#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 -0.15 -0.24 0.58 1.01 -1.26 -0.26 120.40 120.08 1ivm s VAL 2 Ca 0.00 0.18 -0.26 0.00 0.00 0.00 0.00 61.98 61.90 1ivm s VAL 2 Cb 0.00 -0.41 0.08 0.00 0.00 0.00 0.00 36.38 36.05 1ivm s VAL 2 CO 0.00 0.08 0.79 -0.72 0.00 0.00 0.00 175.10 175.25 1ivm s TYR 3 N 1.60 -0.69 0.48 5.22 -0.85 0.38 -4.94 117.35 118.55 1ivm s TYR 3 Ca -0.06 1.62 0.07 0.00 -0.52 0.00 0.00 57.07 58.18 1ivm s TYR 3 Cb -0.11 0.31 0.00 0.00 0.38 0.00 0.00 41.96 42.55 1ivm s TYR 3 CO -0.09 -0.37 0.36 -1.83 -1.52 0.00 0.00 175.55 172.10 1ivm s GLU 4 N 0.11 2.34 0.03 -3.49 -1.05 -1.26 0.19 118.70 115.57 1ivm s GLU 4 Ca -0.01 -1.82 -0.06 0.00 -0.15 0.00 0.00 54.97 52.94 1ivm s GLU 4 Cb -0.04 -2.18 -0.01 0.00 -0.44 0.00 0.00 34.13 31.46 1ivm s GLU 4 CO 0.01 -0.39 1.10 0.07 0.95 0.00 0.00 175.26 177.00 1ivm h ARG 5 N 0.96 -0.01 0.00 -4.83 -0.00 -1.98 0.61 114.38 109.12 1ivm h ARG 5 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.59 1ivm h ARG 5 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.25 1ivm h ARG 5 CO 0.59 -0.01 0.00 0.00 -0.00 0.00 0.00 179.97 180.56 1ivm n GLU 7 N -1.96 -0.04 -0.30 0.00 -0.58 -0.99 0.39 120.64 117.16 1ivm n GLU 7 Ca 0.00 0.61 -0.11 0.00 -0.42 0.00 0.00 57.16 57.24 1ivm n GLU 7 Cb 0.00 -0.91 -0.08 0.00 -0.57 0.00 0.00 31.44 29.88 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 -1.70 -0.65 -0.32 3.57 0.53 1.53 116.94 119.91 1ivm h PHE 8 Ca 0.01 0.11 0.13 0.00 3.53 0.00 0.00 57.97 61.75 1ivm h PHE 8 Cb 0.04 0.84 -0.12 0.00 2.79 0.00 0.00 35.95 39.49 1ivm h PHE 8 CO -0.54 -0.42 -0.23 0.00 -2.23 0.00 0.00 178.31 174.89 1ivm h ALA 9 N 0.41 0.28 0.33 2.41 0.00 0.31 2.12 119.26 125.11 1ivm h ALA 9 Ca 0.15 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1ivm h ALA 9 Cb 0.50 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ivm h ALA 9 CO -0.80 -0.51 -0.16 -0.09 0.00 0.00 0.00 179.25 177.69 1ivm h ARG 10 N -0.06 -0.43 0.04 0.00 2.43 0.26 0.18 114.38 116.81 1ivm h ARG 10 Ca 0.30 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.52 1ivm h ARG 10 Cb 0.52 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.13 1ivm h ARG 10 CO -0.70 -0.19 -0.26 1.15 -1.51 0.00 0.00 179.97 178.46 1ivm h THR 11 N -0.60 0.41 -0.33 0.20 2.02 0.35 0.95 112.91 115.91 1ivm h THR 11 Ca -0.05 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.19 1ivm h THR 11 Cb 0.44 0.41 -0.05 0.00 -1.74 0.00 0.00 68.15 67.20 1ivm h THR 11 CO 0.07 0.00 -0.01 -0.07 0.37 0.00 0.00 175.52 175.88 1ivm h LEU 12 N -0.43 -0.16 -1.84 2.58 4.07 0.34 2.02 115.31 121.88 1ivm h LEU 12 Ca 0.05 0.08 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 1ivm h LEU 12 Cb 0.49 0.15 -0.00 0.00 1.08 0.00 0.00 40.66 42.38 1ivm h LEU 12 CO -0.20 -0.05 -0.10 0.50 -1.08 0.00 0.00 178.44 177.51 1ivm h LYS 13 N 0.08 0.00 0.00 1.13 1.63 0.04 1.00 116.57 120.44 1ivm h LYS 13 Ca 0.16 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 1ivm h LYS 13 Cb 0.22 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1ivm h LYS 13 CO -0.28 0.10 -0.57 -0.09 -3.45 0.00 0.00 179.45 175.17 1ivm h ARG 14 N 0.00 0.00 0.14 1.90 2.43 0.42 -3.32 114.38 115.95 1ivm h ARG 14 Ca -0.00 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.82 1ivm h ARG 14 Cb 0.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1ivm h ARG 14 CO 0.01 0.00 -1.84 -0.97 -1.51 0.00 0.00 179.97 175.67 1ivm h ASN 15 N 0.00 0.47 0.00 -3.80 -0.73 0.51 -3.49 115.58 108.53 1ivm h ASN 15 Ca 0.00 -0.93 0.00 0.00 1.87 0.00 0.00 56.30 57.24 1ivm h ASN 15 Cb 0.97 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 39.41 1ivm h ASN 15 CO 0.00 1.81 0.00 0.61 -0.37 0.00 0.00 177.43 179.48 1ivm n GLY 16 N 1.91 0.94 0.00 1.57 0.00 0.33 -5.04 105.19 104.90 1ivm n GLY 16 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.58 -1.50 1.61 0.00 -0.72 -4.90 117.12 112.19 1ivm n MET 17 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 57.70 