 1ivm n LEU 85 N 1.17 1.52 0.00 2.23 0.00 0.10 -4.20 117.00 117.82 1ivm n LEU 85 Ca 0.21 -2.57 0.00 0.00 0.00 0.00 0.00 56.01 53.66 1ivm n LEU 85 Cb 0.64 -0.19 0.00 0.00 0.00 0.00 0.00 43.42 43.86 1ivm n LEU 85 CO 0.17 0.77 0.00 0.00 0.00 0.00 0.00 177.39 178.33 1ivm n GLN 86 N -0.18 2.00 -0.04 1.96 6.02 -1.10 -5.03 117.38 121.01 1ivm n GLN 86 Ca 0.10 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 57.06 1ivm n GLN 86 Cb 0.93 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 32.18 1ivm n GLN 86 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1ivm n ASP 87 N -0.99 1.06 -4.75 1.08 5.68 -1.26 -4.73 116.55 112.63 1ivm n ASP 87 Ca 0.00 0.47 -0.33 0.00 -0.50 0.00 0.00 54.79 54.43 1ivm n ASP 87 Cb 0.00 -0.71 0.07 0.00 -1.14 0.00 0.00 41.12 39.34 1ivm n ASP 87 CO 0.00 0.00 0.00 1.51 -1.33 0.00 0.00 177.20 177.38 1ivm s ASP 88 N -4.82 4.66 0.00 -1.12 1.47 -1.26 -4.60 116.67 111.01 1ivm s ASP 88 Ca -0.09 2.10 0.20 0.00 1.18 0.00 0.00 52.55 55.94 1ivm s ASP 88 Cb 0.01 -2.56 0.53 0.00 -0.34 0.00 0.00 42.92 40.56 1ivm s ASP 88 CO 0.13 -1.94 1.44 2.30 0.68 0.00 0.00 175.17 177.79 1ivm n ILE 89 N -2.71 0.56 -0.33 2.11 -5.35 -1.26 -4.39 119.36 107.98 1ivm n ILE 89 Ca 0.11 -0.67 0.25 0.00 -0.27 0.00 0.00 62.75 62.17 1ivm n ILE 89 Cb 0.52 0.59 0.49 0.00 -1.74 0.00 0.00 39.64 39.50 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 3.52 0.26 -0.16 7.28 2.02 -1.94 1.53 112.91 125.42 1ivm h THR 90 Ca 0.00 -0.10 -0.20 0.00 0.77 0.00 0.00 66.41 66.89 1ivm h THR 90 Cb 0.79 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1ivm h THR 90 CO 0.00 0.05 -0.69 0.00 0.37 0.00 0.00 175.52 175.25 1ivm h ALA 91 N 1.87 0.48 -0.63 6.16 0.00 -1.82 0.11 119.26 125.43 1ivm h ALA 91 Ca 0.75 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1ivm h ALA 91 Cb 1.76 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.48 1ivm h ALA 91 CO -0.62 0.71 0.29 0.00 0.00 0.00 0.00 179.25 179.62 1ivm h ALA 92 N 0.75 1.33 0.10 0.00 0.00 0.16 0.80 119.26 122.40 1ivm h ALA 92 Ca -0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ivm h ALA 92 Cb 1.29 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1ivm h ALA 92 CO 0.14 0.52 -0.05 0.82 0.00 0.00 0.00 179.25 180.68 1ivm h ILE 93 N 0.89 0.93 -0.62 0.00 2.04 -0.07 0.36 117.51 121.05 1ivm h ILE 93 Ca 0.22 -1.37 0.08 0.00 1.00 0.00 0.00 64.86 64.79 1ivm h ILE 93 Cb 0.11 1.64 -0.07 0.00 -0.74 0.00 0.00 36.82 37.77 1ivm h ILE 93 CO -0.03 0.27 0.28 -0.61 0.00 0.00 0.00 178.15 178.06 1ivm h GLN 94 N -0.90 0.48 0.17 2.37 -0.00 -0.64 0.22 115.11 116.81 1ivm h GLN 94 Ca -0.01 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.60 1ivm h GLN 94 Cb 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 27.48 27.92 1ivm h GLN 94 CO 0.02 0.32 -0.08 0.00 0.00 0.00 0.00 178.83 179.09 1ivm h ALA 96 N -0.01 1.25 -0.09 0.00 0.00 