#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 -0.32 -0.27 3.15 1.01 -1.24 -0.07 120.40 122.66 1ivm s VAL 2 Ca 0.00 -0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.69 1ivm s VAL 2 Cb 0.00 -0.62 0.09 0.00 0.00 0.00 0.00 36.38 35.85 1ivm s VAL 2 CO 0.00 -0.15 0.83 -0.31 0.00 0.00 0.00 175.10 175.47 1ivm s TYR 3 N 2.33 -0.67 0.51 5.22 2.02 0.61 -4.91 117.35 122.46 1ivm s TYR 3 Ca 0.06 1.63 0.07 0.00 -0.37 0.00 0.00 57.07 58.46 1ivm s TYR 3 Cb -0.15 0.31 0.03 0.00 -0.40 0.00 0.00 41.96 41.75 1ivm s TYR 3 CO -0.11 -0.33 0.47 -1.83 -1.57 0.00 0.00 175.55 172.17 1ivm s GLU 4 N 0.27 2.34 0.08 -0.62 -1.05 -1.26 0.28 118.70 118.74 1ivm s GLU 4 Ca 0.01 -1.82 -0.16 0.00 -0.15 0.00 0.00 54.97 52.85 1ivm s GLU 4 Cb -0.05 -2.27 -0.04 0.00 -0.44 0.00 0.00 34.13 31.33 1ivm s GLU 4 CO -0.01 -0.54 1.11 2.89 0.95 0.00 0.00 175.26 179.65 1ivm n ARG 5 N -1.79 -0.23 0.00 -4.83 1.85 -1.26 0.20 116.66 110.60 1ivm n ARG 5 Ca 0.03 1.09 0.00 0.00 -1.00 0.00 0.00 57.85 57.97 1ivm n ARG 5 Cb 0.63 -1.61 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 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 -0.71 -0.16 -0.30 0.00 4.71 -0.91 0.14 120.64 123.42 1ivm n GLU 7 Ca 0.00 0.90 0.07 0.00 -0.01 0.00 0.00 57.16 58.12 1ivm n GLU 7 Cb 0.00 -1.33 0.18 0.00 -1.01 0.00 0.00 31.44 29.28 1ivm n GLU 7 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1ivm h PHE 8 N 0.00 -0.16 0.52 -0.32 3.57 0.24 0.28 116.94 121.08 1ivm h PHE 8 Ca 0.06 0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1ivm h PHE 8 Cb 0.15 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 1ivm h PHE 8 CO -0.71 -0.33 -0.30 0.00 -2.23 0.00 0.00 178.31 174.75 1ivm h ALA 9 N 1.83 -0.77 -0.20 2.41 0.00 0.83 0.22 119.26 123.58 1ivm h ALA 9 Ca 0.47 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.26 1ivm h ALA 9 Cb 0.84 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 1ivm h ALA 9 CO -0.80 -0.94 -0.50 -0.09 0.00 0.00 0.00 179.25 176.92 1ivm h ARG 10 N -0.77 -0.49 -0.19 0.00 2.43 0.22 0.16 114.38 115.75 1ivm h ARG 10 Ca -0.06 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1ivm h ARG 10 Cb 0.61 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.21 1ivm h ARG 10 CO 0.08 -0.33 -0.24 1.15 -1.51 0.00 0.00 179.97 179.13 1ivm h THR 11 N -0.51 0.41 -0.53 0.20 2.02 -0.47 0.75 112.91 114.78 1ivm h THR 11 Ca 0.06 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.34 1ivm h THR 11 Cb 0.65 0.41 -0.11 0.00 -1.74 0.00 0.00 68.15 67.36 1ivm h THR 11 CO -0.47 0.00 -0.30 -0.07 0.37 0.00 0.00 175.52 175.06 1ivm h LEU 12 N -0.27 -1.02 -1.54 2.58 4.07 0.34 1.76 115.31 121.23 1ivm h LEU 12 Ca 0.12 0.21 -0.05 0.00 0.08 0.00 0.00 57.88 58.24 1ivm h LEU 12 Cb 0.46 0.52 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 1ivm h LEU 12 CO -0.35 -0.29 -0.23 0.50 -1.08 0.00 0.00 178.44 176.99 1ivm h LYS 13 N -0.16 0.00 0.00 1.13 1.63 0.25 0.79 116.57 120.21 1ivm h LYS 13 Ca 0.23 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.95 1ivm h LYS 13 Cb 0.53 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 1ivm h LYS 13 CO -0.63 0.23 -0.38 -0.09 -3.45 0.00 0.00 179.45 175.14 1ivm h ARG 14 N 0.00 0.00 0.12 1.90 9.65 0.74 -3.23 114.38 123.56 1ivm h ARG 14 Ca -0.00 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.53 1ivm h ARG 14 Cb 0.40 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.97 1ivm h ARG 14 CO 0.03 0.38 -1.87 -0.97 2.80 0.00 0.00 179.97 180.34 1ivm h ASN 15 N 0.00 0.39 0.00 -3.80 -1.24 0.35 -3.49 115.58 107.79 1ivm h ASN 15 Ca -0.00 -0.90 0.00 0.00 0.71 0.00 0.00 56.30 56.10 1ivm h ASN 15 Cb 1.03 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.95 1ivm h ASN 15 CO 0.05 1.81 0.00 0.61 -1.29 0.00 0.00 177.43 178.60 1ivm n GLY 16 N 1.91 1.35 0.02 1.57 0.00 0.25 -5.04 105.19 105.26 1ivm n GLY 16 Ca -0.31 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.69 1ivm n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ivm n MET 17 N -0.11 2.76 -1.61 1.61 2.81 -0.11 -4.83 117.12 117.64 