57.20 1ivm n MET 17 Cb 0.00 -0.94 -0.06 0.00 0.00 0.00 0.00 33.22 32.22 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 -2.29 1.02 -1.31 -5.12 0.00 -1.23 0.49 120.51 112.07 1ivm n ALA 18 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ivm n ALA 18 Cb 0.44 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.34 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 6.08 0.95 2.97 0.00 0.00 -1.24 -4.73 105.19 109.22 1ivm n GLY 19 Ca 0.37 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 1ivm n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ivm n TYR 20 N -2.82 -2.16 -0.26 1.61 9.36 0.18 -4.69 117.16 118.37 1ivm n TYR 20 Ca 0.00 0.12 0.01 0.00 3.32 0.00 0.00 57.90 61.35 1ivm n TYR 20 Cb 0.32 -1.38 0.06 0.00 -0.63 0.00 0.00 39.34 37.70 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 -4.15 0.11 0.04 2.98 4.02 -1.26 -4.11 117.16 114.79 1ivm n TYR 21 Ca 0.05 0.85 0.00 0.00 -0.01 0.00 0.00 57.90 58.79 1ivm n TYR 21 Cb 0.30 -0.82 0.00 0.00 -0.02 0.00 0.00 39.34 38.81 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 -1.37 -0.03 3.68 2.72 0.00 -1.26 -5.03 105.19 103.89 1ivm n GLY 22 Ca 0.09 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.05 0.13 -3.30 1.61 0.31 -1.26 -4.91 118.33 107.86 1ivm n VAL 23 Ca 0.00 -0.02 -0.31 0.00 -0.01 0.00 0.00 64.34 64.00 1ivm n VAL 23 Cb 0.00 -0.79 -0.05 0.00 -0.91 0.00 0.00 33.84 32.10 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 2.44 6.58 0.24 4.52 0.15 -1.26 -1.01 113.70 125.36 1ivm s SER 24 Ca 0.97 0.93 -0.06 0.00 0.70 0.00 0.00 55.95 58.49 1ivm s SER 24 Cb -1.21 -2.23 0.45 0.00 -1.71 0.00 0.00 66.02 61.32 1ivm s SER 24 CO 0.66 -0.16 1.65 0.25 1.20 0.00 0.00 173.24 176.85 1ivm h LEU 25 N 2.13 -0.21 -0.73 3.45 5.85 -1.85 0.73 115.31 124.68 1ivm h LEU 25 Ca -0.47 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1ivm h LEU 25 Cb 1.18 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 42.46 1ivm h LEU 25 CO 0.67 -0.13 0.47 0.00 -0.34 0.00 0.00 178.44 179.11 1ivm h ALA 26 N 1.67 0.92 -0.65 1.25 0.00 -1.93 0.27 119.26 120.79 1ivm h ALA 26 Ca 0.41 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1ivm h ALA 26 Cb 0.73 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1ivm h ALA 26 CO -0.60 0.36 0.27 -0.44 0.00 0.00 0.00 179.25 178.84 1ivm h ASP 27 N 0.99 0.86 0.64 0.00 3.32 -0.27 0.59 116.42 122.55 1ivm h ASP 27 Ca 0.26 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1ivm h ASP 27 Cb -0.09 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.25 1ivm h ASP 27 CO -0.05 0.76 -0.31 -0.50 -1.72 0.00 0.00 179.24 177.41 1ivm h TRP 28 N 0.93 -0.80 -0.20 4.55 4.06 0.13 0.48 115.95 125.10 1ivm h TRP 28 Ca 0.22 -0.02 0.05 0.00 2.06 0.00 0.00 58.89 61.21 1ivm h TRP 28 Cb 0.16 0.27 -0.07 0.00 -1.00 0.00 0.00 29.16 28.51 1ivm h TRP 28 CO 0.01 -0.50 -0.33 0.28 -3.56 0.00 0.00 178.44 174.34 1ivm h VAL 29 N -1.13 0.26 -0.39 1.49 2.07 -0.36 0.23 116.25 118.41 1ivm h VAL 29 Ca -0.09 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.51 1ivm h VAL 29 Cb 0.66 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 1ivm h VAL 29 CO 0.15 0.00 -0.08 0.00 0.02 0.00 0.00 177.57 177.65 1ivm h LEU 31 N 0.01 -1.39 -1.68 0.00 7.12 0.18 0.67 115.31 120.22 1ivm h LEU 31 Ca 0.19 0.19 -0.01 0.00 0.13 0.00 0.00 57.88 58.39 1ivm h LEU 31 Cb 0.29 0.58 -0.00 0.00 -0.53 0.00 0.00 40.66 40.99 1ivm h LEU 31 CO -0.39 -0.41 -0.03 0.00 -0.13 0.00 0.00 178.44 177.48 1ivm h ALA 32 N 0.19 1.02 0.24 1.25 0.00 0.47 -2.85 119.26 119.58 1ivm h ALA 32 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ivm h ALA 32 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ivm h ALA 32 CO -0.46 0.04 -0.12 0.37 0.00 0.00 0.00 179.25 179.08 1ivm h GLN 33 N 0.00 -0.31 0.00 0.00 -0.00 0.89 0.14 115.11 115.83 1ivm h GLN 33 Ca -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1ivm h GLN 33 Cb 0.45 0.07 0.00 0.00 0.00 0.00 0.00 27.48 28.00 1ivm h GLN 33 