#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 0.86 0.09 0.58 1.01 -1.26 -0.23 120.40 121.45 1ivm s VAL 2 Ca 0.00 -0.25 -0.23 0.00 0.00 0.00 0.00 61.98 61.50 1ivm s VAL 2 Cb 0.00 -0.87 0.06 0.00 0.00 0.00 0.00 36.38 35.58 1ivm s VAL 2 CO 0.00 0.32 0.57 -0.72 0.00 0.00 0.00 175.10 175.27 1ivm s TYR 3 N 1.28 -0.50 0.41 5.22 -0.85 0.66 -4.92 117.35 118.65 1ivm s TYR 3 Ca -0.04 0.46 0.00 0.00 -0.52 0.00 0.00 57.07 56.97 1ivm s TYR 3 Cb -0.14 0.45 -0.00 0.00 0.38 0.00 0.00 41.96 42.65 1ivm s TYR 3 CO -0.03 -0.74 0.01 -0.85 -1.52 0.00 0.00 175.55 172.42 1ivm n GLU 4 N 0.07 0.98 -0.21 -3.49 0.00 -1.26 0.27 120.64 116.99 1ivm n GLU 4 Ca -0.18 -2.99 -0.06 0.00 0.00 0.00 0.00 57.16 53.93 1ivm n GLU 4 Cb 0.62 0.86 -0.05 0.00 0.00 0.00 0.00 31.44 32.87 1ivm n GLU 4 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 1ivm h ARG 5 N 0.00 -0.02 0.00 3.44 0.11 -1.92 0.71 114.38 116.70 1ivm h ARG 5 Ca -0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.75 1ivm h ARG 5 Cb 1.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.12 1ivm h ARG 5 CO 0.56 -0.01 0.00 0.00 0.10 0.00 0.00 179.97 180.61 1ivm n GLU 7 N -0.76 -0.12 -0.23 0.00 -0.58 -1.05 0.83 120.64 118.73 1ivm n GLU 7 Ca 0.00 0.75 -0.06 0.00 -0.42 0.00 0.00 57.16 57.43 1ivm n GLU 7 Cb 0.00 -1.12 -0.01 0.00 -0.57 0.00 0.00 31.44 29.74 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 -1.14 -0.42 -0.32 3.57 0.79 0.39 116.94 119.81 1ivm h PHE 8 Ca 0.04 0.08 0.09 0.00 3.53 0.00 0.00 57.97 61.71 1ivm h PHE 8 Cb 0.11 0.59 -0.09 0.00 2.79 0.00 0.00 35.95 39.35 1ivm h PHE 8 CO -0.60 -0.40 -0.19 0.00 -2.23 0.00 0.00 178.31 174.88 1ivm h ALA 9 N 0.84 0.12 0.32 2.41 0.00 0.80 1.08 119.26 124.84 1ivm h ALA 9 Ca 0.22 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1ivm h ALA 9 Cb 0.56 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1ivm h ALA 9 CO -0.73 -0.55 -0.40 -0.09 0.00 0.00 0.00 179.25 177.48 1ivm h ARG 10 N -0.11 -0.74 0.04 0.00 2.43 0.22 0.15 114.38 116.36 1ivm h ARG 10 Ca 0.20 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.45 1ivm h ARG 10 Cb 0.43 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 1ivm h ARG 10 CO -0.49 -0.50 -0.26 1.15 -1.51 0.00 0.00 179.97 178.37 1ivm h THR 11 N -0.77 0.42 -0.57 0.20 2.02 0.46 0.85 112.91 115.53 1ivm h THR 11 Ca -0.02 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.27 1ivm h THR 11 Cb 0.72 0.42 -0.11 0.00 -1.74 0.00 0.00 68.15 67.44 1ivm h THR 11 CO -0.11 0.00 -0.23 -0.07 0.37 0.00 0.00 175.52 175.48 1ivm h LEU 12 N -0.42 -0.80 -1.42 2.58 4.07 0.14 1.80 115.31 121.27 1ivm h LEU 12 Ca 0.05 0.20 -0.06 0.00 0.08 0.00 0.00 57.88 58.15 1ivm h LEU 12 Cb 0.48 0.45 -0.01 0.00 1.08 0.00 0.00 40.66 42.66 1ivm h LEU 12 CO -0.20 -0.25 -0.29 0.50 -1.08 0.00 0.00 178.44 177.12 1ivm h LYS 13 N -0.09 0.00 0.00 1.13 3.64 -0.00 0.67 116.57 121.92 1ivm h LYS 13 Ca 0.26 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.56 1ivm h LYS 13 Cb 0.49 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1ivm h LYS 13 CO -0.63 0.29 -0.37 -0.09 -2.27 0.00 0.00 179.45 176.38 1ivm h ARG 14 N 0.00 0.00 0.14 1.90 2.43 0.80 -3.23 114.38 116.43 1ivm h ARG 14 Ca -0.00 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.80 1ivm h ARG 14 Cb 0.53 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1ivm h ARG 14 CO 0.04 0.37 -1.96 -0.97 -1.51 0.00 0.00 179.97 175.95 1ivm h ASN 15 N 0.00 0.45 0.00 -3.80 -0.73 0.33 -3.49 115.58 108.34 1ivm h ASN 15 Ca -0.00 -0.95 0.00 0.00 1.87 0.00 0.00 56.30 57.21 1ivm h ASN 15 Cb 1.08 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 39.52 1ivm h ASN 15 CO 0.05 1.85 0.00 0.61 -0.37 0.00 0.00 177.43 179.57 1ivm n GLY 16 N 1.97 0.90 0.00 1.57 0.00 0.21 -5.05 105.19 104.79 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 -1.43 1.61 0.00 0.03 -4.88 117.12 113.00 1ivm n MET 17 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 57.70 57.19 1ivm n MET 17 Cb 0.00 -0.92 -0.07 0.00 0.00 0.00 