1ivm n MET 17 Ca 0.00 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.48 1ivm n MET 17 Cb 0.00 -1.09 -0.03 0.00 -0.71 0.00 0.00 33.22 31.39 1ivm n MET 17 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ivm s ALA 18 N -2.09 2.50 0.00 3.04 0.00 -1.18 -0.54 121.76 123.50 1ivm s ALA 18 Ca -0.03 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1ivm s ALA 18 Cb 0.01 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 19.00 1ivm s ALA 18 CO 0.14 -3.14 0.00 0.41 0.00 0.00 0.00 175.76 173.17 1ivm n GLY 19 N 5.81 1.17 3.00 0.00 0.00 -1.24 -4.66 105.19 109.27 1ivm n GLY 19 Ca 0.31 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.51 -2.17 -0.31 1.61 9.36 0.30 -4.74 117.16 118.70 1ivm n TYR 20 Ca 0.00 0.09 -0.04 0.00 3.32 0.00 0.00 57.90 61.27 1ivm n TYR 20 Cb 0.25 -1.39 -0.01 0.00 -0.63 0.00 0.00 39.34 37.56 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 -0.12 0.01 2.98 4.01 -1.26 -4.07 117.16 114.47 1ivm n TYR 21 Ca 0.05 0.97 -0.01 0.00 -0.16 0.00 0.00 57.90 58.74 1ivm n TYR 21 Cb 0.35 -0.70 -0.00 0.00 -0.31 0.00 0.00 39.34 38.67 1ivm n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ivm n GLY 22 N -1.30 -0.12 3.70 2.72 0.00 -1.26 -5.00 105.19 103.94 1ivm n GLY 22 Ca 0.05 -0.05 -0.57 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.32 0.28 -3.36 1.61 0.31 -1.26 -4.91 118.33 107.68 1ivm n VAL 23 Ca -0.02 -0.05 -0.32 0.00 -0.01 0.00 0.00 64.34 63.94 1ivm n VAL 23 Cb 0.08 -1.18 -0.06 0.00 -0.91 0.00 0.00 33.84 31.78 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 3.33 6.65 0.27 4.52 0.15 -1.26 -0.54 113.70 126.82 1ivm s SER 24 Ca 0.98 0.99 -0.01 0.00 0.70 0.00 0.00 55.95 58.61 1ivm s SER 24 Cb -1.07 -2.25 0.59 0.00 -1.71 0.00 0.00 66.02 61.57 1ivm s SER 24 CO 0.65 -0.10 1.71 0.25 1.20 0.00 0.00 173.24 176.95 1ivm h LEU 25 N 2.49 0.26 -0.87 3.45 5.85 -1.84 0.67 115.31 125.32 1ivm h LEU 25 Ca -0.47 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1ivm h LEU 25 Cb 1.17 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.29 1ivm h LEU 25 CO 0.68 0.03 0.52 0.00 -0.34 0.00 0.00 178.44 179.34 1ivm h ALA 26 N 1.64 1.11 -0.62 1.25 0.00 -1.93 0.16 119.26 120.87 1ivm h ALA 26 Ca 0.48 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 1ivm h ALA 26 Cb 0.84 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1ivm h ALA 26 CO -0.48 0.57 0.09 -0.44 0.00 0.00 0.00 179.25 178.99 1ivm h ASP 27 N 1.20 0.98 0.83 0.00 3.32 -0.25 0.26 116.42 122.76 1ivm h ASP 27 Ca 0.31 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1ivm h ASP 27 Cb -0.05 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.25 1ivm h ASP 27 CO -0.06 0.99 -0.40 -0.50 -1.72 0.00 0.00 179.24 177.55 1ivm h TRP 28 N 0.96 -1.04 0.14 4.55 -0.00 0.72 0.37 115.95 121.65 1ivm h TRP 28 Ca 0.19 -0.02 0.01 0.00 -0.00 0.00 0.00 58.89 59.06 1ivm h TRP 28 Cb 0.43 0.34 -0.03 0.00 -0.00 0.00 0.00 29.16 29.90 1ivm h TRP 28 CO 0.03 -0.64 -0.41 0.28 -0.00 0.00 0.00 178.44 177.71 1ivm h VAL 29 N -1.24 0.00 -0.80 1.49 2.07 -0.63 0.63 116.25 117.77 1ivm h VAL 29 Ca -0.11 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.59 1ivm h VAL 29 Cb 0.86 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.49 1ivm h VAL 29 CO 0.19 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.73 1ivm h LEU 31 N 0.06 -0.52 -2.28 0.00 5.85 0.11 0.30 115.31 118.83 1ivm h LEU 31 Ca 0.43 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 59.22 1ivm h LEU 31 Cb 0.76 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 1ivm h LEU 31 CO -0.74 -0.25 -0.01 0.00 -0.34 0.00 0.00 178.44 177.11 1ivm h ALA 32 N 0.60 1.02 0.18 1.25 0.00 0.48 0.35 119.26 123.15 1ivm h ALA 32 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1ivm h ALA 32 Cb 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ivm h ALA 32 CO -0.16 0.01 -0.09 0.37 0.00 0.00 0.00 179.25 179.38 1ivm h GLN 33 N 0.00 -0.24 0.00 0.00 4.15 0.51 0.71 115.11 120.24 1ivm h GLN 33 Ca -0.00 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 1ivm h GLN 33 Cb 