CO 0.00 -0.01 0.00 1.25 0.00 0.00 0.00 178.83 180.08 1ivm h HIS 34 N -0.63 0.00 0.00 3.99 2.76 -0.25 -3.13 115.15 117.89 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 0.45 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.41 1ivm h HIS 34 CO 0.02 0.00 -0.02 0.93 -1.30 0.00 0.00 177.93 177.56 1ivm h GLU 35 N 0.00 0.00 0.00 5.26 4.39 -1.22 -3.50 114.58 119.51 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 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1ivm h GLU 35 CO 0.00 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.72 1ivm n SER 36 N -2.93 -0.98 -0.47 1.42 3.41 0.46 -4.98 113.62 109.55 1ivm n SER 36 Ca -0.00 0.24 0.06 0.00 -0.26 0.00 0.00 58.87 58.90 1ivm n SER 36 Cb 0.01 1.22 -0.02 0.00 -0.26 0.00 0.00 64.21 65.16 1ivm n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ivm n ASN 37 N -2.60 -2.80 0.00 4.04 5.15 -0.97 -4.78 115.26 113.29 1ivm n ASN 37 Ca 0.00 0.32 0.00 0.00 -0.60 0.00 0.00 54.58 54.30 1ivm n ASN 37 Cb 0.00 -1.50 0.00 0.00 -0.53 0.00 0.00 39.78 37.75 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 -2.99 0.00 -3.88 1.20 4.01 0.52 -4.62 117.16 111.40 1ivm n TYR 38 Ca -0.01 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.57 1ivm n TYR 38 Cb 0.22 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.09 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 0.00 0.26 -0.57 7.72 2.20 -1.26 0.14 114.94 123.42 1ivm s ASN 39 Ca 0.00 -0.00 -0.06 0.00 -0.94 0.00 0.00 52.86 51.85 1ivm s ASN 39 Cb 0.00 -0.14 -0.16 0.00 -2.00 0.00 0.00 41.25 38.95 1ivm s ASN 39 CO 0.00 -0.09 2.91 0.35 -2.94 0.00 0.00 177.10 177.33 1ivm n THR 40 N 3.97 2.97 1.32 0.54 -2.24 0.64 -4.33 114.28 117.16 1ivm n THR 40 Ca -0.25 -1.63 0.15 0.00 -2.27 0.00 0.00 64.05 60.05 1ivm n THR 40 Cb 0.52 -2.13 0.72 0.00 -2.10 0.00 0.00 70.33 67.33 1ivm n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1ivm n ARG 41 N 3.10 0.34 -1.50 -0.78 0.63 -1.26 -4.41 116.66 112.77 1ivm n ARG 41 Ca 0.48 -0.01 -0.43 0.00 -0.92 0.00 0.00 57.85 56.98 1ivm n ARG 41 Cb 0.52 -1.50 -0.07 0.00 0.45 0.00 0.00 32.46 31.86 1ivm n ARG 41 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ivm n ALA 42 N -1.32 0.82 -3.69 5.13 0.00 -1.26 -4.87 120.51 115.32 1ivm n ALA 42 Ca 0.13 -0.44 -0.13 0.00 0.00 0.00 0.00 53.44 52.99 1ivm n ALA 42 Cb 0.27 -2.75 -0.13 0.00 0.00 0.00 0.00 19.45 16.84 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 9.58 -0.28 -0.28 0.00 -4.23 -1.25 0.74 115.64 119.91 1ivm s THR 43 Ca 1.11 0.22 0.01 0.00 -1.18 0.00 0.00 61.69 61.85 1ivm s THR 43 Cb -0.68 -0.45 0.15 0.00 1.34 0.00 0.00 72.50 72.86 1ivm s THR 43 CO 0.40 0.09 0.38 0.21 -0.54 0.00 0.00 174.62 175.16 1ivm s ASN 44 N 1.99 0.70 0.37 3.99 2.47 0.26 -4.95 114.94 119.76 1ivm s ASN 44 Ca -0.03 -0.41 -0.08 0.00 0.42 0.00 0.00 52.86 52.76 1ivm s ASN 44 Cb -0.11 0.95 -0.06 0.00 -1.45 0.00 0.00 41.25 40.58 1ivm s ASN 44 CO -0.09 -0.36 0.70 -0.47 -3.72 0.00 0.00 177.10 173.16 1ivm s TYR 45 N 2.50 3.48 -0.29 0.43 6.14 -1.26 0.21 117.35 128.55 1ivm s TYR 45 Ca 0.10 0.90 0.03 0.00 0.64 0.00 0.00 57.07 58.74 1ivm s TYR 45 Cb -0.13 -2.32 0.19 0.00 0.42 0.00 0.00 41.96 40.12 1ivm s TYR 45 CO -0.29 -0.02 0.59 -0.80 0.64 0.00 0.00 175.55 175.67 1ivm s ASN 46 N -3.20 -1.50 0.13 4.32 -0.87 0.57 -4.90 114.94 109.49 1ivm s ASN 46 Ca 0.49 0.47 -0.02 0.00 -1.57 0.00 0.00 52.86 52.22 1ivm s ASN 46 Cb -0.10 2.08 -0.10 0.00 -0.02 0.00 0.00 41.25 43.10 1ivm s ASN 46 CO 0.31 -0.28 1.30 -0.09 -2.57 0.00 0.00 177.10 175.77 1ivm h ARG 47 N 8.00 0.32 -0.88 -0.60 2.43 -1.94 0.35 114.38 122.07 1ivm h ARG 47 Ca -0.10 -0.38 0.36 0.00 -0.81 0.00 0.00 59.98 59.05 1ivm h ARG 47 Cb 1.18 0.11 -0.15 0.00 -0.42 0.00 0.00 29.97 30.69 1ivm h ARG 47 CO 0.20 1.08 0.48 0.41 -1.51 0.00 0.00 179.97 180.63 1ivm n GLY 48 N 1.03 -0.65 1.27 2.80 0.00 -1.26 0.20 105.19 108.57 1ivm n GLY 48 Ca -0.06 0.69 -0.02 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 -4.91 2.29 -3.57 1.61 2.03 -1.23 -4.97 116.55 107.80 1ivm n ASP 49 Ca 0.33 -3.37 -0.24 0.00 0.52 0.00 0.00 54.79 52.03 1ivm n ASP 49 Cb 1.12 -0.44 -0.06 0.00 -0.72 0.00 0.00 41.12 41.02 1ivm n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ivm n GLN 50 N -0.69 -0.89 -4.18 -0.67 10.64 0.52 -4.86 117.38 117.26 1ivm n GLN 50 Ca 0.21 0.07 -0.17 0.00 -1.83 0.00 0.00 57.00 55.29 1ivm n GLN 50 Cb 0.85 -2.69 -0.12 0.00 -0.86 0.00 0.00 30.24 27.42 1ivm n GLN 50 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 1ivm s SER 51 N -3.16 1.27 -0.01 2.61 0.01 0.12 -4.59 113.70 109.95 1ivm s SER 51 Ca 0.28 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.04 1ivm s SER 51 Cb -0.16 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.05 1ivm s SER 51 CO 0.66 -0.08 0.02 -0.89 0.41 0.00 0.00 173.24 173.36 1ivm s THR 52 N -1.08 -0.03 -0.61 1.44 2.01 -1.26 -0.32 115.64 115.79 1ivm s THR 52 Ca -0.04 0.14 -0.11 0.00 0.31 0.00 0.00 61.69 62.00 1ivm s THR 52 Cb -0.09 -0.06 0.16 0.00 0.01 0.00 0.00 72.50 72.52 1ivm s THR 52 CO 0.01 0.06 0.51 -1.81 -0.69 0.00 0.00 174.62 172.70 1ivm s ASP 53 N 0.71 6.02 0.21 3.53 1.11 0.57 0.26 116.67 129.08 1ivm s ASP 53 Ca -0.06 -2.24 0.08 0.00 0.18 0.00 0.00 52.55 50.51 1ivm s ASP 53 Cb -0.09 -2.08 -0.05 0.00 1.07 0.00 0.00 42.92 41.77 1ivm s ASP 53 CO -0.02 -0.65 -0.15 -0.31 1.18 0.00 0.00 175.17 175.22 1ivm s TYR 54 N 0.87 1.75 0.00 4.23 1.51 0.21 0.93 117.35 126.86 1ivm s TYR 54 Ca 0.10 -0.55 0.00 0.00 -1.01 0.00 0.00 57.07 55.61 1ivm s TYR 54 Cb -0.22 -0.81 0.00 0.00 -0.11 0.00 0.00 41.96 40.82 1ivm s TYR 54 CO -0.03 0.38 0.00 0.41 -1.11 0.00 0.00 175.55 175.21 1ivm n GLY 55 N -0.36 2.52 0.41 0.71 0.00 0.23 0.66 105.19 109.35 1ivm n GLY 55 Ca -0.08 -1.65 0.20 0.00 0.00 0.00 0.00 46.02 44.49 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 0.63 -0.29 -0.61 2.10 -1.78 1.39 117.51 118.96 1ivm h ILE 56 Ca 0.00 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.80 1ivm h ILE 56 Cb 0.00 0.20 0.00 0.00 -1.09 0.00 0.00 36.82 35.93 1ivm h ILE 56 CO 0.00 0.07 0.00 0.49 -1.08 0.00 0.00 178.15 177.63 1ivm n PHE 57 N -4.53 1.04 -3.73 2.19 3.72 -1.26 -4.23 117.46 110.65 1ivm n PHE 57 Ca 0.21 -0.36 -0.23 0.00 -0.05 0.00 0.00 57.45 57.02 1ivm n PHE 57 Cb 0.76 -0.31 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 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 0.31 -1.49 -3.62 -1.08 -0.06 0.48 -4.92 117.38 107.01 1ivm n GLN 58 Ca 0.14 0.80 -0.37 0.00 -2.00 0.00 0.00 57.00 55.57 1ivm n GLN 58 Cb 0.72 -2.62 -0.06 0.00 -4.06 0.00 0.00 30.24 24.22 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 -3.01 5.17 -0.02 1.69 1.01 0.21 -4.79 121.20 121.46 1ivm s ILE 59 Ca 0.02 0.59 -0.24 0.00 0.00 0.00 0.00 60.65 61.01 1ivm s ILE 59 Cb -0.01 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1ivm s ILE 59 CO 0.89 0.53 0.74 0.54 0.00 0.00 0.00 174.94 177.64 1ivm s ASN 60 N -1.22 7.10 -0.02 3.58 2.20 -1.25 0.68 114.94 126.01 1ivm s ASN 60 Ca 0.23 1.32 0.11 0.00 -0.94 0.00 0.00 52.86 53.59 1ivm s ASN 60 Cb -0.15 -2.44 0.36 0.00 -2.00 0.00 0.00 41.25 37.01 1ivm s ASN 60 CO 0.12 -0.07 1.26 -1.20 -2.94 0.00 0.00 177.10 174.27 1ivm n SER 61 N 3.41 2.29 0.11 3.54 7.64 0.71 -2.58 113.62 128.75 1ivm n SER 61 Ca -0.01 -2.08 0.12 0.00 1.01 0.00 0.00 58.87 57.91 1ivm n SER 61 Cb 0.51 -0.31 0.01 0.00 -1.01 0.00 0.00 64.21 63.41 1ivm n SER 61 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1ivm h ARG 62 N 2.23 0.00 0.00 1.43 0.11 -1.81 -3.43 114.38 112.91 1ivm h ARG 62 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ivm h ARG 62 Cb 0.