0.23 1.87 119.26 122.51 1ivm h ALA 96 Ca -0.02 0.26 -0.21 0.00 0.00 0.00 0.00 54.91 54.94 1ivm h ALA 96 Cb 0.50 0.40 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1ivm h ALA 96 CO 0.04 -0.52 -0.76 1.57 0.00 0.00 0.00 179.25 179.58 1ivm h LYS 97 N 0.13 0.68 0.00 0.00 2.10 -0.49 0.13 116.57 119.11 1ivm h LYS 97 Ca 0.57 -0.61 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 1ivm h LYS 97 Cb 1.17 0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1ivm h LYS 97 CO -0.73 1.21 -0.05 -0.09 -2.00 0.00 0.00 179.45 177.79 1ivm h ARG 98 N 0.35 0.00 0.00 0.07 9.65 0.48 0.40 114.38 125.34 1ivm h ARG 98 Ca -0.07 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.77 1ivm h ARG 98 Cb 1.41 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.98 1ivm h ARG 98 CO 0.15 0.05 -0.58 0.28 2.80 0.00 0.00 179.97 182.68 1ivm h VAL 99 N 0.00 0.18 -0.74 0.20 2.07 0.27 -3.36 116.25 114.86 1ivm h VAL 99 Ca -0.00 -1.21 0.19 0.00 0.82 0.00 0.00 66.70 66.49 1ivm h VAL 99 Cb 0.19 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1ivm h VAL 99 CO 0.01 0.06 0.51 1.62 0.02 0.00 0.00 177.57 179.79 1ivm h VAL 100 N -1.00 0.70 -1.24 2.57 3.04 -0.65 0.13 116.25 119.80 1ivm h VAL 100 Ca -0.06 -0.06 0.36 0.00 -1.01 0.00 0.00 66.70 65.93 1ivm h VAL 100 Cb 0.60 0.51 -0.05 0.00 -2.01 0.00 0.00 31.29 30.34 1ivm h VAL 100 CO -0.03 0.03 1.03 0.03 -1.01 0.00 0.00 177.57 177.61 1ivm h ARG 101 N 0.17 0.00 -6.41 4.17 3.08 -0.34 -3.37 114.38 111.68 1ivm h ARG 101 Ca 0.36 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 60.11 1ivm h ARG 101 Cb 1.17 0.00 0.17 0.00 0.08 0.00 0.00 29.97 31.38 1ivm h ARG 101 CO -0.06 0.00 -0.32 -0.25 -1.07 0.00 0.00 179.97 178.27 1ivm n ASP 102 N -3.83 -3.20 0.17 7.04 9.92 0.46 -4.88 116.55 122.22 1ivm n ASP 102 Ca 0.27 -0.48 0.04 0.00 -0.53 0.00 0.00 54.79 54.09 1ivm n ASP 102 Cb 1.42 -0.88 0.22 0.00 -0.64 0.00 0.00 41.12 41.24 1ivm n ASP 102 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1ivm h PRO 103 N -2.90 0.00 0.00 -0.24 0.13 -1.88 -3.38 132.00 123.74 1ivm h PRO 103 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1ivm h PRO 103 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1ivm h PRO 103 CO 0.22 0.44 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 1ivm n GLN 104 N -3.42 0.00 0.00 0.86 10.64 -1.26 -5.05 117.38 119.15 1ivm n GLN 104 Ca 0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 1ivm n GLN 104 Cb 0.60 -0.38 0.00 0.00 -0.86 0.00 0.00 30.24 29.60 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 0.00 3.27 0.68 2.61 0.00 -1.26 -4.76 105.19 105.73 1ivm n GLY 105 Ca 0.00 -1.92 0.49 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.27 0.00 -0.39 -0.61 2.08 -1.26 0.28 119.36 118.19 1ivm n ILE 106 Ca 0.00 1.43 0.34 0.00 0.56 0.00 0.00 62.75 65.09 1ivm n ILE 106 Cb 0.00 -2.42 0.59 0.00 -0.75 0.00 0.00 