0.24 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.98 1ivm h GLN 33 CO 0.00 0.13 -0.15 1.25 -1.93 0.00 0.00 178.83 178.13 1ivm h HIS 34 N -0.94 0.00 0.17 3.99 2.76 -0.29 -3.26 115.15 117.58 1ivm h HIS 34 Ca -0.03 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1ivm h HIS 34 Cb 0.48 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.44 1ivm h HIS 34 CO 0.07 0.15 -0.08 0.93 -1.30 0.00 0.00 177.93 177.70 1ivm h GLU 35 N 0.00 -0.22 0.00 5.26 4.39 -0.34 -3.49 114.58 120.18 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 0.66 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1ivm h GLU 35 CO 0.02 -0.15 0.00 0.45 -1.16 0.00 0.00 179.01 178.17 1ivm n SER 36 N -4.19 -0.60 -0.37 1.42 2.88 0.09 -4.87 113.62 107.97 1ivm n SER 36 Ca -0.03 0.14 0.05 0.00 -1.33 0.00 0.00 58.87 57.70 1ivm n SER 36 Cb 0.09 0.93 -0.02 0.00 -0.75 0.00 0.00 64.21 64.46 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 -2.53 -2.23 0.00 -3.46 5.15 0.23 -4.75 115.26 107.67 1ivm n ASN 37 Ca 0.00 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.23 1ivm n ASN 37 Cb 0.00 -1.19 0.00 0.00 -0.53 0.00 0.00 39.78 38.06 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 -2.84 0.00 -3.12 1.20 4.01 0.82 -4.50 117.16 112.73 1ivm n TYR 38 Ca -0.01 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.34 1ivm n TYR 38 Cb 0.17 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.15 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 -4.00 7.04 -0.29 7.72 0.01 -1.26 0.22 114.94 124.39 1ivm s ASN 39 Ca 0.00 1.24 -0.05 0.00 -0.71 0.00 0.00 52.86 53.34 1ivm s ASN 39 Cb 0.00 -2.40 -0.12 0.00 0.41 0.00 0.00 41.25 39.14 1ivm s ASN 39 CO 0.00 0.05 3.22 0.35 -1.51 0.00 0.00 177.10 179.21 1ivm n THR 40 N 2.89 3.25 0.45 1.60 -2.24 0.90 -4.35 114.28 116.78 1ivm n THR 40 Ca -0.05 -2.23 0.13 0.00 -2.27 0.00 0.00 64.05 59.63 1ivm n THR 40 Cb 0.51 -1.86 0.35 0.00 -2.10 0.00 0.00 70.33 67.22 1ivm n THR 40 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1ivm h ARG 41 N 3.13 0.00 -5.50 -0.78 2.43 -1.90 -3.42 114.38 108.34 1ivm h ARG 41 Ca 0.31 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.92 1ivm h ARG 41 Cb 1.11 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.62 1ivm h ARG 41 CO 0.59 0.00 1.60 0.00 -1.51 0.00 0.00 179.97 180.65 1ivm n ALA 42 N -1.91 0.60 -3.02 2.80 0.00 -1.26 -4.87 120.51 112.85 1ivm n ALA 42 Ca 0.04 -0.34 -0.12 0.00 0.00 0.00 0.00 53.44 53.02 1ivm n ALA 42 Cb 0.44 -2.56 -0.13 0.00 0.00 0.00 0.00 19.45 17.21 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 9.09 0.00 -0.33 0.00 -4.23 -1.26 0.39 115.64 119.30 1ivm s THR 43 Ca 1.18 -0.01 0.03 0.00 -1.18 0.00 0.00 61.69 61.71 1ivm s THR 43 Cb -0.91 -0.21 0.16 0.00 1.34 0.00 0.00 72.50 72.88 1ivm s THR 43 CO 0.45 -0.00 0.41 0.21 -0.54 0.00 0.00 174.62 175.15 1ivm s ASN 44 N 0.06 0.56 0.23 3.99 2.47 0.61 -4.93 114.94 117.93 1ivm s ASN 44 Ca -0.00 -0.88 -0.10 0.00 0.42 0.00 0.00 52.86 52.30 1ivm s ASN 44 Cb -0.01 0.96 -0.07 0.00 -1.45 0.00 0.00 41.25 40.68 1ivm s ASN 44 CO 0.00 -0.30 0.55 -0.72 -3.72 0.00 0.00 177.10 172.91 1ivm s TYR 45 N 2.06 3.43 -0.29 0.43 -0.85 -1.26 0.64 117.35 121.50 1ivm s TYR 45 Ca 0.13 0.89 0.03 0.00 -0.52 0.00 0.00 57.07 57.60 1ivm s TYR 45 Cb -0.13 -2.27 0.20 0.00 0.38 0.00 0.00 41.96 40.14 1ivm s TYR 45 CO -0.19 0.27 0.60 -0.80 -1.52 0.00 0.00 175.55 173.91 1ivm s ASN 46 N -2.34 -1.53 0.12 -0.18 -0.87 -1.15 -4.95 114.94 104.03 1ivm s ASN 46 Ca 0.47 0.42 0.07 0.00 -1.57 0.00 0.00 52.86 52.26 1ivm s ASN 46 Cb -0.11 2.07 -0.20 0.00 -0.02 0.00 0.00 41.25 42.98 1ivm s ASN 46 CO 0.21 -0.28 1.25 -0.09 -2.57 0.00 0.00 177.10 175.62 1ivm h ARG 47 N 7.99 0.00 -1.11 -0.60 2.43 -1.95 0.12 114.38 121.26 1ivm h ARG 47 Ca -0.09 0.00 0.37 0.00 -0.81 0.00 0.00 59.98 59.45 1ivm h ARG 47 Cb 1.18 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.63 1ivm h ARG 47 CO 0.18 0.96 0.73 0.41 -1.51 0.00 0.00 179.97 180.75 1ivm n GLY 48 N 1.36 -0.65 1.63 2.80 0.00 -1.26 0.18 105.19 109.25 1ivm n GLY 48 