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.72 1ivm h ARG 62 CO 0.04 0.00 -0.35 0.66 0.10 0.00 0.00 179.97 180.42 1ivm n TYR 63 N -2.71 -0.41 -3.65 4.08 4.01 -1.24 -3.44 117.16 113.80 1ivm n TYR 63 Ca 0.00 0.07 -0.22 0.00 -0.16 0.00 0.00 57.90 57.60 1ivm n TYR 63 Cb 0.55 0.17 -0.01 0.00 -0.31 0.00 0.00 39.34 39.73 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 -2.00 3.44 0.58 -0.72 0.23 -1.06 -1.11 118.94 118.30 1ivm s TRP 64 Ca 0.00 0.13 0.00 0.00 -2.03 0.00 0.00 56.10 54.20 1ivm s TRP 64 Cb 0.00 -1.76 0.00 0.00 0.03 0.00 0.00 33.47 31.74 1ivm s TRP 64 CO 0.00 0.24 0.00 0.00 0.96 0.00 0.00 176.95 178.15 1ivm n ASN 66 N -4.30 0.00 0.02 0.00 4.05 -0.43 -3.96 115.26 110.64 1ivm n ASN 66 Ca -0.09 -0.42 0.00 0.00 0.45 0.00 0.00 54.58 54.52 1ivm n ASN 66 Cb 0.65 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.66 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 -1.24 -0.00 0.00 1.20 2.03 -1.26 -0.94 116.55 116.34 1ivm n ASP 67 Ca 0.00 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1ivm n ASP 67 Cb 0.00 0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 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 1.70 0.80 0.00 0.27 0.00 -1.26 -4.91 105.19 101.80 1ivm n GLY 68 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.88 3.29 -3.90 1.61 4.81 -1.26 -4.82 118.16 117.01 1ivm n LYS 69 Ca 0.00 -0.02 -0.29 0.00 -0.87 0.00 0.00 58.31 57.13 1ivm n LYS 69 Cb 0.00 -0.93 -0.13 0.00 0.02 0.00 0.00 35.03 33.99 1ivm n LYS 69 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1ivm s THR 70 N -1.91 2.54 -0.65 3.15 2.01 -1.26 -4.98 115.64 114.53 1ivm s THR 70 Ca 0.01 -3.54 -0.06 0.00 0.31 0.00 0.00 61.69 58.40 1ivm s THR 70 Cb 0.05 -2.73 -0.13 0.00 0.01 0.00 0.00 72.50 69.70 1ivm s THR 70 CO 0.28 -0.88 2.66 -0.81 -0.69 0.00 0.00 174.62 175.18 1ivm n PRO 71 N 2.79 2.19 0.00 4.92 -0.04 -1.26 -3.37 135.00 140.23 1ivm n PRO 71 Ca 0.10 -1.30 0.00 0.00 -0.04 0.00 0.00 63.50 62.26 1ivm n PRO 71 Cb 0.33 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 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 3.32 0.00 -0.88 0.54 1.74 -1.26 -5.10 116.66 115.02 1ivm n ARG 72 Ca 0.47 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 57.19 1ivm n ARG 72 Cb 0.42 -0.19 0.08 0.00 -1.02 0.00 0.00 32.46 31.75 1ivm n ARG 72 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ivm n ALA 73 N -2.70 -4.97 -2.34 7.54 0.00 -1.22 -4.90 120.51 111.92 1ivm n ALA 73 Ca 0.00 -1.17 -0.26 0.00 0.00 0.00 0.00 53.44 52.01 1ivm n ALA 73 Cb 0.18 -1.17 0.01 0.00 0.00 0.00 0.00 19.45 18.47 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 -3.62 2.42 -1.50 0.00 3.14 -1.22 -5.02 118.33 112.51 1ivm n VAL 74 Ca -0.00 -4.72 -0.33 0.00 -2.96 0.00 0.00 64.34 56.32 1ivm n VAL 74 Cb 0.66 -1.23 -0.17 0.00 -1.06 0.00 0.00 33.84 32.04 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 -0.55 -0.26 -0.04 6.55 6.94 -0.45 -4.48 115.26 122.98 1ivm n ASN 75 Ca 0.41 -0.16 0.13 0.00 -0.02 0.00 0.00 54.58 54.94 1ivm n ASN 75 Cb 0.75 -0.82 0.50 0.00 -2.36 0.00 0.00 39.78 37.85 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 9.05 2.86 -0.02 -2.53 0.00 -0.27 -3.23 120.51 126.38 1ivm n ALA 76 Ca 0.65 -0.24 -0.09 0.00 0.00 0.00 0.00 53.44 53.76 1ivm n ALA 76 Cb 0.10 -1.31 -0.14 0.00 0.00 0.00 0.00 19.45 18.10 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 1.58 -0.23 3.24 0.00 0.00 -1.20 -4.91 105.19 103.66 1ivm n GLY 78 Ca -0.17 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.28 -0.02 -0.02 -0.61 -0.00 -1.26 -5.03 121.20 110.99 1ivm s ILE 79 Ca 0.04 0.06 -0.30 0.00 -0.00 0.00 0.00 60.65 60.46 1ivm s ILE 79 Cb -0.01 -0.54 -0.07 0.00 -0.00 0.00 0.00 42.46 41.84 1ivm s ILE 79 CO 0.56 0.02 1.82 0.20 -0.00 0.00 0.00 174.94 177.55 1ivm s ASN 80 N 0.87 6.52 0.59 4.36 -0.87 -1.26 -1.32 114.94 123.83 1ivm s ASN 80 Ca -0.05 2.43 0.32 0.00 -1.57 0.00 0.00 52.86 53.99 1ivm s ASN 80 Cb -0.06 -2.53 1.33 0.00 -0.02 0.00 0.00 41.25 39.96 1ivm s ASN 80 CO -0.07 -1.02 1.64 0.00 -2.57 0.00 0.00 177.10 175.08 1ivm h SER 82 N 0.00 0.56 0.18 0.00 0.02 -1.87 0.77 113.55 113.21 1ivm h SER 82 Ca 0.45 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1ivm h SER 82 Cb 2.25 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.70 1ivm