0.00 33.22 32.23 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 -2.24 1.00 -1.75 -5.12 0.00 -1.21 0.95 120.51 112.14 1ivm n ALA 18 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1ivm n ALA 18 Cb 0.42 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.36 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 6.58 0.76 2.98 0.00 0.00 -1.23 -4.69 105.19 109.60 1ivm n GLY 19 Ca 0.42 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.03 -2.42 -0.30 1.61 9.36 0.27 -4.71 117.16 117.94 1ivm n TYR 20 Ca 0.00 -0.01 0.04 0.00 3.32 0.00 0.00 57.90 61.26 1ivm n TYR 20 Cb 0.41 -1.37 0.11 0.00 -0.63 0.00 0.00 39.34 37.86 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 -4.33 0.27 0.06 2.98 4.02 -1.26 -4.05 117.16 114.84 1ivm n TYR 21 Ca 0.06 1.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.95 1ivm n TYR 21 Cb 0.30 -0.96 0.00 0.00 -0.02 0.00 0.00 39.34 38.66 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 -1.50 -0.08 3.69 2.72 0.00 -1.26 -5.03 105.19 103.73 1ivm n GLY 22 Ca 0.13 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.46 0.31 -3.37 1.61 0.31 -1.26 -4.92 118.33 107.56 1ivm n VAL 23 Ca 0.00 -0.06 -0.34 0.00 -0.01 0.00 0.00 64.34 63.94 1ivm n VAL 23 Cb 0.00 -1.28 -0.06 0.00 -0.91 0.00 0.00 33.84 31.59 1ivm n VAL 23 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ivm s SER 24 N 3.25 6.74 0.27 4.52 0.15 -1.26 -0.20 113.70 127.17 1ivm s SER 24 Ca 0.96 1.03 -0.02 0.00 0.70 0.00 0.00 55.95 58.62 1ivm s SER 24 Cb -0.99 -2.27 0.59 0.00 -1.71 0.00 0.00 66.02 61.63 1ivm s SER 24 CO 0.61 0.02 1.64 0.25 1.20 0.00 0.00 173.24 176.96 1ivm h LEU 25 N 3.09 -0.14 -0.99 3.45 5.85 -1.84 1.18 115.31 125.91 1ivm h LEU 25 Ca -0.48 0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.45 1ivm h LEU 25 Cb 1.18 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 42.46 1ivm h LEU 25 CO 0.67 -0.15 0.66 0.00 -0.34 0.00 0.00 178.44 179.27 1ivm h ALA 26 N 1.74 1.26 -0.53 1.25 0.00 -1.93 0.17 119.26 121.22 1ivm h ALA 26 Ca 0.49 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.25 1ivm h ALA 26 Cb 0.93 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1ivm h ALA 26 CO -0.65 0.64 0.01 -0.44 0.00 0.00 0.00 179.25 178.81 1ivm h ASP 27 N 1.34 0.86 0.68 0.00 5.19 0.77 0.22 116.42 125.49 1ivm h ASP 27 Ca 0.36 -0.22 -0.03 0.00 -0.62 0.00 0.00 57.03 56.52 1ivm h ASP 27 Cb -0.15 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 39.14 1ivm h ASP 27 CO -0.08 0.92 -0.33 -0.50 -3.12 0.00 0.00 179.24 176.13 1ivm h TRP 28 N 0.83 -0.85 0.18 4.55 -0.00 0.11 0.83 115.95 121.60 1ivm h TRP 28 Ca 0.16 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.03 1ivm h TRP 28 Cb 0.48 0.28 -0.03 0.00 -0.00 0.00 0.00 29.16 29.89 1ivm h TRP 28 CO 0.03 -0.50 -0.39 0.28 -0.00 0.00 0.00 178.44 177.86 1ivm h VAL 29 N -1.10 0.00 -0.75 1.49 2.07 -0.61 0.90 116.25 118.26 1ivm h VAL 29 Ca -0.09 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.59 1ivm h VAL 29 Cb 0.74 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.40 1ivm h VAL 29 CO 0.15 0.00 0.20 0.00 0.02 0.00 0.00 177.57 177.94 1ivm h LEU 31 N 0.29 -0.73 -1.83 0.00 5.85 0.19 0.30 115.31 119.38 1ivm h LEU 31 Ca 0.43 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.23 1ivm h LEU 31 Cb 0.73 0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1ivm h LEU 31 CO -0.51 -0.35 0.00 0.00 -0.34 0.00 0.00 178.44 177.24 1ivm h ALA 32 N 0.26 1.00 0.25 1.25 0.00 0.32 -0.90 119.26 121.43 1ivm h ALA 32 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ivm h ALA 32 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ivm h ALA 32 CO -0.14 0.00 -0.12 0.37 0.00 0.00 0.00 179.25 179.36 1ivm h GLN 33 N 0.00 -0.32 0.00 0.00 5.75 0.46 0.74 115.11 121.75 1ivm h GLN 33 Ca 0.00 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1ivm h GLN 33 Cb 0.30 0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.92 1ivm h GLN 33 CO 0.00 0.00 0.00 1.25 -2.65 0.00 0.00 178.83 177.43 1ivm h HIS 