Ca -0.01 0.56 0.03 0.00 0.00 0.00 0.00 46.02 46.59 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 -4.04 1.33 -3.97 1.61 -0.08 -1.25 -5.01 116.55 105.15 1ivm n ASP 49 Ca 0.31 -2.32 -0.33 0.00 -1.51 0.00 0.00 54.79 50.93 1ivm n ASP 49 Cb 1.23 -0.36 0.01 0.00 2.34 0.00 0.00 41.12 44.34 1ivm n ASP 49 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1ivm n GLN 50 N 0.05 -0.47 -3.50 -0.67 -0.06 0.47 -4.91 117.38 108.29 1ivm n GLN 50 Ca 0.09 -0.09 -0.11 0.00 -2.00 0.00 0.00 57.00 54.90 1ivm n GLN 50 Cb 1.02 -1.46 -0.10 0.00 -4.06 0.00 0.00 30.24 25.64 1ivm n GLN 50 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 1ivm s SER 51 N -3.90 0.27 0.35 1.69 0.01 0.41 -4.72 113.70 107.82 1ivm s SER 51 Ca 0.34 0.44 0.08 0.00 1.31 0.00 0.00 55.95 58.12 1ivm s SER 51 Cb -0.19 1.01 -0.04 0.00 0.21 0.00 0.00 66.02 67.01 1ivm s SER 51 CO 0.70 -0.27 0.18 -0.89 0.41 0.00 0.00 173.24 173.36 1ivm s THR 52 N 2.51 2.99 -0.22 1.44 2.01 -1.26 -2.93 115.64 120.18 1ivm s THR 52 Ca 0.06 -1.64 -0.04 0.00 0.31 0.00 0.00 61.69 60.39 1ivm s THR 52 Cb -0.14 -3.00 0.11 0.00 0.01 0.00 0.00 72.50 69.48 1ivm s THR 52 CO -0.13 -0.15 0.36 -1.81 -0.69 0.00 0.00 174.62 172.19 1ivm s ASP 53 N -3.89 0.29 0.26 3.53 1.11 0.21 0.27 116.67 118.45 1ivm s ASP 53 Ca 0.39 0.36 -0.11 0.00 0.18 0.00 0.00 52.55 53.36 1ivm s ASP 53 Cb -0.02 1.03 -0.00 0.00 1.07 0.00 0.00 42.92 44.99 1ivm s ASP 53 CO 0.23 -0.28 0.47 -0.72 1.18 0.00 0.00 175.17 176.05 1ivm s TYR 54 N 2.52 0.48 0.00 4.23 -0.85 0.20 0.23 117.35 124.15 1ivm s TYR 54 Ca 0.08 -0.83 0.00 0.00 -0.52 0.00 0.00 57.07 55.81 1ivm s TYR 54 Cb -0.14 0.14 0.00 0.00 0.38 0.00 0.00 41.96 42.33 1ivm s TYR 54 CO -0.14 -1.00 0.00 0.41 -1.52 0.00 0.00 175.55 173.30 1ivm n GLY 55 N -0.40 3.00 0.34 5.49 0.00 0.16 0.48 105.19 114.27 1ivm n GLY 55 Ca -0.01 -1.92 0.06 0.00 0.00 0.00 0.00 46.02 44.15 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 0.90 -0.44 -0.61 2.10 -1.82 0.46 117.51 118.10 1ivm h ILE 56 Ca 0.00 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 65.63 1ivm h ILE 56 Cb 0.00 -0.09 0.00 0.00 -1.09 0.00 0.00 36.82 35.64 1ivm h ILE 56 CO 0.00 0.17 0.00 0.49 -1.08 0.00 0.00 178.15 177.73 1ivm n PHE 57 N -4.67 0.73 -3.20 2.19 3.72 -1.26 -3.17 117.46 111.79 1ivm n PHE 57 Ca 0.17 -0.33 -0.24 0.00 -0.05 0.00 0.00 57.45 57.00 1ivm n PHE 57 Cb 0.34 -0.06 0.02 0.00 -0.94 0.00 0.00 39.48 38.84 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 0.76 -2.13 -3.87 -1.08 7.27 0.16 -4.97 117.38 113.53 1ivm n GLN 58 Ca 0.16 1.74 -0.34 0.00 0.07 0.00 0.00 57.00 58.63 1ivm n GLN 58 Cb 0.46 -3.80 -0.05 0.00 2.41 0.00 0.00 30.24 29.27 1ivm n GLN 58 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1ivm s ILE 59 N -2.05 5.42 0.06 1.69 1.01 0.18 -4.79 121.20 122.71 1ivm s ILE 59 Ca 0.31 -0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.71 1ivm s ILE 59 Cb -0.05 -3.53 -0.06 0.00 0.01 0.00 0.00 42.46 38.82 1ivm s ILE 59 CO 0.83 0.36 0.58 0.54 0.00 0.00 0.00 174.94 177.25 1ivm s ASN 60 N -1.79 7.05 0.00 3.58 2.20 -1.26 0.58 114.94 125.30 1ivm s ASN 60 Ca 0.26 1.24 0.21 0.00 -0.94 0.00 0.00 52.86 53.64 1ivm s ASN 60 Cb -0.13 -2.36 0.63 0.00 -2.00 0.00 0.00 41.25 37.39 1ivm s ASN 60 CO 0.17 0.24 1.49 -0.24 -2.94 0.00 0.00 177.10 175.81 1ivm n SER 61 N 1.93 2.22 0.07 3.54 2.88 0.75 -2.18 113.62 122.83 1ivm n SER 61 Ca -0.10 -1.81 0.12 0.00 -1.33 0.00 0.00 58.87 55.75 1ivm n SER 61 Cb 0.51 -0.15 0.14 0.00 -0.75 0.00 0.00 64.21 63.96 1ivm n SER 61 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1ivm h ARG 62 N 2.93 0.00 0.00 -1.46 0.11 -1.84 -3.42 114.38 110.69 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 0.00 0.00 -0.47 0.98 0.10 0.00 0.00 179.97 180.58 1ivm n TYR 63 N -2.21 -0.27 -3.71 4.08 4.19 -1.24 -3.89 117.16 114.11 1ivm n TYR 63 Ca 0.03 0.05 -0.27 0.00 3.31 0.00 0.00 57.90 61.01 1ivm n TYR 63 Cb 0.46 0.18 -0.03 0.00 0.49 0.00 0.00 39.34 40.44 1ivm n TYR 63 CO 0.00 0.00 0.00 -1.58 0.91 0.00 0.00 176.86 176.19 1ivm s TRP 64 N -2.00 3.48 