h SER 82 CO -0.00 0.30 0.00 0.00 -1.14 0.00 0.00 176.83 175.99 1ivm h ALA 83 N 1.62 1.00 -0.40 3.77 0.00 0.17 0.38 119.26 125.80 1ivm h ALA 83 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1ivm h ALA 83 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ivm h ALA 83 CO -0.16 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.37 1ivm n LEU 84 N -2.90 4.47 0.00 0.00 4.32 0.27 -3.60 117.00 119.56 1ivm n LEU 84 Ca -0.02 -2.85 0.00 0.00 -0.02 0.00 0.00 56.01 53.12 1ivm n LEU 84 Cb 0.10 -0.57 0.00 0.00 -1.62 0.00 0.00 43.42 41.34 1ivm n LEU 84 CO 0.19 0.68 0.00 -0.11 -1.22 0.00 0.00 177.39 176.93 1ivm n LEU 85 N 0.09 0.70 -1.67 2.23 -0.00 0.13 -4.33 117.00 114.15 1ivm n LEU 85 Ca 0.23 0.12 0.01 0.00 -0.00 0.00 0.00 56.01 56.37 1ivm n LEU 85 Cb 0.95 -0.25 0.01 0.00 -0.00 0.00 0.00 43.42 44.13 1ivm n LEU 85 CO 0.21 -0.25 0.12 0.00 -0.00 0.00 0.00 177.39 177.47 1ivm n GLN 86 N -1.65 0.32 -0.02 1.96 10.64 -1.25 -4.73 117.38 122.66 1ivm n GLN 86 Ca 0.00 -2.05 -0.01 0.00 -1.83 0.00 0.00 57.00 53.11 1ivm n GLN 86 Cb 0.00 -0.16 -0.00 0.00 -0.86 0.00 0.00 30.24 29.22 1ivm n GLN 86 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1ivm n ASP 87 N 0.17 0.41 -3.27 2.61 2.03 -1.26 -4.80 116.55 112.44 1ivm n ASP 87 Ca -0.00 0.34 -0.03 0.00 0.52 0.00 0.00 54.79 55.62 1ivm n ASP 87 Cb 1.01 -0.59 0.02 0.00 -0.72 0.00 0.00 41.12 40.85 1ivm n ASP 87 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ivm n ASP 88 N -2.79 -1.76 0.00 1.67 8.00 -1.24 -4.44 116.55 115.99 1ivm n ASP 88 Ca -0.02 -1.94 0.11 0.00 0.71 0.00 0.00 54.79 53.65 1ivm n ASP 88 Cb 0.06 2.87 -0.13 0.00 -0.02 0.00 0.00 41.12 43.90 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 -0.72 0.06 -0.29 0.53 -5.35 -1.26 -3.14 119.36 109.19 1ivm n ILE 89 Ca -0.02 -0.40 0.12 0.00 -0.27 0.00 0.00 62.75 62.18 1ivm n ILE 89 Cb 0.58 0.16 0.27 0.00 -1.74 0.00 0.00 39.64 38.91 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 0.00 0.30 -0.37 7.28 2.02 -1.96 1.15 112.91 121.34 1ivm h THR 90 Ca 0.00 -0.06 -0.11 0.00 0.77 0.00 0.00 66.41 67.01 1ivm h THR 90 Cb 0.89 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1ivm h THR 90 CO 0.00 0.03 -0.20 0.00 0.37 0.00 0.00 175.52 175.72 1ivm h ALA 91 N 1.78 0.95 -0.62 6.16 0.00 -1.86 0.11 119.26 125.78 1ivm h ALA 91 Ca 0.53 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1ivm h ALA 91 Cb 1.05 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1ivm h ALA 91 CO -0.67 0.61 0.21 0.00 0.00 0.00 0.00 179.25 179.40 1ivm h ALA 92 N 1.15 1.21 0.16 0.00 0.00 0.87 0.50 119.26 123.14 1ivm h ALA 92 Ca 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ivm h ALA 92 Cb 0.68 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ivm h ALA 92 CO 0.05 0.56 -0.08 0.82 0.00 0.00 0.00 179.25 180.61 1ivm h ILE 93 N 0.90 0.91 -0.48 0.00 2.04 0.30 0.71 117.51 121.90 1ivm h ILE 93 Ca 0.21 -1.10 0.07 0.00 1.00 0.00 0.00 64.86 65.04 1ivm h ILE 93 Cb 0.23 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 1ivm h ILE 93 CO -0.01 0.22 0.14 -0.61 0.00 0.00 0.00 178.15 177.89 1ivm h GLN 94 N -0.81 0.29 -0.35 2.37 4.15 -0.65 0.23 115.11 120.33 1ivm h GLN 94 Ca -0.02 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.24 1ivm h GLN 94 Cb 0.53 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 1ivm h GLN 94 CO 0.04 0.19 -0.31 0.00 -1.93 0.00 0.00 178.83 176.82 1ivm h ALA 96 N 0.76 0.55 -0.17 0.00 0.00 0.16 1.86 119.26 122.42 1ivm h ALA 96 Ca 0.06 0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 1ivm h ALA 96 Cb 0.89 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ivm h ALA 96 CO 0.08 -0.36 -0.39 1.57 0.00 0.00 0.00 179.25 180.15 1ivm h LYS 97 N 0.16 0.56 0.00 0.00 2.10 -0.46 0.23 116.57 119.15 1ivm h LYS 97 Ca 0.27 -0.38 -0.01 0.00 -2.00 0.00 0.00 60.65 58.54 1ivm h LYS 97 Cb 0.41 0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1ivm h LYS 97 CO -0.42 0.99 -0.03 -0.09 -2.00 0.00 0.00 179.45 177.90 1ivm h ARG 98 N 0.21 0.00 0.00 0.07 2.43 0.70 0.39 114.38 118.19 1ivm h ARG 98 Ca -0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1ivm h ARG 98 Cb 1.