34 N -0.97 0.00 0.02 3.99 2.76 -0.34 -3.21 115.15 117.41 1ivm h HIS 34 Ca -0.03 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1ivm h HIS 34 Cb 0.47 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.43 1ivm h HIS 34 CO 0.05 0.00 -0.01 0.93 -1.30 0.00 0.00 177.93 177.60 1ivm h GLU 35 N 0.00 -0.03 0.00 5.26 4.39 -1.14 -3.50 114.58 119.56 1ivm h GLU 35 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ivm h GLU 35 Cb 0.33 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1ivm h GLU 35 CO 0.00 -0.02 0.00 0.45 -1.16 0.00 0.00 179.01 178.28 1ivm n SER 36 N -2.96 0.00 -0.94 1.42 2.88 0.04 -4.95 113.62 109.11 1ivm n SER 36 Ca -0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1ivm n SER 36 Cb 0.01 0.47 -0.04 0.00 -0.75 0.00 0.00 64.21 63.90 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 -2.48 -5.62 0.00 -3.46 2.85 0.01 -4.75 115.26 101.82 1ivm n ASN 37 Ca 0.00 0.60 0.00 0.00 -0.11 0.00 0.00 54.58 55.07 1ivm n ASN 37 Cb 0.00 -2.99 0.00 0.00 1.24 0.00 0.00 39.78 38.03 1ivm n ASN 37 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1ivm n TYR 38 N -3.54 0.00 -4.10 1.20 4.01 0.76 -4.70 117.16 110.79 1ivm n TYR 38 Ca -0.02 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.57 1ivm n TYR 38 Cb 0.43 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.35 1ivm n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1ivm s ASN 39 N 0.00 1.14 -0.82 7.72 3.84 -1.25 0.24 114.94 125.80 1ivm s ASN 39 Ca 0.00 -0.58 0.02 0.00 0.21 0.00 0.00 52.86 52.51 1ivm s ASN 39 Cb 0.00 0.01 0.29 0.00 -0.55 0.00 0.00 41.25 41.00 1ivm s ASN 39 CO 0.00 -0.16 1.14 0.35 -2.79 0.00 0.00 177.10 175.64 1ivm n THR 40 N 1.38 3.87 0.35 -5.21 -2.24 0.68 -4.64 114.28 108.46 1ivm n THR 40 Ca -0.22 -5.60 0.04 0.00 -2.27 0.00 0.00 64.05 56.00 1ivm n THR 40 Cb 0.55 -1.94 0.02 0.00 -2.10 0.00 0.00 70.33 66.86 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 0.75 1.13 -1.43 -0.78 0.63 -1.26 -4.71 116.66 110.98 1ivm n ARG 41 Ca 0.31 -0.78 -0.46 0.00 -0.92 0.00 0.00 57.85 55.99 1ivm n ARG 41 Cb 0.36 -1.09 -0.14 0.00 0.45 0.00 0.00 32.46 32.04 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 0.11 0.29 -3.57 5.13 0.00 -1.26 -4.83 120.51 116.38 1ivm n ALA 42 Ca 0.04 -0.16 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 1ivm n ALA 42 Cb 0.19 -2.24 -0.13 0.00 0.00 0.00 0.00 19.45 17.27 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 8.24 -0.38 -0.32 0.00 -4.23 -1.24 0.92 115.64 118.64 1ivm s THR 43 Ca 1.31 0.11 0.01 0.00 -1.18 0.00 0.00 61.69 61.93 1ivm s THR 43 Cb -1.30 -0.55 0.14 0.00 1.34 0.00 0.00 72.50 72.13 1ivm s THR 43 CO 0.53 -0.02 0.32 0.20 -0.54 0.00 0.00 174.62 175.11 1ivm s ASN 44 N 2.38 1.57 0.40 3.99 -0.87 0.27 -4.96 114.94 117.72 1ivm s ASN 44 Ca 0.05 -1.04 -0.09 0.00 -1.57 0.00 0.00 52.86 50.21 1ivm s ASN 44 Cb -0.14 0.50 -0.06 0.00 -0.02 0.00 0.00 41.25 41.53 1ivm s ASN 44 CO -0.10 -0.35 0.73 -0.72 -2.57 0.00 0.00 177.10 174.09 1ivm s TYR 45 N 2.05 3.49 -0.30 2.20 -0.85 -1.26 0.24 117.35 122.92 1ivm s TYR 45 Ca 0.12 0.93 0.01 0.00 -0.52 0.00 0.00 57.07 57.61 1ivm s TYR 45 Cb -0.15 -2.36 0.19 0.00 0.38 0.00 0.00 41.96 40.03 1ivm s TYR 45 CO -0.23 -0.08 0.65 -0.80 -1.52 0.00 0.00 175.55 173.56 1ivm s ASN 46 N -3.31 -1.40 0.23 -0.18 0.01 0.13 -4.89 114.94 105.52 1ivm s ASN 46 Ca 0.49 0.48 0.07 0.00 -0.71 0.00 0.00 52.86 53.20 1ivm s ASN 46 Cb -0.10 2.02 0.19 0.00 0.41 0.00 0.00 41.25 43.77 1ivm s ASN 46 CO 0.33 -0.26 1.52 -0.09 -1.51 0.00 0.00 177.10 177.09 1ivm h ARG 47 N 7.96 0.08 -1.13 -0.60 9.65 -1.95 0.13 114.38 128.53 1ivm h ARG 47 Ca -0.12 -0.07 0.40 0.00 -1.10 0.00 0.00 59.98 59.09 1ivm h ARG 47 Cb 1.18 0.02 -0.12 0.00 -1.39 0.00 0.00 29.97 29.65 1ivm h ARG 47 CO 0.17 0.76 0.72 0.41 2.80 0.00 0.00 179.97 184.83 1ivm n GLY 48 N 0.51 -0.70 1.44 2.80 0.00 -1.26 0.21 105.19 108.19 1ivm n GLY 48 Ca -0.02 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 -4.39 1.84 -3.93 1.61 2.03 -1.22 -4.99 116.55 