0.62 2.98 0.52 -0.93 -0.36 118.94 123.26 1ivm s TRP 64 Ca 0.00 0.31 0.00 0.00 0.02 0.00 0.00 56.10 56.43 1ivm s TRP 64 Cb 0.00 -1.83 0.00 0.00 -1.15 0.00 0.00 33.47 30.49 1ivm s TRP 64 CO 0.00 0.38 0.00 0.00 0.02 0.00 0.00 176.95 177.35 1ivm n ASN 66 N -3.06 0.00 0.00 0.00 5.15 -0.70 -3.57 115.26 113.08 1ivm n ASN 66 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1ivm n ASN 66 Cb 0.55 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.80 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 0.00 0.00 0.00 1.20 -0.08 -1.26 -4.71 116.55 111.70 1ivm n ASP 67 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1ivm n ASP 67 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1ivm n ASP 67 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ivm n GLY 68 N 0.00 0.85 0.51 0.27 0.00 -1.26 -4.56 105.19 101.01 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 -2.00 0.00 -3.63 1.61 4.01 -1.26 -4.98 118.16 111.91 1ivm n LYS 69 Ca 0.00 0.00 -0.39 0.00 -0.51 0.00 0.00 58.31 57.41 1ivm n LYS 69 Cb 0.00 -0.62 -0.10 0.00 -0.51 0.00 0.00 35.03 33.80 1ivm n LYS 69 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1ivm s THR 70 N -1.75 3.98 -1.11 -0.18 2.01 -1.26 -5.00 115.64 112.32 1ivm s THR 70 Ca 0.00 -1.73 -0.18 0.00 0.31 0.00 0.00 61.69 60.09 1ivm s THR 70 Cb 0.00 -3.58 -0.06 0.00 0.01 0.00 0.00 72.50 68.87 1ivm s THR 70 CO 0.00 -0.67 2.05 -0.81 -0.69 0.00 0.00 174.62 174.50 1ivm n PRO 71 N 4.83 2.18 0.09 4.92 -0.04 -1.26 -3.78 135.00 141.93 1ivm n PRO 71 Ca -0.07 -2.28 0.00 0.00 -0.04 0.00 0.00 63.50 61.11 1ivm n PRO 71 Cb 0.41 -3.15 0.00 0.00 -0.04 0.00 0.00 33.50 30.73 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 6.75 0.00 -1.31 0.54 5.12 -1.26 -5.10 116.66 121.40 1ivm n ARG 72 Ca 0.50 0.00 -0.47 0.00 -1.93 0.00 0.00 57.85 55.96 1ivm n ARG 72 Cb 0.40 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.66 1ivm n ARG 72 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ivm n ALA 73 N -3.06 -2.91 -1.86 7.54 0.00 -1.25 -4.76 120.51 114.22 1ivm n ALA 73 Ca 0.00 0.44 -0.39 0.00 0.00 0.00 0.00 53.44 53.49 1ivm n ALA 73 Cb 0.00 -1.52 -0.01 0.00 0.00 0.00 0.00 19.45 17.92 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 0.36 5.00 -1.51 0.00 3.14 -1.25 -4.84 118.33 119.23 1ivm n VAL 74 Ca 0.17 -3.98 -0.31 0.00 -2.96 0.00 0.00 64.34 57.26 1ivm n VAL 74 Cb 0.19 -2.12 -0.16 0.00 -1.06 0.00 0.00 33.84 30.69 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 1.95 0.04 0.06 6.55 6.94 -1.22 -4.45 115.26 125.13 1ivm n ASN 75 Ca 0.64 -0.33 0.13 0.00 -0.02 0.00 0.00 54.58 55.00 1ivm n ASN 75 Cb 0.27 -0.93 0.44 0.00 -2.36 0.00 0.00 39.78 37.20 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 10.17 2.45 0.03 -2.53 0.00 0.52 -2.93 120.51 128.21 1ivm n ALA 76 Ca 0.61 -0.09 -0.00 0.00 0.00 0.00 0.00 53.44 53.96 1ivm n ALA 76 Cb 0.17 -1.42 -0.09 0.00 0.00 0.00 0.00 19.45 18.12 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 1.40 -0.26 3.41 0.00 0.00 -1.15 -4.94 105.19 103.65 1ivm n GLY 78 Ca -0.10 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.26 0.04 -0.16 -0.61 -0.00 -1.26 -5.05 121.20 110.91 1ivm s ILE 79 Ca 0.11 -1.34 -0.26 0.00 -0.00 0.00 0.00 60.65 59.16 1ivm s ILE 79 Cb -0.01 -1.91 -0.01 0.00 -0.00 0.00 0.00 42.46 40.52 1ivm s ILE 79 CO 0.51 -0.20 0.88 0.20 -0.00 0.00 0.00 174.94 176.33 1ivm s ASN 80 N -2.97 7.02 0.51 4.36 0.01 -1.26 -1.71 114.94 120.89 1ivm s ASN 80 Ca 0.18 1.26 0.33 0.00 -0.71 0.00 0.00 52.86 53.92 1ivm s ASN 80 Cb 0.02 -2.48 1.47 0.00 0.41 0.00 0.00 41.25 40.67 1ivm s ASN 80 CO 0.02 -0.42 1.78 0.00 -1.51 0.00 0.00 177.10 176.97 1ivm h SER 82 N 0.08 0.00 0.31 0.00 0.87 -1.90 1.34 113.55 114.24 1ivm h SER 82 Ca 0.60 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.16 1ivm h SER 82 Cb 2.