#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 4.43 -0.26 3.15 1.01 -1.26 0.41 120.40 127.88 1ivm s VAL 2 Ca 0.00 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 1ivm s VAL 2 Cb 0.00 -3.02 0.12 0.00 0.00 0.00 0.00 36.38 33.49 1ivm s VAL 2 CO 0.00 0.33 0.53 -0.31 0.00 0.00 0.00 175.10 175.65 1ivm s TYR 3 N -1.17 -1.12 0.44 5.22 1.51 0.55 -4.90 117.35 117.89 1ivm s TYR 3 Ca 0.22 1.78 0.07 0.00 -1.01 0.00 0.00 57.07 58.14 1ivm s TYR 3 Cb -0.12 0.50 -0.01 0.00 -0.11 0.00 0.00 41.96 42.22 1ivm s TYR 3 CO 0.13 -0.63 0.40 -1.83 -1.11 0.00 0.00 175.55 172.51 1ivm s GLU 4 N 2.75 2.48 0.19 -0.62 -1.05 -1.26 0.28 118.70 121.47 1ivm s GLU 4 Ca 0.01 -1.61 -0.22 0.00 -0.15 0.00 0.00 54.97 53.00 1ivm s GLU 4 Cb -0.13 -2.35 0.12 0.00 -0.44 0.00 0.00 34.13 31.34 1ivm s GLU 4 CO -0.17 -0.29 1.57 0.07 0.95 0.00 0.00 175.26 177.40 1ivm h ARG 5 N 0.95 -0.13 0.00 -4.83 0.11 -1.95 0.97 114.38 109.51 1ivm h ARG 5 Ca -0.40 0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.69 1ivm h ARG 5 Cb 1.27 0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.38 1ivm h ARG 5 CO 0.57 -0.08 0.00 0.00 0.10 0.00 0.00 179.97 180.55 1ivm n GLU 7 N -1.17 -0.18 -0.26 0.00 -0.58 -1.02 0.83 120.64 118.27 1ivm n GLU 7 Ca 0.00 1.01 0.03 0.00 -0.42 0.00 0.00 57.16 57.78 1ivm n GLU 7 Cb 0.00 -1.49 0.12 0.00 -0.57 0.00 0.00 31.44 29.50 1ivm n GLU 7 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1ivm h PHE 8 N 0.00 -0.23 0.13 -0.32 3.57 0.99 0.44 116.94 121.52 1ivm h PHE 8 Ca 0.06 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1ivm h PHE 8 Cb 0.16 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1ivm h PHE 8 CO -0.79 -0.29 -0.19 0.00 -2.23 0.00 0.00 178.31 174.81 1ivm h ALA 9 N 1.73 -0.34 0.08 2.41 0.00 0.59 0.34 119.26 124.07 1ivm h ALA 9 Ca 0.39 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.28 1ivm h ALA 9 Cb 0.64 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1ivm h ALA 9 CO -0.72 -0.73 -0.35 -0.09 0.00 0.00 0.00 179.25 177.37 1ivm h ARG 10 N -0.38 -0.53 -0.06 0.00 2.43 0.24 0.16 114.38 116.23 1ivm h ARG 10 Ca 0.02 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1ivm h ARG 10 Cb 0.39 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.00 1ivm h ARG 10 CO -0.09 -0.35 -0.31 1.15 -1.51 0.00 0.00 179.97 178.86 1ivm h THR 11 N -0.55 0.31 -0.53 0.20 2.02 -0.00 0.95 112.91 115.31 1ivm h THR 11 Ca 0.04 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.32 1ivm h THR 11 Cb 0.60 0.31 -0.10 0.00 -1.74 0.00 0.00 68.15 67.22 1ivm h THR 11 CO -0.23 0.00 -0.16 0.25 0.37 0.00 0.00 175.52 175.75 1ivm h LEU 12 N -0.43 -0.57 -1.57 2.58 5.85 0.08 1.74 115.31 123.00 1ivm h LEU 12 Ca 0.08 0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 1ivm h LEU 12 Cb 0.54 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1ivm h LEU 12 CO -0.30 -0.20 -0.23 0.50 -0.34 0.00 0.00 178.44 177.87 1ivm h LYS 13 N -0.03 0.00 0.00 1.25 3.64 0.30 0.96 116.57 122.69 1ivm h LYS 13 Ca 0.25 