107.51 1ivm n ASP 49 Ca 0.33 -2.90 -0.28 0.00 0.52 0.00 0.00 54.79 52.46 1ivm n ASP 49 Cb 1.29 -0.41 -0.04 0.00 -0.72 0.00 0.00 41.12 41.24 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 -0.38 -0.73 -3.89 -0.67 -0.06 0.55 -4.90 117.38 107.30 1ivm n GLN 50 Ca 0.16 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 55.06 1ivm n GLN 50 Cb 0.92 -2.26 -0.09 0.00 -4.06 0.00 0.00 30.24 24.74 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 -3.99 0.11 -0.10 1.69 1.04 0.45 -4.46 113.70 108.44 1ivm s SER 51 Ca 0.15 -0.46 -0.05 0.00 0.48 0.00 0.00 55.95 56.07 1ivm s SER 51 Cb -0.08 0.26 0.05 0.00 0.10 0.00 0.00 66.02 66.34 1ivm s SER 51 CO 0.75 -0.53 0.24 -0.89 0.98 0.00 0.00 173.24 173.79 1ivm s THR 52 N -2.58 -0.04 -0.79 2.02 2.01 -1.26 0.19 115.64 115.19 1ivm s THR 52 Ca -0.05 0.14 -0.17 0.00 0.31 0.00 0.00 61.69 61.93 1ivm s THR 52 Cb -0.01 -0.38 0.16 0.00 0.01 0.00 0.00 72.50 72.29 1ivm s THR 52 CO -0.04 0.06 0.84 -1.81 -0.69 0.00 0.00 174.62 172.97 1ivm s ASP 53 N 1.21 6.56 0.20 3.53 1.01 0.65 0.25 116.67 130.09 1ivm s ASP 53 Ca -0.09 -2.18 0.10 0.00 0.71 0.00 0.00 52.55 51.09 1ivm s ASP 53 Cb -0.10 -2.28 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 1ivm s ASP 53 CO -0.08 -0.85 -0.20 -0.31 0.21 0.00 0.00 175.17 173.94 1ivm s TYR 54 N 1.51 2.09 0.00 4.23 1.51 0.15 0.94 117.35 127.78 1ivm s TYR 54 Ca 0.20 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 1ivm s TYR 54 Cb -0.13 -1.00 0.00 0.00 -0.11 0.00 0.00 41.96 40.72 1ivm s TYR 54 CO -0.05 0.48 0.00 0.41 -1.11 0.00 0.00 175.55 175.28 1ivm n GLY 55 N 0.02 2.18 0.44 0.71 0.00 0.26 0.49 105.19 109.29 1ivm n GLY 55 Ca -0.11 -1.64 0.25 0.00 0.00 0.00 0.00 46.02 44.52 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 0.61 -0.30 -0.61 2.10 -1.80 1.31 117.51 118.81 1ivm h ILE 56 Ca 0.00 -0.05 -0.03 0.00 1.08 0.00 0.00 64.86 65.86 1ivm h ILE 56 Cb 0.00 0.46 -0.02 0.00 -1.09 0.00 0.00 36.82 36.17 1ivm h ILE 56 CO 0.00 0.03 0.04 0.49 -1.08 0.00 0.00 178.15 177.62 1ivm n PHE 57 N -4.37 1.06 -3.82 2.19 3.72 -1.26 -3.97 117.46 111.00 1ivm n PHE 57 Ca 0.18 -0.45 -0.29 0.00 -0.05 0.00 0.00 57.45 56.84 1ivm n PHE 57 Cb 0.84 -0.33 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 0.23 -1.13 -3.45 -1.08 -0.06 0.45 -4.89 117.38 107.44 1ivm n GLN 58 Ca 0.15 0.52 -0.38 0.00 -2.00 0.00 0.00 57.00 55.29 1ivm n GLN 58 Cb 0.75 -2.12 -0.06 0.00 -4.06 0.00 0.00 30.24 24.75 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 -3.11 5.09 0.02 1.69 1.01 0.18 -4.78 121.20 121.29 1ivm s ILE 59 Ca 0.12 0.85 -0.29 0.00 0.00 0.00 0.00 60.65 61.34 1ivm s ILE 59 Cb -0.07 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 1ivm s ILE 59 CO 0.87 0.49 0.92 0.20 0.00 0.00 0.00 174.94 177.42 1ivm s ASN 60 N -0.49 7.33 0.00 3.58 0.01 -1.25 0.34 114.94 124.47 1ivm s ASN 60 Ca 0.24 1.60 0.11 0.00 -0.71 0.00 0.00 52.86 54.10 1ivm s ASN 60 Cb -0.16 -2.54 0.53 0.00 0.41 0.00 0.00 41.25 39.49 1ivm s ASN 60 CO 0.12 -0.17 1.36 -0.24 -1.51 0.00 0.00 177.10 176.66 1ivm n SER 61 N 3.54 0.57 -0.85 -1.22 2.88 0.71 -2.73 113.62 116.52 1ivm n SER 61 Ca 0.03 -1.77 0.06 0.00 -1.33 0.00 0.00 58.87 55.87 1ivm n SER 61 Cb 0.51 -0.06 0.19 0.00 -0.75 0.00 0.00 64.21 64.10 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 -0.30 2.15 0.00 -1.46 1.85 -1.26 -4.44 116.66 113.20 1ivm n ARG 62 Ca 0.09 -1.57 0.00 0.00 -1.00 0.00 0.00 57.85 55.37 1ivm n ARG 62 Cb 0.12 -1.41 0.00 0.00 -1.05 0.00 0.00 32.46 30.12 1ivm n ARG 62 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1ivm n TYR 63 N 0.70 -1.18 -4.43 2.89 4.01 -1.20 -4.63 117.16 113.32 1ivm n TYR 63 Ca 0.14 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.62 1ivm n TYR 63 Cb 0.41 0.42 -0.11 0.00 -0.31 0.00 0.00 39.34 39.75 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 -1.84 2.31 0.41 -0.72 0.52 -1.10 -2.68 118.94 115.82 1ivm s TRP 64 Ca 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 56.10 55.77 1ivm s TRP 64 Cb 0.00 -1.12 