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.15 1ivm h SER 82 CO -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.22 1ivm n ALA 83 N -2.65 1.39 -0.15 6.23 0.00 0.51 -0.09 120.51 125.75 1ivm n ALA 83 Ca 0.13 -0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.67 1ivm n ALA 83 Cb 0.76 -1.17 0.25 0.00 0.00 0.00 0.00 19.45 19.29 1ivm n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ivm n LEU 84 N -1.61 3.54 -0.07 0.00 4.77 0.46 -4.10 117.00 119.99 1ivm n LEU 84 Ca 0.02 -1.85 0.00 0.00 -0.03 0.00 0.00 56.01 54.15 1ivm n LEU 84 Cb 0.11 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1ivm n LEU 84 CO 0.09 0.85 0.28 -0.11 -1.33 0.00 0.00 177.39 177.18 1ivm n LEU 85 N 1.32 0.25 0.00 2.23 7.94 0.86 -4.36 117.00 125.25 1ivm n LEU 85 Ca 0.20 -0.41 -0.03 0.00 -1.11 0.00 0.00 56.01 54.66 1ivm n LEU 85 Cb 0.56 -0.01 0.02 0.00 0.53 0.00 0.00 43.42 44.52 1ivm n LEU 85 CO 0.14 0.10 0.08 0.00 -1.11 0.00 0.00 177.39 176.60 1ivm n GLN 86 N -0.08 0.55 -0.00 1.96 1.13 -0.34 -5.04 117.38 115.56 1ivm n GLN 86 Ca 0.00 -0.40 -0.00 0.00 -1.94 0.00 0.00 57.00 54.66 1ivm n GLN 86 Cb 0.50 -0.09 -0.00 0.00 0.11 0.00 0.00 30.24 30.76 1ivm n GLN 86 CO 0.00 0.00 0.00 0.22 -1.44 0.00 0.00 177.06 175.84 1ivm h ASP 87 N -0.08 0.00 -2.44 1.08 3.58 -1.91 -3.36 116.42 113.30 1ivm h ASP 87 Ca -0.05 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.81 1ivm h ASP 87 Cb 0.18 0.00 0.07 0.00 1.72 0.00 0.00 39.33 41.30 1ivm h ASP 87 CO 0.05 0.04 0.62 0.47 -2.88 0.00 0.00 179.24 177.54 1ivm n ASP 88 N -2.22 2.65 -0.68 2.28 9.92 -1.26 -3.63 116.55 123.61 1ivm n ASP 88 Ca -0.00 1.12 0.13 0.00 -0.53 0.00 0.00 54.79 55.51 1ivm n ASP 88 Cb 0.00 -1.39 0.36 0.00 -0.64 0.00 0.00 41.12 39.45 1ivm n ASP 88 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1ivm n ILE 89 N 2.31 0.07 -0.41 0.53 -5.35 -1.26 -4.28 119.36 110.97 1ivm n ILE 89 Ca 0.14 -0.37 0.33 0.00 -0.27 0.00 0.00 62.75 62.58 1ivm n ILE 89 Cb 0.29 0.80 0.61 0.00 -1.74 0.00 0.00 39.64 39.60 1ivm n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ivm h THR 90 N 3.16 0.21 -0.14 7.28 1.03 -1.92 1.62 112.91 124.16 1ivm h THR 90 Ca 0.00 -0.05 -0.20 0.00 -0.01 0.00 0.00 66.41 66.14 1ivm h THR 90 Cb 0.68 0.04 0.01 0.00 -1.07 0.00 0.00 68.15 67.81 1ivm h THR 90 CO 0.00 0.03 -0.71 0.00 -0.01 0.00 0.00 175.52 174.83 1ivm h ALA 91 N 1.63 0.27 -0.95 0.00 0.00 -1.81 0.15 119.26 118.54 1ivm h ALA 91 Ca 0.77 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ivm h ALA 91 Cb 2.30 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 20.03 1ivm h ALA 91 CO -0.41 0.60 0.58 0.00 0.00 0.00 0.00 179.25 180.02 1ivm h ALA 92 N 0.52 1.21 0.03 0.00 0.00 0.19 0.88 119.26 122.10 1ivm h ALA 92 Ca -0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ivm h ALA 92 Cb 1.35 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1ivm h ALA 92 CO 0.15 0.67 -0.02 0.82 0.00 0.00 0.00 179.25 180.87 1ivm h ILE 93 N 1.31 1.37 -0.27 0.00 2.04 -0.28 0.53 117.51 122.21 1ivm h ILE 93 Ca 0.34 -1.40 0.04 0.00 1.00 0.00 0.00 64.86 64.85 1ivm h ILE 93 Cb -0.06 2.29 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 1ivm h ILE 93 CO -0.06 0.35 0.04 -0.61 0.00 0.00 0.00 178.15 177.86 1ivm h GLN 94 N -0.67 0.13 -0.38 2.37 -0.00 -0.45 0.19 115.11 116.31 1ivm h GLN 94 Ca -0.00 -0.01 -0.09 0.00 -0.00 0.00 0.00 58.65 58.55 1ivm h GLN 94 Cb 0.60 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.04 1ivm h GLN 94 CO 0.01 0.09 -0.11 0.00 0.00 0.00 0.00 178.83 178.82 1ivm h ALA 96 N 0.83 0.40 -0.26 0.00 0.00 0.81 1.53 119.26 122.57 1ivm h ALA 96 Ca 0.09 0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 1ivm h ALA 96 Cb 0.63 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1ivm h ALA 96 CO 0.04 -0.42 -0.22 1.57 0.00 0.00 0.00 179.25 180.22 1ivm h LYS 97 N 0.05 0.60 0.00 0.00 2.10 -0.46 0.12 116.57 118.97 1ivm h LYS 97 Ca 0.25 -0.30 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 1ivm h LYS 97 Cb 0.38 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.71 1ivm h LYS 97 CO -0.48 0.89 -0.03 -0.09 -2.00 0.00 0.00 179.45 177.75 1ivm h ARG 98 N 0.32 0.00 0.00 0.07 2.43 0.98 0.86 114.38 119.04 1ivm h ARG 98 Ca 0.05 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1ivm h ARG 98 