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.55 1ivm h LYS 13 Cb 0.42 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1ivm h LYS 13 CO -0.56 0.23 -0.40 -0.09 -2.27 0.00 0.00 179.45 176.36 1ivm h ARG 14 N 0.00 0.00 0.14 1.90 2.43 0.77 -3.27 114.38 116.34 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 0.43 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1ivm h ARG 14 CO 0.03 0.40 -1.96 -0.97 -1.51 0.00 0.00 179.97 175.96 1ivm h ASN 15 N 0.00 0.45 0.00 -3.80 -1.24 0.35 -3.49 115.58 107.84 1ivm h ASN 15 Ca -0.00 -0.96 0.00 0.00 0.71 0.00 0.00 56.30 56.05 1ivm h ASN 15 Cb 1.24 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 40.14 1ivm h ASN 15 CO 0.05 1.85 0.00 0.61 -1.29 0.00 0.00 177.43 178.65 1ivm n GLY 16 N 1.97 0.87 0.00 1.57 0.00 0.31 -5.05 105.19 104.86 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 1.03 0.00 0.00 0.00 173.32 174.35 1ivm n MET 17 N 0.00 0.20 -1.48 1.61 2.81 -0.06 -4.86 117.12 115.34 1ivm n MET 17 Ca 0.00 0.00 -0.50 0.00 -1.81 0.00 0.00 57.70 55.39 1ivm n MET 17 Cb 0.00 -0.89 -0.06 0.00 -0.71 0.00 0.00 33.22 31.55 1ivm n MET 17 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ivm n ALA 18 N -2.24 1.14 -1.44 3.04 0.00 -1.22 0.11 120.51 119.90 1ivm n ALA 18 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1ivm n ALA 18 Cb 0.39 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.26 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 6.34 0.66 3.02 0.00 0.00 -1.23 -4.69 105.19 109.29 1ivm n GLY 19 Ca 0.39 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.27 -2.09 -0.30 1.61 9.36 0.29 -4.73 117.16 118.02 1ivm n TYR 20 Ca 0.00 0.10 -0.01 0.00 3.32 0.00 0.00 57.90 61.31 1ivm n TYR 20 Cb 0.32 -1.40 0.02 0.00 -0.63 0.00 0.00 39.34 37.65 1ivm n TYR 20 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1ivm n TYR 21 N -4.23 -0.01 0.03 2.98 4.02 -1.26 -4.02 117.16 114.67 1ivm n TYR 21 Ca 0.04 0.95 -0.01 0.00 -0.01 0.00 0.00 57.90 58.87 1ivm n TYR 21 Cb 0.38 -0.77 -0.00 0.00 -0.02 0.00 0.00 39.34 38.93 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 -1.35 -0.09 3.70 2.72 0.00 -1.26 -5.00 105.19 103.91 1ivm n GLY 22 Ca 0.07 -0.04 -0.58 0.00 0.00 0.00 0.00 46.02 45.48 1ivm n GLY 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ivm n VAL 23 N -3.47 0.29 -3.28 1.61 0.31 -1.26 -4.91 118.33 107.63 1ivm n VAL 23 Ca -0.02 -0.06 -0.35 0.00 -0.01 0.00 0.00 64.34 63.91 1ivm n VAL 23 Cb 0.06 -1.21 -0.06 0.00 -0.91 0.00 0.00 33.84 31.72 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 3.71 6.85 0.26 4.52 0.15 -1.26 -0.49 113.70 127.44 1ivm s SER 24 Ca 0.99 1.16 -0.08 0.00 0.70 0.00 0.00 55.95 58.72 1ivm s SER 24 Cb -1.08 -2.32 0.42 0.00 -1.71 0.00 0.00 66.02 61.33 1ivm s SER 24 CO 0.66 0.03 1.59 0.25 1.20 0.00 0.00 173.24 176.96 1ivm h LEU 25 N 3.24 -0.73 -0.87 3.45 5.85 -1.84 1.59 115.31 126.01 1ivm h LEU 25 Ca -0.48 0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.53 1ivm h LEU 25 Cb 1.19 0.51 -0.05 0.00 