0.00 0.00 -1.15 0.00 0.00 33.47 31.20 1ivm s TRP 64 CO 0.00 0.54 0.00 0.00 0.02 0.00 0.00 176.95 177.51 1ivm n ASN 66 N 0.06 0.00 0.01 0.00 5.15 -0.57 -4.63 115.26 115.28 1ivm n ASN 66 Ca 0.00 -0.67 -0.02 0.00 -0.60 0.00 0.00 54.58 53.29 1ivm n ASN 66 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.24 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 -0.62 0.51 0.00 1.20 2.03 -1.26 -2.56 116.55 115.85 1ivm n ASP 67 Ca 0.00 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.38 1ivm n ASP 67 Cb 0.00 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.23 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 3.05 0.98 0.18 0.27 0.00 -1.26 -4.94 105.19 103.46 1ivm n GLY 68 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.37 0.45 -3.66 1.61 4.81 -1.26 -4.78 118.16 114.95 1ivm n LYS 69 Ca 0.00 -0.37 -0.39 0.00 -0.87 0.00 0.00 58.31 56.68 1ivm n LYS 69 Cb 0.00 -1.49 -0.10 0.00 0.02 0.00 0.00 35.03 33.45 1ivm n LYS 69 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1ivm s THR 70 N -2.80 3.89 -0.63 3.15 -1.32 -1.26 -4.98 115.64 111.70 1ivm s THR 70 Ca 0.12 -1.61 -0.06 0.00 -1.21 0.00 0.00 61.69 58.93 1ivm s THR 70 Cb 0.17 -3.46 -0.13 0.00 -1.51 0.00 0.00 72.50 67.56 1ivm s THR 70 CO 0.75 -0.56 2.65 -0.81 -2.21 0.00 0.00 174.62 174.44 1ivm n PRO 71 N 4.81 2.16 0.02 7.08 -0.04 -1.26 -3.69 135.00 144.08 1ivm n PRO 71 Ca -0.08 -1.28 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 1ivm n PRO 71 Cb 0.42 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 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 3.30 0.00 -0.13 0.54 0.63 -1.26 -5.12 116.66 114.63 1ivm n ARG 72 Ca 0.46 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 57.31 1ivm n ARG 72 Cb 0.42 0.00 0.08 0.00 0.45 0.00 0.00 32.46 33.41 1ivm n ARG 72 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ivm n ALA 73 N -2.61 -1.38 -3.33 5.13 0.00 -1.24 -5.03 120.51 112.05 1ivm n ALA 73 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 53.44 52.92 1ivm n ALA 73 Cb 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 19.45 19.35 1ivm n ALA 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ivm s VAL 74 N -1.21 -0.53 -0.58 0.00 -7.23 -1.26 -5.03 120.40 104.56 1ivm s VAL 74 Ca 0.17 -0.48 -0.11 0.00 -1.81 0.00 0.00 61.98 59.75 1ivm s VAL 74 Cb -0.03 -0.86 -0.10 0.00 0.56 0.00 0.00 36.38 35.94 1ivm s VAL 74 CO 0.15 -0.38 1.76 -3.20 -0.31 0.00 0.00 175.10 173.12 1ivm n ASN 75 N 5.03 2.80 0.27 4.85 4.05 -1.26 -4.16 115.26 126.84 1ivm n ASN 75 Ca 0.03 -2.36 0.14 0.00 0.45 0.00 0.00 54.58 52.84 1ivm n ASN 75 Cb 0.48 -0.90 0.75 0.00 1.23 0.00 0.00 39.78 41.34 1ivm n ASN 75 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ivm h ALA 76 N 7.50 1.18 0.00 5.20 0.00 -1.87 1.15 119.26 132.43 1ivm h ALA 76 Ca 0.34 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.98 1ivm h ALA 76 Cb 0.32 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1ivm h ALA 76 CO 1.55 -0.18 -1.57 0.00 0.00 0.00 0.00 179.25 179.05 1ivm n GLY 78 N 1.51 -0.21 3.32 0.00 0.00 0.40 -4.96 105.19 105.26 1ivm n GLY 78 Ca -0.13 0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.24 0.04 -0.08 -0.61 -0.00 -1.26 -5.07 121.20 110.98 1ivm s ILE 79 Ca 0.11 -0.32 -0.30 0.00 -0.00 0.00 0.00 60.65 60.14 1ivm s ILE 79 Cb -0.01 -0.72 -0.03 0.00 -0.00 0.00 0.00 42.46 41.70 1ivm s ILE 79 CO 0.48 -0.18 1.20 0.20 -0.00 0.00 0.00 174.94 176.64 1ivm s ASN 80 N -1.22 7.04 0.58 4.36 -0.87 -1.25 -1.51 114.94 122.06 1ivm s ASN 80 Ca -0.12 1.78 0.33 0.00 -1.57 0.00 0.00 52.86 53.27 1ivm s ASN 80 Cb -0.04 -2.55 1.36 0.00 -0.02 0.00 0.00 41.25 39.99 1ivm s ASN 80 CO 0.06 -0.61 1.64 0.00 -2.57 0.00 0.00 177.10 175.62 1ivm h SER 82 N 0.00 0.89 0.00 0.00 0.87 -1.89 0.55 113.55 113.97 1ivm h SER 82 Ca 0.48 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.07 1ivm h SER 82 Cb 2.34 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 64.15 1ivm h SER 82 CO -0.01 0.51 0.09 0.00 -0.53 0.00 