Cb 0.77 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1ivm h ARG 98 CO 0.06 0.03 -0.35 0.28 -1.51 0.00 0.00 179.97 178.47 1ivm h VAL 99 N 0.00 0.29 0.00 0.20 2.07 0.25 -3.34 116.25 115.72 1ivm h VAL 99 Ca -0.00 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 1ivm h VAL 99 Cb 0.11 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1ivm h VAL 99 CO 0.00 0.10 -0.01 0.58 0.02 0.00 0.00 177.57 178.26 1ivm h VAL 100 N -1.00 0.24 0.00 2.57 2.07 -0.57 0.15 116.25 119.70 1ivm h VAL 100 Ca -0.04 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1ivm h VAL 100 Cb 0.46 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1ivm h VAL 100 CO -0.02 0.01 0.00 0.03 0.02 0.00 0.00 177.57 177.60 1ivm h ARG 101 N 0.00 0.00 -7.73 1.57 3.08 0.64 -3.35 114.38 108.58 1ivm h ARG 101 Ca -0.00 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.61 1ivm h ARG 101 Cb 0.04 0.00 0.17 0.00 0.08 0.00 0.00 29.97 30.26 1ivm h ARG 101 CO 0.00 0.00 0.35 -0.51 -1.07 0.00 0.00 179.97 178.74 1ivm s ASP 102 N -4.49 2.49 0.00 7.04 1.11 0.53 -4.91 116.67 118.43 1ivm s ASP 102 Ca -0.00 0.33 0.20 0.00 0.18 0.00 0.00 52.55 53.25 1ivm s ASP 102 Cb 0.09 -0.39 1.18 0.00 1.07 0.00 0.00 42.92 44.86 1ivm s ASP 102 CO 0.34 -3.13 1.61 -0.81 1.18 0.00 0.00 175.17 174.36 1ivm n PRO 103 N -4.04 0.75 0.24 8.23 -0.04 -1.26 -3.58 135.00 135.30 1ivm n PRO 103 Ca 0.15 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.51 1ivm n PRO 103 Cb 0.59 -1.41 -0.05 0.00 -0.04 0.00 0.00 33.50 32.60 1ivm n PRO 103 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1ivm h GLN 104 N 0.00 -0.64 0.00 0.54 1.08 -1.84 -3.50 115.11 110.75 1ivm h GLN 104 Ca 0.00 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1ivm h GLN 104 Cb 0.00 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1ivm h GLN 104 CO 0.00 -0.42 0.00 0.41 -0.95 0.00 0.00 178.83 177.87 1ivm n GLY 105 N -0.02 -2.53 0.61 3.46 0.00 -1.23 -4.25 105.19 101.22 1ivm n GLY 105 Ca -0.08 -1.42 0.41 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 0.09 -1.36 -0.61 1.08 -1.94 0.55 117.51 115.32 1ivm h ILE 106 Ca 0.00 0.00 0.44 0.00 -0.39 0.00 0.00 64.86 64.91 1ivm h ILE 106 Cb 0.00 0.11 -0.12 0.00 -3.07 0.00 0.00 36.82 33.74 1ivm h ILE 106 CO 0.00 0.00 0.89 -0.09 -0.69 0.00 0.00 178.15 178.26 1ivm h ARG 107 N 0.00 0.07 -1.29 2.37 1.12 -1.99 1.14 114.38 115.79 1ivm h ARG 107 Ca 0.70 -0.00 0.40 0.00 -1.11 0.00 0.00 59.98 59.97 1ivm h ARG 107 Cb 3.12 -0.02 -0.11 0.00 -0.01 0.00 0.00 29.97 32.95 1ivm h ARG 107 CO -0.01 0.05 0.85 0.00 -3.11 0.00 0.00 179.97 177.75 1ivm h ALA 108 N 1.56 2.72 -1.63 2.80 0.00 -0.05 0.22 119.26 124.88 1ivm h ALA 108 Ca 0.83 0.08 -0.78 0.00 0.00 0.00 0.00 54.91 55.04 1ivm h ALA 108 Cb 2.66 0.16 -0.29 0.00 0.00 0.00 0.00 17.79 20.31 1ivm h ALA 108 CO -0.39 -1.28 0.74 0.91 0.00 0.00 0.00 179.25 179.23 1ivm n TRP 109 N -4.60 2.68 -0.26 0.00 8.01 0.39 -4.79 117.44 118.87 1ivm n TRP 109 Ca 0.34 -2.74 0.32 0.00 -1.31 0.00 0.00 57.50 54.11 1ivm n TRP 109 Cb 1.34 -1.14 0.63 0.00 -2.01 0.00 0.00 31.31 30.13 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 2.80 0.15 -0.73 -0.99 2.07 -0.72 0.55 116.25 119.38 1ivm h VAL 110 Ca 0.36 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.04 1ivm h VAL 110 Cb 0.47 0.22 -0.13 0.00 -1.52 0.00 0.00 31.29 30.33 1ivm h VAL 110 CO 1.20 0.00 0.02 0.00 0.02 0.00 0.00 177.57 178.81 1ivm h ALA 111 N 0.99 0.77 -0.62 1.67 0.00 -1.87 1.50 119.26 121.70 1ivm h ALA 111 Ca 0.52 0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.69 1ivm h ALA 111 Cb 2.56 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 20.71 1ivm h ALA 111 CO -0.01 -0.41 0.41 2.35 0.00 0.00 0.00 179.25 181.59 1ivm h TRP 112 N 0.12 0.71 0.00 0.00 7.01 -0.24 0.48 115.95 124.02 1ivm h TRP 112 Ca 0.40 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.42 1ivm h TRP 112 Cb 0.69 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 27.51 1ivm h TRP 112 CO -0.40 0.41 0.00 -0.09 -2.79 0.00 0.00 178.44 175.57 1ivm h ARG 113 N 0.74 0.00 -0.06 2.65 2.43 0.20 1.16 114.38 121.50 1ivm h ARG 113 Ca 0.25 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.33 1ivm h ARG 113 Cb 0.07 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.50 1ivm h ARG 113 CO -0.07 0.00 -0.66 0.00 -1.51 0.00 0.00 179.97 177.73 1ivm n ALA 114 N -1.82 3.44 0.00 2.80 0.00 0.15 -4.32 120.51 120.77 1ivm n ALA 114 Ca 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 53.44 50.33 1ivm n ALA 114 Cb 0.14 -0.45 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 -0.71 -0.61 -0.09 0.00 -0.00 -0.42 -4.82 115.22 108.57 1ivm n HIS 115 Ca 0.18 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.21 1ivm n HIS 115 Cb 0.82 0.23 -0.08 0.00 -0.12 0.00 0.00 29.99 30.84 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 -4.53 0.14 0.00 0.00 7.27 -0.93 -2.89 117.38 116.44 1ivm n GLN 117 Ca -0.20 0.61 0.00 0.00 0.07 0.00 0.00 57.00 57.48 1ivm n GLN 117 Cb 0.48 -1.93 0.00 0.00 2.41 0.00 0.00 30.24 31.20 1ivm n GLN 117 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1ivm n ASN 118 N -2.22 0.00 -0.87 1.69 5.15 -1.25 -4.97 115.26 112.78 1ivm n ASN 118 Ca -0.01 0.88 0.00 0.00 -0.60 0.00 0.00 54.58 54.85 1ivm n ASN 118 Cb 0.05 -0.41 0.00 0.00 -0.53 0.00 0.00 39.78 38.89 1ivm n ASN 118 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1ivm n ARG 119 N -1.74 0.65 -2.30 1.20 0.63 -1.14 -5.06 116.66 108.90 1ivm n ARG 119 Ca 0.00 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.52 1ivm n ARG 119 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 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 -0.39 5.94 -0.13 6.15 2.15 -1.26 -4.76 116.67 124.37 1ivm s ASP 120 Ca 0.00 0.32 0.16 0.00 0.43 0.00 0.00 52.55 53.46 1ivm s ASP 120 Cb 0.00 -2.54 0.69 0.00 -0.30 0.00 0.00 42.92 40.77 1ivm s ASP 120 CO 0.00 -1.85 1.59 -0.11 -0.17 0.00 0.00 175.17 174.63 1ivm n LEU 121 N 10.25 4.65 0.12 -1.34 -0.00 -1.26 -4.06 117.00 125.36 1ivm n LEU 121 Ca 0.14 -2.35 0.13 0.00 -0.00 0.00 0.00 56.01 53.93 1ivm n LEU 121 Cb 0.50 -0.58 0.29 0.00 -0.00 0.00 0.00 43.42 43.62 1ivm n LEU 121 CO 0.71 0.74 0.72 -1.28 -0.00 0.00 0.00 177.39 178.27 1ivm h SER 122 N 3.83 0.00 1.00 1.96 0.87 -1.91 -3.13 113.55 116.18 1ivm h SER 122 Ca 0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1ivm h SER 122 Cb 1.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.42 1ivm h SER 122 CO 0.26 0.02 0.00 -0.61 -0.53 0.00 0.00 176.83 175.97 1ivm h GLN 123 N 0.00 0.00 0.00 2.24 5.75 -1.86 0.38 115.11 121.62 1ivm h GLN 123 Ca 0.00 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.30 1ivm h GLN 123 Cb 0.81 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.33 1ivm h GLN 123 CO 0.00 0.00 -0.95 -0.92 -2.65 0.00 0.00 178.83 174.31 1ivm h TYR 124 N 0.00 0.02 0.00 3.99 3.20 -1.85 -3.30 116.97 119.03 1ivm h TYR 124 Ca 0.00 -0.01 -0.26 0.00 3.14 0.00 0.00 58.73 61.60 1ivm h TYR 124 Cb 0.50 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.72 1ivm h TYR 124 CO 0.00 0.95 -2.16 0.44 -1.64 0.00 0.00 178.16 175.75 1ivm n ILE 125 N -3.42 1.06 -2.60 1.81 -5.35 -1.01 -4.60 119.36 105.24 1ivm n ILE 125 Ca -0.00 -0.76 -0.43 0.00 -0.27 0.00 0.00 62.75 61.29 1ivm n ILE 125 Cb 0.89 -0.41 -0.02 0.00 -1.74 0.00 0.00 39.64 38.36 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 -2.78 4.34 -0.52 6.28 3.52 0.13 -2.81 118.95 127.11 1ivm s ARG 126 Ca -0.09 1.47 0.00 0.00 -0.13 0.00 0.00 55.73 56.99 1ivm s ARG 126 Cb 0.08 -3.60 0.00 0.00 -1.56 0.00 0.00 34.95 29.87 1ivm s ARG 126 CO 0.85 -0.48 0.00 -1.71 -0.81 0.00 0.00 175.30 173.15 1ivm n ASN 127 N 5.61 -2.97 0.07 -2.12 5.15 -1.26 -4.77 115.26 114.98 1ivm n ASN 127 Ca 0.11 0.06 -0.13 0.00 -0.60 0.00 0.00 54.58 54.02 1ivm n ASN 127 Cb 0.47 -1.64 -0.13 0.00 -0.53 0.00 0.00 39.78 37.95 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 1.51 1.36 0.46 0.00 0.00 -1.26 -4.82 105.19 102.44 1ivm n GLY 129 Ca -0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.07 1ivm n GLY 129 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70