0.37 0.00 0.00 40.66 42.68 1ivm h LEU 25 CO 0.66 -0.28 0.56 0.00 -0.34 0.00 0.00 178.44 179.04 1ivm h ALA 26 N 1.86 1.15 -0.51 1.25 0.00 -1.93 0.20 119.26 121.28 1ivm h ALA 26 Ca 0.44 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.26 1ivm h ALA 26 Cb 0.71 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1ivm h ALA 26 CO -0.87 0.39 0.13 -0.44 0.00 0.00 0.00 179.25 178.46 1ivm h ASP 27 N 1.08 0.72 0.54 0.00 3.32 0.16 0.69 116.42 122.93 1ivm h ASP 27 Ca 0.35 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1ivm h ASP 27 Cb 0.02 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.39 1ivm h ASP 27 CO -0.12 0.71 -0.26 -0.50 -1.72 0.00 0.00 179.24 177.34 1ivm h TRP 28 N 0.75 -0.68 0.48 4.55 -0.00 0.18 0.42 115.95 121.65 1ivm h TRP 28 Ca 0.17 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 59.03 1ivm h TRP 28 Cb 0.27 0.22 -0.02 0.00 -0.00 0.00 0.00 29.16 29.63 1ivm h TRP 28 CO 0.01 -0.35 -0.46 0.28 -0.00 0.00 0.00 178.44 177.92 1ivm h VAL 29 N -1.02 0.08 -0.70 1.49 2.07 -0.49 0.87 116.25 118.56 1ivm h VAL 29 Ca -0.07 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.60 1ivm h VAL 29 Cb 0.63 0.08 -0.11 0.00 -1.52 0.00 0.00 31.29 30.37 1ivm h VAL 29 CO 0.12 0.00 0.07 0.00 0.02 0.00 0.00 177.57 177.78 1ivm h LEU 31 N 0.17 -0.83 -2.57 0.00 7.12 0.68 0.39 115.31 120.27 1ivm h LEU 31 Ca 0.38 0.05 0.01 0.00 0.13 0.00 0.00 57.88 58.45 1ivm h LEU 31 Cb 0.65 0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 41.03 1ivm h LEU 31 CO -0.56 -0.50 0.07 0.00 -0.13 0.00 0.00 178.44 177.32 1ivm h ALA 32 N -0.37 1.38 0.09 1.25 0.00 0.26 -0.76 119.26 121.12 1ivm h ALA 32 Ca -0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ivm h ALA 32 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ivm h ALA 32 CO 0.05 -0.09 -0.05 0.37 0.00 0.00 0.00 179.25 179.53 1ivm h GLN 33 N 0.00 -0.12 -0.14 0.00 4.15 0.34 0.17 115.11 119.50 1ivm h GLN 33 Ca 0.02 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.49 1ivm h GLN 33 Cb 0.16 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1ivm h GLN 33 CO -0.00 0.38 0.13 1.25 -1.93 0.00 0.00 178.83 178.66 1ivm h HIS 34 N -0.89 0.00 0.24 3.99 2.76 0.48 -2.70 115.15 119.02 1ivm h HIS 34 Ca -0.01 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1ivm h HIS 34 Cb 0.56 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.52 1ivm h HIS 34 CO 0.12 0.00 -0.12 0.93 -1.30 0.00 0.00 177.93 177.56 1ivm h GLU 35 N 0.00 -0.31 0.00 5.26 4.39 -1.17 -3.48 114.58 119.27 1ivm h GLU 35 Ca 0.07 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1ivm h GLU 35 Cb 0.33 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1ivm h GLU 35 CO -0.00 -0.21 0.00 0.43 -1.16 0.00 0.00 179.01 178.07 1ivm n SER 36 N -4.54 0.00 -3.71 1.42 7.64 -0.58 -4.86 113.62 108.99 1ivm n SER 36 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1ivm n SER 36 Cb 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1ivm n SER 36 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ivm