39.64 37.06 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 -3.78 -0.04 -0.42 0.38 0.00 -1.26 0.23 116.66 111.77 1ivm n ARG 107 Ca 0.40 1.15 0.34 0.00 -0.00 0.00 0.00 57.85 59.74 1ivm n ARG 107 Cb 1.92 -2.21 0.62 0.00 0.00 0.00 0.00 32.46 32.79 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 1.51 2.64 -0.79 5.13 0.00 -0.53 1.43 119.26 128.66 1ivm h ALA 108 Ca 0.78 0.10 -0.64 0.00 0.00 0.00 0.00 54.91 55.15 1ivm h ALA 108 Cb 2.41 0.17 -0.23 0.00 0.00 0.00 0.00 17.79 20.14 1ivm h ALA 108 CO -0.48 -1.23 0.76 0.91 0.00 0.00 0.00 179.25 179.20 1ivm n TRP 109 N -4.68 2.38 -0.70 0.00 8.01 0.62 -4.70 117.44 118.37 1ivm n TRP 109 Ca 0.35 -2.19 0.52 0.00 -1.31 0.00 0.00 57.50 54.87 1ivm n TRP 109 Cb 1.33 -1.27 0.81 0.00 -2.01 0.00 0.00 31.31 30.16 1ivm n TRP 109 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.69 178.23 1ivm n VAL 110 N 0.04 0.00 -0.35 -0.99 3.14 0.49 0.52 118.33 121.18 1ivm n VAL 110 Ca 0.52 1.46 0.03 0.00 -2.96 0.00 0.00 64.34 63.39 1ivm n VAL 110 Cb 0.40 -2.43 0.10 0.00 -1.06 0.00 0.00 33.84 30.85 1ivm n VAL 110 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ivm h ALA 111 N 0.97 0.48 -0.37 1.55 0.00 -1.84 1.77 119.26 121.84 1ivm h ALA 111 Ca 0.92 0.34 0.03 0.00 0.00 0.00 0.00 54.91 56.21 1ivm h ALA 111 Cb 3.71 0.81 -0.03 0.00 0.00 0.00 0.00 17.79 22.28 1ivm h ALA 111 CO -0.01 -0.46 0.16 2.35 0.00 0.00 0.00 179.25 181.29 1ivm h TRP 112 N -0.01 0.29 0.00 0.00 2.91 -0.30 0.44 115.95 119.29 1ivm h TRP 112 Ca 0.42 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.46 1ivm h TRP 112 Cb 0.67 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 29.24 1ivm h TRP 112 CO -0.78 0.14 0.00 -2.13 -1.03 0.00 0.00 178.44 174.64 1ivm n ARG 113 N -4.97 0.11 -1.06 2.65 0.63 0.52 -0.11 116.66 114.43 1ivm n ARG 113 Ca 0.01 0.21 0.01 0.00 -0.92 0.00 0.00 57.85 57.16 1ivm n ARG 113 Cb 0.11 -1.50 0.14 0.00 0.45 0.00 0.00 32.46 31.66 1ivm n ARG 113 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ivm n ALA 114 N -1.37 3.63 0.04 5.13 0.00 0.35 -4.35 120.51 123.95 1ivm n ALA 114 Ca 0.05 -3.21 0.00 0.00 0.00 0.00 0.00 53.44 50.28 1ivm n ALA 114 Cb 0.12 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.77 -1.95 -0.08 0.00 -0.00 0.10 -4.91 115.22 107.60 1ivm n HIS 115 Ca 0.20 0.23 -0.11 0.00 0.46 0.00 0.00 57.72 58.51 1ivm n HIS 115 Cb 0.81 0.94 -0.06 0.00 -0.12 0.00 0.00 29.99 31.56 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 -0.01 -0.04 0.00 -0.06 -1.06 0.19 117.38 111.84 1ivm n GLN 117 Ca -0.16 0.88 -0.09 0.00 -2.00 0.00 0.00 57.00 55.63 1ivm n GLN 117 Cb 0.42 -1.92 -0.02 0.00 -4.06 0.00 0.00 30.24 24.65 1ivm n GLN 117 CO 0.00 0.00 0.00 -0.97 -0.20 0.00 0.00 177.06 175.89 1ivm h ASN 118 N 0.00 -0.89 -2.13 1.69 -1.24 -1.80 -3.45 115.58 107.76 1ivm h ASN 118 Ca 0.71 0.15 0.00 0.00 0.71 0.00 0.00 56.30 57.87 1ivm