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 1ivm h ARG 98 CO 0.09 0.03 -0.56 0.28 -1.51 0.00 0.00 179.97 178.29 1ivm h VAL 99 N 0.00 0.20 -0.60 0.20 2.07 0.31 -3.36 116.25 115.06 1ivm h VAL 99 Ca -0.00 -1.23 0.15 0.00 0.82 0.00 0.00 66.70 66.44 1ivm h VAL 99 Cb 0.18 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1ivm h VAL 99 CO 0.00 0.07 0.42 1.62 0.02 0.00 0.00 177.57 179.70 1ivm h VAL 100 N -1.00 0.77 -0.89 2.57 3.04 -0.43 0.16 116.25 120.48 1ivm h VAL 100 Ca -0.06 -0.06 0.26 0.00 -1.01 0.00 0.00 66.70 65.83 1ivm h VAL 100 Cb 0.59 0.59 -0.04 0.00 -2.01 0.00 0.00 31.29 30.43 1ivm h VAL 100 CO -0.04 0.03 0.78 0.03 -1.01 0.00 0.00 177.57 177.37 1ivm h ARG 101 N 0.17 0.00 -7.46 4.17 3.08 -0.36 -3.33 114.38 110.64 1ivm h ARG 101 Ca 0.29 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.91 1ivm h ARG 101 Cb 0.91 0.00 0.18 0.00 0.08 0.00 0.00 29.97 31.14 1ivm h ARG 101 CO -0.04 0.00 0.19 -0.51 -1.07 0.00 0.00 179.97 178.54 1ivm s ASP 102 N -4.87 1.56 0.00 7.04 1.11 0.56 -4.89 116.67 117.17 1ivm s ASP 102 Ca -0.04 0.65 0.19 0.00 0.18 0.00 0.00 52.55 53.53 1ivm s ASP 102 Cb 0.19 -0.92 1.14 0.00 1.07 0.00 0.00 42.92 44.40 1ivm s ASP 102 CO 0.65 -3.73 1.59 -0.81 1.18 0.00 0.00 175.17 174.05 1ivm n PRO 103 N -4.50 0.75 0.19 8.23 -0.04 -1.26 -3.65 135.00 134.72 1ivm n PRO 103 Ca 0.12 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.50 1ivm n PRO 103 Cb 0.59 -1.40 -0.04 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.49 -0.67 0.54 1.08 -1.85 -3.50 115.11 110.22 1ivm h GLN 104 Ca 0.00 0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.30 1ivm h GLN 104 Cb 0.00 0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 1ivm h GLN 104 CO 0.00 -0.33 -0.24 0.41 -0.95 0.00 0.00 178.83 177.72 1ivm n GLY 105 N -0.07 -2.72 0.67 3.46 0.00 -1.24 -4.10 105.19 101.19 1ivm n GLY 105 Ca -0.06 -1.38 0.48 0.00 0.00 0.00 0.00 46.02 45.06 1ivm n GLY 105 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ivm h ILE 106 N -0.27 0.05 -1.37 -0.61 1.08 -1.95 0.75 117.51 115.18 1ivm h ILE 106 Ca -0.04 0.00 0.43 0.00 -0.39 0.00 0.00 64.86 64.87 1ivm h ILE 106 Cb 0.26 0.05 -0.12 0.00 -3.07 0.00 0.00 36.82 33.95 1ivm h ILE 106 CO 0.01 0.00 0.91 -0.09 -0.69 0.00 0.00 178.15 178.29 1ivm h ARG 107 N 0.00 0.09 -1.29 2.37 1.12 -1.99 1.08 114.38 115.77 1ivm h ARG 107 Ca 0.84 -0.01 0.39 0.00 -1.11 0.00 0.00 59.98 60.10 1ivm h ARG 107 Cb 3.50 -0.02 -0.11 0.00 -0.01 0.00 0.00 29.97 33.34 1ivm h ARG 107 CO -0.01 0.06 0.85 0.00 -3.11 0.00 0.00 179.97 177.76 1ivm h ALA 108 N 1.52 2.75 -1.46 2.80 0.00 0.38 0.15 119.26 125.40 1ivm h ALA 108 Ca 0.80 0.07 -0.80 0.00 0.00 0.00 0.00 54.91 54.98 1ivm h ALA 108 Cb 2.62 0.14 -0.26 0.00 0.00 0.00 0.00 17.79 20.30 1ivm h ALA 108 CO -0.34 -1.28 1.07 0.91 0.00 0.00 0.00 179.25 179.61 1ivm n TRP 109 N -4.56 2.54 -0.57 0.00 8.01 0.37 -4.78 117.44 118.46 1ivm n TRP 109 Ca 0.34 -2.59 0.47 0.00 -1.31 0.00 0.00 57.50 54.41 1ivm n TRP 109 Cb 1.32 -1.29 0.76 0.00 -2.01 0.00 0.00 31.31 30.09 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 2.78 0.07 -0.72 -0.99 2.07 -0.88 0.79 116.25 119.37 1ivm h VAL 110 Ca 0.41 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.08 1ivm h VAL 110 Cb 0.45 0.08 -0.13 0.00 -1.52 0.00 0.00 31.29 30.17 1ivm h VAL 110 CO 1.28 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 178.80 1ivm h ALA 111 N 1.01 0.63 -0.93 1.67 0.00 -1.86 1.49 119.26 121.28 1ivm h ALA 111 Ca 0.81 0.25 0.14 0.00 0.00 0.00 0.00 54.91 56.11 1ivm h ALA 111 Cb 3.38 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 21.56 1ivm h ALA 111 CO -0.01 -0.42 0.59 2.35 0.00 0.00 0.00 179.25 181.76 1ivm h TRP 112 N 0.06 0.91 0.00 0.00 7.01 0.26 1.15 115.95 125.33 1ivm h TRP 112 Ca 0.37 