n ASN 37 N 0.00 0.00 0.00 6.43 6.94 0.48 -3.84 115.26 125.27 1ivm n ASN 37 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1ivm n ASN 37 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1ivm n ASN 37 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1ivm n TYR 38 N -0.78 0.00 -4.40 -2.53 4.01 0.81 -4.69 117.16 109.59 1ivm n TYR 38 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.49 1ivm n TYR 38 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.92 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 3.23 -0.27 7.72 3.84 -1.25 0.20 114.94 128.41 1ivm s ASN 39 Ca 0.00 -0.89 0.18 0.00 0.21 0.00 0.00 52.86 52.35 1ivm s ASN 39 Cb 0.00 -0.23 0.49 0.00 -0.55 0.00 0.00 41.25 40.96 1ivm s ASN 39 CO 0.00 0.06 1.13 1.07 -2.79 0.00 0.00 177.10 176.56 1ivm n THR 40 N 0.12 1.64 0.31 -5.21 5.66 0.16 -4.70 114.28 112.26 1ivm n THR 40 Ca -0.11 -3.33 0.09 0.00 -3.05 0.00 0.00 64.05 57.64 1ivm n THR 40 Cb 0.57 0.54 0.14 0.00 -1.55 0.00 0.00 70.33 70.03 1ivm n THR 40 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1ivm n ARG 41 N -0.61 1.96 -1.52 1.09 0.63 -1.26 -4.41 116.66 112.54 1ivm n ARG 41 Ca 0.18 -1.86 -0.60 0.00 -0.92 0.00 0.00 57.85 54.65 1ivm n ARG 41 Cb 0.85 -1.36 -0.10 0.00 0.45 0.00 0.00 32.46 32.30 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 1.00 -0.19 -3.72 5.13 0.00 -1.26 -4.80 120.51 116.67 1ivm n ALA 42 Ca 0.13 0.28 -0.13 0.00 0.00 0.00 0.00 53.44 53.72 1ivm n ALA 42 Cb 0.47 -2.14 -0.14 0.00 0.00 0.00 0.00 19.45 17.64 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 4.83 -0.09 -0.31 0.00 -4.23 -1.26 0.36 115.64 114.95 1ivm s THR 43 Ca 1.10 0.18 0.01 0.00 -1.18 0.00 0.00 61.69 61.79 1ivm s THR 43 Cb -1.31 -0.34 0.14 0.00 1.34 0.00 0.00 72.50 72.33 1ivm s THR 43 CO 0.68 0.08 0.32 0.20 -0.54 0.00 0.00 174.62 175.35 1ivm s ASN 44 N 1.39 1.53 0.28 3.99 0.01 0.47 -4.95 114.94 117.66 1ivm s ASN 44 Ca -0.08 -1.00 -0.10 0.00 -0.71 0.00 0.00 52.86 50.97 1ivm s ASN 44 Cb -0.11 0.52 -0.07 0.00 0.41 0.00 0.00 41.25 42.00 1ivm s ASN 44 CO -0.08 -0.35 0.61 -0.31 -1.51 0.00 0.00 177.10 175.47 1ivm s TYR 45 N 2.08 3.43 -0.30 2.20 1.51 -1.26 0.49 117.35 125.51 1ivm s TYR 45 Ca 0.12 0.92 0.01 0.00 -1.01 0.00 0.00 57.07 57.10 1ivm s TYR 45 Cb -0.14 -2.31 0.19 0.00 -0.11 0.00 0.00 41.96 39.59 1ivm s TYR 45 CO -0.24 0.17 0.66 -0.80 -1.11 0.00 0.00 175.55 174.23 1ivm s ASN 46 N -2.58 -1.36 0.06 2.29 -0.87 -0.16 -4.96 114.94 107.36 1ivm s ASN 46 Ca 0.49 0.46 0.03 0.00 -1.57 0.00 0.00 52.86 52.26 1ivm s ASN 46 Cb -0.11 1.98 -0.25 0.00 -0.02 0.00 0.00 41.25 42.86 1ivm s ASN 46 CO 0.23 -0.25 1.07 -0.09 -2.57 0.00 0.00 177.10 175.49 1ivm h ARG 47 N 7.94 0.12 -0.87 -0.60 2.43 -1.95 0.42 114.38 121.88 1ivm h ARG 47 Ca -0.11 -0.21 0.29 0.00 -0.81 0.00 0.00 59.98 59.14 1ivm h ARG 47 Cb 1.18 0.08 -0.16 0.00 -0.42 0.00 0.00 29.97 30.64 1ivm h ARG 47 CO 0.16 1.02 0.20 0.41 -1.51 0.00 0.00 179.97 180.25 1ivm n GLY 48 N 1.49 -0.97 0.80 2.80 0.00 -1.26 