0.00 176.83 176.90 1ivm h ALA 83 N 1.53 1.09 -0.68 6.23 0.00 0.16 1.15 119.26 128.74 1ivm h ALA 83 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1ivm h ALA 83 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ivm h ALA 83 CO -0.21 -0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.23 1ivm n LEU 84 N -2.85 4.62 -0.53 0.00 4.77 0.19 -3.97 117.00 119.22 1ivm n LEU 84 Ca -0.02 -2.34 0.05 0.00 -0.03 0.00 0.00 56.01 53.66 1ivm n LEU 84 Cb 0.15 -0.56 0.09 0.00 -2.33 0.00 0.00 43.42 40.76 1ivm n LEU 84 CO 0.16 0.86 0.35 -0.11 -1.33 0.00 0.00 177.39 177.32 1ivm n LEU 85 N 1.28 1.41 0.00 2.23 0.00 0.39 -3.99 117.00 118.32 1ivm n LEU 85 Ca 0.26 -2.36 0.00 0.00 0.00 0.00 0.00 56.01 53.91 1ivm n LEU 85 Cb 0.84 -0.23 0.00 0.00 0.00 0.00 0.00 43.42 44.02 1ivm n LEU 85 CO 0.23 0.64 0.00 0.00 0.00 0.00 0.00 177.39 178.25 1ivm n GLN 86 N -0.60 2.37 0.02 1.96 10.64 -1.13 -5.04 117.38 125.61 1ivm n GLN 86 Ca 0.10 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 55.24 1ivm n GLN 86 Cb 0.75 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 30.12 1ivm n GLN 86 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 1ivm h ASP 87 N 0.00 -0.12 -1.46 2.61 1.82 -1.94 -3.43 116.42 113.91 1ivm h ASP 87 Ca 0.00 0.00 -0.65 0.00 -0.39 0.00 0.00 57.03 56.00 1ivm h ASP 87 Cb 0.00 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.04 1ivm h ASP 87 CO 0.00 0.25 1.36 0.47 -1.61 0.00 0.00 179.24 179.71 1ivm n ASP 88 N -4.29 2.60 -0.35 2.28 8.00 -1.26 -4.74 116.55 118.80 1ivm n ASP 88 Ca -0.02 0.49 0.12 0.00 0.71 0.00 0.00 54.79 56.09 1ivm n ASP 88 Cb 0.06 -1.34 0.54 0.00 -0.02 0.00 0.00 41.12 40.36 1ivm n ASP 88 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1ivm n ILE 89 N 6.87 0.08 -0.41 0.53 -5.35 -1.26 -4.13 119.36 115.68 1ivm n ILE 89 Ca 0.35 -0.20 0.33 0.00 -0.27 0.00 0.00 62.75 62.96 1ivm n ILE 89 Cb 0.28 0.16 0.61 0.00 -1.74 0.00 0.00 39.64 38.95 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 1.52 0.17 -0.20 7.28 2.02 -1.90 1.66 112.91 123.46 1ivm h THR 90 Ca 0.00 -0.05 -0.15 0.00 0.77 0.00 0.00 66.41 66.98 1ivm h THR 90 Cb 0.33 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1ivm h THR 90 CO 0.00 0.02 -0.47 0.00 0.37 0.00 0.00 175.52 175.44 1ivm h ALA 91 N 1.68 0.32 -1.00 6.16 0.00 -1.82 0.15 119.26 124.75 1ivm h ALA 91 Ca 0.79 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1ivm h ALA 91 Cb 2.33 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 20.03 1ivm h ALA 91 CO -0.47 0.48 0.66 0.00 0.00 0.00 0.00 179.25 179.91 1ivm h ALA 92 N 0.59 1.27 -0.01 0.00 0.00 0.20 0.62 119.26 121.92 1ivm h ALA 92 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1ivm h ALA 92 Cb 1.08 -0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ivm h ALA 92 CO 0.10 0.67 -0.02 0.82 0.00 0.00 0.00 179.25 180.82 1ivm h ILE 93 N 1.36 1.44 -0.29 0.00 2.04 -0.33 0.61 117.51 122.33 1ivm h ILE 93 Ca 0.37 -1.32 0.04 0.00 1.00 0.00 0.00 64.86 64.95 1ivm h ILE 93 Cb -0.15 2.30 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 1ivm h ILE 93 CO -0.08 0.35 0.03 -0.61 0.00 0.00 0.00 178.15 177.84 1ivm h GLN 94 N -0.51 0.12 -0.42 2.37 4.15 -0.33 0.19 115.11 120.70 1ivm h GLN 94 Ca 0.00 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.30 1ivm h GLN 94 Cb 0.58 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 1ivm h GLN 94 CO 0.00 0.08 -0.20 0.00 -1.93 0.00 0.00 178.83 176.79 1ivm h ALA 96 N 0.82 0.21 -0.24 0.00 0.00 0.11 1.77 119.26 121.93 1ivm h ALA 96 Ca 0.09 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1ivm h ALA 96 Cb 0.76 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ivm h ALA 96 CO 0.06 -0.49 -0.24 1.57 0.00 0.00 0.00 179.25 180.15 1ivm h LYS 97 N -0.05 0.59 0.00 0.00 2.10 -0.51 0.11 116.57 118.82 1ivm h LYS 97 Ca 0.20 -0.31 -0.01 0.00 -2.00 0.00 0.00 60.65 58.54 1ivm h LYS 97 Cb 0.36 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.70 1ivm h LYS 97 CO -0.46 0.90 -0.03 -0.09 -2.00 0.00 0.00 