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.40 1ivm h TRP 112 Cb 0.62 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 1ivm h TRP 112 CO -0.48 0.33 0.00 -0.09 -2.79 0.00 0.00 178.44 175.41 1ivm h ARG 113 N 0.76 0.00 -0.18 2.65 2.43 0.20 0.59 114.38 120.83 1ivm h ARG 113 Ca 0.47 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.47 1ivm h ARG 113 Cb 0.69 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 30.00 1ivm h ARG 113 CO -0.23 0.00 -0.78 0.00 -1.51 0.00 0.00 179.97 177.45 1ivm n ALA 114 N -1.84 3.40 0.00 2.80 0.00 0.38 -4.39 120.51 120.87 1ivm n ALA 114 Ca -0.01 -3.05 0.00 0.00 0.00 0.00 0.00 53.44 50.37 1ivm n ALA 114 Cb 0.07 -0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.53 -0.53 -0.09 0.00 -0.00 -0.13 -4.95 115.22 109.00 1ivm n HIS 115 Ca 0.18 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.23 1ivm n HIS 115 Cb 0.88 0.32 -0.07 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 -4.52 1.86 0.15 0.00 1.13 -1.08 -3.10 117.38 111.81 1ivm n GLN 117 Ca -0.20 -1.22 0.00 0.00 -1.94 0.00 0.00 57.00 53.64 1ivm n GLN 117 Cb 0.48 -2.26 0.00 0.00 0.11 0.00 0.00 30.24 28.57 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 3.73 -1.03 -1.59 1.08 2.85 -1.26 -4.77 115.26 114.26 1ivm n ASN 118 Ca 0.40 0.52 -0.01 0.00 -0.11 0.00 0.00 54.58 55.38 1ivm n ASN 118 Cb 0.26 1.13 -0.00 0.00 1.24 0.00 0.00 39.78 42.41 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 -3.34 1.03 -3.10 1.20 0.63 -1.18 -5.10 116.66 106.80 1ivm n ARG 119 Ca 0.00 -0.11 -0.44 0.00 -0.92 0.00 0.00 57.85 56.38 1ivm n ARG 119 Cb 0.00 0.06 -0.05 0.00 0.45 0.00 0.00 32.46 32.92 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 -1.08 6.19 -0.08 6.15 2.15 -1.26 -4.85 116.67 123.88 1ivm s ASP 120 Ca 0.01 -1.36 0.12 0.00 0.43 0.00 0.00 52.55 51.74 1ivm s ASP 120 Cb 0.00 -2.31 0.49 0.00 -0.30 0.00 0.00 42.92 40.80 1ivm s ASP 120 CO 0.00 -1.12 1.34 -0.11 -0.17 0.00 0.00 175.17 175.12 1ivm n LEU 121 N 6.40 3.37 0.22 -1.34 0.00 -1.26 -4.01 117.00 120.37 1ivm n LEU 121 Ca -0.09 -1.70 0.09 0.00 0.00 0.00 0.00 56.01 54.32 1ivm n LEU 121 Cb 0.43 -0.48 0.45 0.00 0.00 0.00 0.00 43.42 43.82 1ivm n LEU 121 CO 0.58 0.57 0.79 0.28 0.00 0.00 0.00 177.39 179.62 1ivm h SER 122 N 2.73 0.00 0.85 1.96 0.02 -1.94 -2.14 113.55 115.04 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 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1ivm h SER 122 CO 0.16 0.24 0.00 1.67 -1.14 0.00 0.00 176.83 177.77 1ivm n GLN 123 N -3.43 0.12 0.08 3.45 -0.06 -1.26 -0.40 117.38 115.89 1ivm n GLN 123 Ca -0.00 0.27 -0.12 0.00 -2.00 0.00 0.00 57.00 55.15 1ivm n GLN 123 Cb 0.43 -1.70 -0.06 0.00 -4.06 0.00 0.00 30.24 24.85 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 0.40 0.02 3.69 5.03 -1.68 -3.33 116.97 121.10 1ivm h TYR 124 Ca 0.00 -0.25 -0.36 0.00 2.58 0.00 0.00 58.73 60.70 1ivm h TYR 124 Cb 0.43 -0.03 -0.06 0.00 1.55 0.00 0.00 36.73 38.62 1ivm h TYR 124 CO 0.00 1.11 -2.20 0.44 -1.32 0.00 0.00 178.16 176.19 1ivm n ILE 125 N -3.62 1.53 -2.44 1.81 -5.35 -1.08 -4.73 119.36 105.49 1ivm n ILE 125 Ca -0.05 -0.73 -0.43 0.00 -0.27 0.00 0.00 62.75 61.27 1ivm n ILE 125 Cb 0.89 -1.07 -0.02 0.00 -1.74 0.00 0.00 39.64 37.69 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 -2.53 3.62 0.00 6.28 6.06 0.46 -3.68 118.95 129.15 1ivm s ARG 126 Ca -0.18 0.78 0.00 0.00 -2.50 0.00 0.00 55.73 53.83 1ivm s ARG 126 Cb 0.07 -3.99 0.00 0.00 0.06 0.00 0.00 34.95 31.10 1ivm s ARG 126 CO 0.75 -1.52 0.00 -1.71 -2.50 0.00 0.00 175.30 170.33 1ivm n ASN 127 N 8.50 0.00 0.20 -2.12 2.85 -1.26 -4.69 115.26 118.73 1ivm n ASN 127 Ca 0.15 0.00 0.08 0.00 -0.11 0.00 0.00 54.58 54.70 1ivm n ASN 127 Cb 0.48 0.00 0.34 0.00 1.24 0.00 0.00 39.78 41.85 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 0.41 1.96 0.45 0.00 0.00 -1.26 -5.17 105.19 101.58 1ivm n GLY 129 Ca 0.01 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 1.55 0.00 0.00 0.00 173.32 174.87