0.17 105.19 108.22 1ivm n GLY 48 Ca -0.08 0.80 0.03 0.00 0.00 0.00 0.00 46.02 46.77 1ivm n GLY 48 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ivm n ASP 49 N -5.15 1.99 -3.92 1.61 2.03 -1.25 -4.98 116.55 106.89 1ivm n ASP 49 Ca 0.26 -3.78 -0.30 0.00 0.52 0.00 0.00 54.79 51.49 1ivm n ASP 49 Cb 0.86 -0.50 -0.02 0.00 -0.72 0.00 0.00 41.12 40.74 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 -0.99 -0.63 -3.91 -0.67 -0.06 0.44 -4.90 117.38 106.66 1ivm n GLN 50 Ca 0.21 -0.06 -0.10 0.00 -2.00 0.00 0.00 57.00 55.05 1ivm n GLN 50 Cb 0.74 -1.82 -0.10 0.00 -4.06 0.00 0.00 30.24 25.00 1ivm n GLN 50 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1ivm s SER 51 N -3.97 0.11 0.05 1.69 1.04 0.15 -4.74 113.70 108.03 1ivm s SER 51 Ca 0.23 -0.36 -0.08 0.00 0.48 0.00 0.00 55.95 56.21 1ivm s SER 51 Cb -0.13 0.19 -0.00 0.00 0.10 0.00 0.00 66.02 66.18 1ivm s SER 51 CO 0.70 -0.40 0.17 -0.89 0.98 0.00 0.00 173.24 173.80 1ivm s THR 52 N -1.75 0.13 -0.07 2.02 2.01 -1.26 -0.99 115.64 115.72 1ivm s THR 52 Ca -0.12 -1.03 -0.03 0.00 0.31 0.00 0.00 61.69 60.82 1ivm s THR 52 Cb -0.06 -1.03 0.04 0.00 0.01 0.00 0.00 72.50 71.45 1ivm s THR 52 CO -0.01 -0.57 0.07 -1.81 -0.69 0.00 0.00 174.62 171.61 1ivm s ASP 53 N -2.31 1.41 0.22 3.53 1.01 0.18 0.21 116.67 120.92 1ivm s ASP 53 Ca -0.02 -0.07 -0.12 0.00 0.71 0.00 0.00 52.55 53.04 1ivm s ASP 53 Cb 0.01 -0.15 -0.00 0.00 1.01 0.00 0.00 42.92 43.78 1ivm s ASP 53 CO -0.06 -0.27 0.43 -0.72 0.21 0.00 0.00 175.17 174.76 1ivm s TYR 54 N 2.17 0.34 0.00 4.23 -0.85 0.10 0.18 117.35 123.52 1ivm s TYR 54 Ca 0.04 -0.69 0.00 0.00 -0.52 0.00 0.00 57.07 55.90 1ivm s TYR 54 Cb -0.13 0.13 0.00 0.00 0.38 0.00 0.00 41.96 42.34 1ivm s TYR 54 CO -0.04 -0.91 0.00 0.41 -1.52 0.00 0.00 175.55 173.48 1ivm n GLY 55 N -0.34 2.31 0.43 5.49 0.00 0.16 -0.02 105.19 113.22 1ivm n GLY 55 Ca -0.04 -1.68 0.24 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.37 -0.61 2.10 -1.84 1.39 117.51 118.81 1ivm h ILE 56 Ca 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.92 1ivm h ILE 56 Cb 0.00 0.58 0.00 0.00 -1.09 0.00 0.00 36.82 36.31 1ivm h ILE 56 CO 0.00 0.01 0.00 0.49 -1.08 0.00 0.00 178.15 177.57 1ivm n PHE 57 N -4.34 1.13 -3.49 2.19 3.01 -1.26 -3.35 117.46 111.35 1ivm n PHE 57 Ca 0.15 -0.41 -0.28 0.00 1.01 0.00 0.00 57.45 57.92 1ivm n PHE 57 Cb 0.80 -0.28 0.02 0.00 -0.01 0.00 0.00 39.48 40.01 1ivm n PHE 57 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1ivm n GLN 58 N 0.47 -1.53 -3.91 -1.08 -0.06 0.48 -4.91 117.38 106.84 1ivm n GLN 58 Ca 0.16 0.92 -0.37 0.00 -2.00 0.00 0.00 57.00 55.72 1ivm n GLN 58 Cb 0.73 -1.89 -0.06 0.00 -4.06 0.00 0.00 30.24 24.97 1ivm n GLN 58 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1ivm s ILE 59 N -2.20 5.44 0.01 1.69 1.01 0.97 -4.82 121.20 123.30 1ivm s ILE 59 Ca 0.15 0.16 -0.19 0.00 0.00 0.00 0.00 60.65 60.77 1ivm s ILE 59 Cb -0.02 -3.38 -0.06 0.00 0.01 0.00 0.00 42.46 39.02 1ivm s ILE 59 CO 0.79 0.60 0.54 0.54 0.00 0.00 