179.45 177.78 1ivm h ARG 98 N 0.30 0.00 0.00 0.07 9.65 0.75 0.51 114.38 125.66 1ivm h ARG 98 Ca 0.04 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.89 1ivm h ARG 98 Cb 0.79 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.37 1ivm h ARG 98 CO 0.06 0.03 -0.39 0.28 2.80 0.00 0.00 179.97 182.75 1ivm h VAL 99 N 0.00 0.33 -0.27 0.20 2.07 0.30 -3.34 116.25 115.53 1ivm h VAL 99 Ca -0.00 -1.32 0.08 0.00 0.82 0.00 0.00 66.70 66.28 1ivm h VAL 99 Cb 0.10 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1ivm h VAL 99 CO 0.00 0.11 0.23 0.58 0.02 0.00 0.00 177.57 178.51 1ivm h VAL 100 N -1.00 0.69 -0.01 2.57 2.07 -0.58 0.13 116.25 120.12 1ivm h VAL 100 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1ivm h VAL 100 Cb 0.50 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1ivm h VAL 100 CO -0.03 0.00 0.38 -0.09 0.02 0.00 0.00 177.57 177.85 1ivm h ARG 101 N 0.00 0.00 -7.73 1.57 2.43 -0.10 -3.35 114.38 107.20 1ivm h ARG 101 Ca 0.13 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.86 1ivm h ARG 101 Cb 0.58 0.00 0.16 0.00 -0.42 0.00 0.00 29.97 30.29 1ivm h ARG 101 CO -0.00 0.00 0.38 -0.51 -1.51 0.00 0.00 179.97 178.33 1ivm s ASP 102 N -4.35 3.01 0.00 -3.80 1.11 0.46 -4.92 116.67 108.19 1ivm s ASP 102 Ca -0.03 0.41 0.22 0.00 0.18 0.00 0.00 52.55 53.33 1ivm s ASP 102 Cb 0.08 -0.56 1.29 0.00 1.07 0.00 0.00 42.92 44.80 1ivm s ASP 102 CO 0.26 -2.81 1.69 -0.81 1.18 0.00 0.00 175.17 174.69 1ivm n PRO 103 N -3.85 0.75 0.31 8.23 -0.04 -1.26 -3.60 135.00 135.54 1ivm n PRO 103 Ca 0.14 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.47 1ivm n PRO 103 Cb 0.60 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.79 -0.64 0.54 1.08 -1.85 -3.50 115.11 109.95 1ivm h GLN 104 Ca 0.00 0.05 0.05 0.00 -1.45 0.00 0.00 58.65 57.30 1ivm h GLN 104 Cb 0.00 0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.58 1ivm h GLN 104 CO 0.00 -0.53 -0.22 0.41 -0.95 0.00 0.00 178.83 177.55 1ivm n GLY 105 N -0.43 -2.82 0.68 3.46 0.00 -1.24 -4.15 105.19 100.69 1ivm n GLY 105 Ca -0.10 -1.34 0.51 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.26 -0.02 -0.47 -0.61 2.08 -1.26 0.81 119.36 117.63 1ivm n ILE 106 Ca -0.01 1.49 0.40 0.00 0.56 0.00 0.00 62.75 65.19 1ivm n ILE 106 Cb 0.11 -2.47 0.68 0.00 -0.75 0.00 0.00 39.64 37.21 1ivm n ILE 106 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1ivm h ARG 107 N 0.00 0.00 -1.28 0.38 2.43 -1.99 1.40 114.38 115.33 1ivm h ARG 107 Ca 0.92 -0.00 0.41 0.00 -0.81 0.00 0.00 59.98 60.50 1ivm h ARG 107 Cb 3.63 -0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 33.06 1ivm h ARG 107 CO -0.05 0.00 0.82 0.00 -1.51 0.00 0.00 179.97 179.24 1ivm h ALA 108 N 1.62 2.66 -1.25 2.80 0.00 0.24 0.29 119.26 125.62 1ivm h ALA 108 Ca 0.88 0.10 -0.80 0.00 0.00 0.00 0.00 54.91 55.10 1ivm h ALA 108 Cb 2.83 0.18 -0.24 0.00 0.00 0.00 0.00 17.79 20.55 1ivm h ALA 108 CO -0.48 -1.25 1.27 0.91 0.00 0.00 0.00 179.25 179.70 1ivm n TRP 109 N -4.67 2.64 -0.68 0.00 8.01 0.48 -4.77 117.44 118.45 1ivm n TRP 109 Ca 0.35 -2.61 0.52 0.00 -1.31 0.00 0.00 57.50 54.45 1ivm n TRP 109 Cb 1.34 -1.35 0.81 0.00 -2.01 0.00 0.00 31.31 30.10 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 2.57 0.01 -0.75 -0.99 2.07 -0.60 0.83 116.25 119.39 1ivm h VAL 110 Ca 0.50 -0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.17 1ivm h VAL 110 Cb 0.38 0.01 -0.14 0.00 -1.52 0.00 0.00 31.29 30.02 1ivm h VAL 110 CO 1.28 0.00 -0.20 0.00 0.02 0.00 0.00 177.57 178.67 1ivm h ALA 111 N 1.08 0.47 -0.99 1.67 0.00 -1.86 1.51 119.26 121.15 1ivm h ALA 111 Ca 0.93 0.29 0.07 0.00 0.00 0.00 0.00 54.91 56.20 1ivm h ALA 111 Cb 3.66 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 21.97 1ivm h ALA 111 CO -0.06 -0.42 0.64 2.35 0.00 0.00 0.00 179.25 181.75 1ivm h TRP 112 N -0.01 1.17 0.00 0.00 7.01 0.34 0.66 115.95 125.12 1ivm h TRP 112 Ca 0.36 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.39 1ivm h TRP 112 Cb 0.55 -0.38 0.00 0.00 -2.10 0.00 0.00 