h ASN 118 Cb 2.66 0.41 0.00 0.00 0.73 0.00 0.00 38.32 42.12 1ivm h ASN 118 CO -0.13 -0.31 0.00 -1.14 -1.29 0.00 0.00 177.43 174.56 1ivm n ARG 119 N -5.39 1.15 -3.17 6.67 0.63 0.50 -5.10 116.66 111.95 1ivm n ARG 119 Ca -0.01 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.47 1ivm n ARG 119 Cb 0.31 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.16 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 -0.64 6.20 -0.17 6.15 2.15 -1.26 -4.81 116.67 124.28 1ivm s ASP 120 Ca 0.00 -1.24 0.13 0.00 0.43 0.00 0.00 52.55 51.87 1ivm s ASP 120 Cb 0.00 -2.28 0.69 0.00 -0.30 0.00 0.00 42.92 41.03 1ivm s ASP 120 CO 0.00 -0.96 1.56 -0.11 -0.17 0.00 0.00 175.17 175.49 1ivm n LEU 121 N 6.06 4.84 0.23 -1.34 7.94 -1.26 -4.21 117.00 129.26 1ivm n LEU 121 Ca -0.09 -2.45 0.16 0.00 -1.11 0.00 0.00 56.01 52.52 1ivm n LEU 121 Cb 0.44 -0.63 0.66 0.00 0.53 0.00 0.00 43.42 44.41 1ivm n LEU 121 CO 0.55 0.61 0.96 0.28 -1.11 0.00 0.00 177.39 178.68 1ivm h SER 122 N 3.47 0.00 0.69 1.96 0.02 -1.95 -1.44 113.55 116.31 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 1.64 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.18 1ivm h SER 122 CO 0.36 0.00 0.00 1.67 -1.14 0.00 0.00 176.83 177.72 1ivm n GLN 123 N -2.76 0.12 0.14 3.45 -0.06 -1.26 -1.67 117.38 115.33 1ivm n GLN 123 Ca 0.01 0.08 0.00 0.00 -2.00 0.00 0.00 57.00 55.09 1ivm n GLN 123 Cb 0.25 -1.50 0.13 0.00 -4.06 0.00 0.00 30.24 25.06 1ivm n GLN 123 CO 0.00 0.00 0.00 -0.92 -0.20 0.00 0.00 177.06 175.94 1ivm h TYR 124 N 0.00 0.00 0.00 3.69 3.20 -1.59 -3.28 116.97 118.99 1ivm h TYR 124 Ca 0.00 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.60 1ivm h TYR 124 Cb 0.35 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.57 1ivm h TYR 124 CO 0.00 0.61 -2.08 0.44 -1.64 0.00 0.00 178.16 175.49 1ivm n ILE 125 N -3.52 1.00 -2.24 1.81 -5.35 -1.11 -4.71 119.36 105.24 1ivm n ILE 125 Ca -0.00 -0.66 -0.43 0.00 -0.27 0.00 0.00 62.75 61.39 1ivm n ILE 125 Cb 0.67 -0.50 -0.02 0.00 -1.74 0.00 0.00 39.64 38.05 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 -2.48 4.19 0.00 6.28 6.06 -0.67 -2.09 118.95 130.25 1ivm s ARG 126 Ca -0.08 1.87 0.00 0.00 -2.50 0.00 0.00 55.73 55.03 1ivm s ARG 126 Cb 0.05 -3.87 0.00 0.00 0.06 0.00 0.00 34.95 31.20 1ivm s ARG 126 CO 0.67 -0.79 0.00 -1.71 -2.50 0.00 0.00 175.30 170.97 1ivm n ASN 127 N 6.91 -1.43 -0.09 -2.12 5.15 -1.26 -4.81 115.26 117.61 1ivm n ASN 127 Ca 0.15 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.03 1ivm n ASN 127 Cb 0.44 -0.44 -0.15 0.00 -0.53 0.00 0.00 39.78 39.09 1ivm n ASN 127 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ivm n GLY 129 N 1.78 1.36 0.44 0.00 0.00 -1.26 -4.75 105.19 102.77 1ivm n GLY 129 Ca -0.32 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.84 1ivm n GLY 129 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87