29.16 27.23 1ivm h TRP 112 CO -0.61 0.59 0.00 -0.09 -2.79 0.00 0.00 178.44 175.55 1ivm h ARG 113 N 1.13 0.00 -0.06 2.65 1.12 0.20 1.22 114.38 120.64 1ivm h ARG 113 Ca 0.43 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 59.22 1ivm h ARG 113 Cb 0.21 0.00 -0.14 0.00 -0.01 0.00 0.00 29.97 30.04 1ivm h ARG 113 CO -0.18 0.00 -0.67 0.00 -3.11 0.00 0.00 179.97 176.01 1ivm n ALA 114 N -1.81 3.41 0.00 2.80 0.00 0.21 -4.34 120.51 120.78 1ivm n ALA 114 Ca -0.01 -3.09 0.00 0.00 0.00 0.00 0.00 53.44 50.34 1ivm n ALA 114 Cb 0.10 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.68 -1.06 -0.09 0.00 -0.00 0.01 -4.96 115.22 108.44 1ivm n HIS 115 Ca 0.17 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 58.20 1ivm n HIS 115 Cb 0.83 0.39 -0.08 0.00 -0.12 0.00 0.00 29.99 31.00 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 -4.51 2.20 0.11 0.00 1.13 -0.63 -3.44 117.38 112.25 1ivm n GLN 117 Ca -0.23 -1.32 0.00 0.00 -1.94 0.00 0.00 57.00 53.51 1ivm n GLN 117 Cb 0.53 -2.28 0.00 0.00 0.11 0.00 0.00 30.24 28.59 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 3.39 -0.43 -1.77 1.08 2.85 -1.26 -4.72 115.26 114.39 1ivm n ASN 118 Ca 0.47 0.40 0.00 0.00 -0.11 0.00 0.00 54.58 55.34 1ivm n ASN 118 Cb 0.39 0.58 0.00 0.00 1.24 0.00 0.00 39.78 41.98 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 1.54 -2.89 1.20 0.63 -1.22 -5.08 116.66 107.63 1ivm n ARG 119 Ca 0.00 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 1ivm n ARG 119 Cb 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 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 -1.00 6.18 -0.24 6.15 -1.08 -1.26 -4.83 116.67 120.59 1ivm s ASP 120 Ca 0.00 -1.03 0.14 0.00 -0.52 0.00 0.00 52.55 51.14 1ivm s ASP 120 Cb 0.00 -2.41 0.80 0.00 -1.46 0.00 0.00 42.92 39.85 1ivm s ASP 120 CO 0.00 -1.40 1.73 -0.11 0.52 0.00 0.00 175.17 175.91 1ivm n LEU 121 N 7.56 5.62 0.20 -1.34 7.94 -1.26 -4.29 117.00 131.42 1ivm n LEU 121 Ca -0.04 -2.96 0.07 0.00 -1.11 0.00 0.00 56.01 51.97 1ivm n LEU 121 Cb 0.45 -0.68 0.36 0.00 0.53 0.00 0.00 43.42 44.08 1ivm n LEU 121 CO 0.63 0.64 0.71 -1.28 -1.11 0.00 0.00 177.39 176.98 1ivm h SER 122 N 3.79 0.00 0.82 1.96 0.87 -1.95 -2.35 113.55 116.69 1ivm h SER 122 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1ivm h SER 122 Cb 1.96 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.92 1ivm h SER 122 CO 0.48 0.33 0.00 1.67 -0.53 0.00 0.00 176.83 178.78 1ivm n GLN 123 N -3.47 0.11 0.12 2.24 -0.06 -1.26 -0.01 117.38 115.05 1ivm n GLN 123 Ca 0.00 0.27 -0.02 0.00 -2.00 0.00 0.00 57.00 55.25 1ivm n GLN 123 Cb 0.50 -1.69 0.06 0.00 -4.06 0.00 0.00 30.24 25.05 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 -1.74 -3.32 116.97 118.80 1ivm h TYR 124 Ca 0.00 0.00 -0.26 0.00 3.14 0.00 0.00 58.73 61.61 1ivm h TYR 124 Cb 0.41 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.63 1ivm h TYR 124 CO 0.00 0.71 -1.98 0.44 -1.64 0.00 0.00 178.16 175.69 1ivm n ILE 125 N -3.50 0.98 -2.63 1.81 -5.35 -1.02 -4.59 119.36 105.06 1ivm n ILE 125 Ca -0.00 -0.57 -0.42 0.00 -0.27 0.00 0.00 62.75 61.49 1ivm n ILE 125 Cb 0.74 -0.70 -0.03 0.00 -1.74 0.00 0.00 39.64 37.91 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 -2.35 4.56 -0.82 6.28 6.06 0.99 -2.87 118.95 130.81 1ivm s ARG 126 Ca -0.10 1.54 0.00 0.00 -2.50 0.00 0.00 55.73 54.67 1ivm s ARG 126 Cb 0.05 -3.40 0.00 0.00 0.06 0.00 0.00 34.95 31.66 1ivm s ARG 126 CO 0.56 -0.03 0.00 -1.71 -2.50 0.00 0.00 175.30 171.62 1ivm n ASN 127 N 3.53 -3.71 0.01 -2.12 2.85 -1.26 -4.67 115.26 109.87 1ivm n ASN 127 Ca 0.06 0.15 -0.16 0.00 -0.11 0.00 0.00 54.58 54.51 1ivm n ASN 127 Cb 0.49 -2.20 -0.14 0.00 1.24 0.00 0.00 39.78 39.17 1ivm n ASN 127 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ivm n GLY 129 N 1.78 0.23 0.45 0.00 0.00 -1.26 -4.77 105.19 101.62 1ivm n GLY 129 Ca -0.24 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 45.91 1ivm n GLY 129 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70