0.00 174.94 177.42 1ivm s ASN 60 N -1.08 6.95 -0.02 3.58 4.22 -1.26 0.03 114.94 127.36 1ivm s ASN 60 Ca 0.16 1.13 0.13 0.00 -2.14 0.00 0.00 52.86 52.14 1ivm s ASN 60 Cb -0.12 -2.34 0.42 0.00 1.28 0.00 0.00 41.25 40.49 1ivm s ASN 60 CO 0.05 0.19 1.33 -0.24 -2.04 0.00 0.00 177.10 176.38 1ivm n SER 61 N 2.33 2.67 0.02 3.54 2.88 0.57 -2.40 113.62 123.22 1ivm n SER 61 Ca -0.09 -2.08 -0.13 0.00 -1.33 0.00 0.00 58.87 55.24 1ivm n SER 61 Cb 0.51 -0.35 -0.14 0.00 -0.75 0.00 0.00 64.21 63.48 1ivm n SER 61 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1ivm h ARG 62 N 2.65 0.11 0.00 -1.46 2.43 -1.85 -3.39 114.38 112.87 1ivm h ARG 62 Ca 0.00 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 58.96 1ivm h ARG 62 Cb 0.73 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1ivm h ARG 62 CO 0.04 0.85 -1.26 0.66 -1.51 0.00 0.00 179.97 178.76 1ivm n TYR 63 N -3.27 0.00 -4.18 2.20 4.02 -1.25 -2.66 117.16 112.02 1ivm n TYR 63 Ca -0.17 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.48 1ivm n TYR 63 Cb 1.03 -0.14 -0.07 0.00 -0.02 0.00 0.00 39.34 40.14 1ivm n TYR 63 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1ivm s TRP 64 N -2.31 2.61 0.63 -0.72 0.51 -1.01 -0.40 118.94 118.25 1ivm s TRP 64 Ca -0.02 -0.52 0.00 0.00 -2.12 0.00 0.00 56.10 53.44 1ivm s TRP 64 Cb 0.03 -1.79 0.00 0.00 -0.81 0.00 0.00 33.47 30.90 1ivm s TRP 64 CO 0.21 0.29 0.00 0.00 -0.51 0.00 0.00 176.95 176.94 1ivm n ASN 66 N -4.27 1.74 0.00 0.00 6.94 0.21 -3.15 115.26 116.73 1ivm n ASN 66 Ca -0.09 -2.93 0.00 0.00 -0.02 0.00 0.00 54.58 51.54 1ivm n ASN 66 Cb 0.67 0.75 0.00 0.00 -2.36 0.00 0.00 39.78 38.85 1ivm n ASN 66 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1ivm n ASP 67 N -1.50 0.00 0.00 0.53 -0.08 -1.26 -2.48 116.55 111.76 1ivm n ASP 67 Ca -0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.19 1ivm n ASP 67 Cb 0.55 0.30 0.00 0.00 2.34 0.00 0.00 41.12 44.31 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 -1.06 1.03 0.01 0.27 0.00 -1.26 -4.83 105.19 99.35 1ivm n GLY 68 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1ivm n GLY 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ivm n LYS 69 N -2.00 0.23 -3.80 1.61 4.81 -1.26 -4.78 118.16 112.96 1ivm n LYS 69 Ca 0.00 -0.04 -0.29 0.00 -0.87 0.00 0.00 58.31 57.11 1ivm n LYS 69 Cb 0.00 -1.53 -0.16 0.00 0.02 0.00 0.00 35.03 33.36 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 -3.17 0.94 -1.19 3.15 -1.32 -1.26 -5.03 115.64 107.76 1ivm s THR 70 Ca 0.03 -0.99 -0.09 0.00 -1.21 0.00 0.00 61.69 59.43 1ivm s THR 70 Cb 0.15 -1.44 -0.07 0.00 -1.51 0.00 0.00 72.50 69.63 1ivm s THR 70 CO 0.85 -0.29 2.39 -0.81 -2.21 0.00 0.00 174.62 174.55 1ivm n PRO 71 N 4.87 2.65 0.06 7.08 -0.04 -1.26 -3.32 135.00 145.05 1ivm n PRO 71 Ca -0.08 -1.84 0.00 0.00 -0.04 0.00 0.00 63.50 61.54 1ivm n PRO 71 Cb 0.45 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 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 4.42 0.00 -1.07 0.54 0.63 -1.26 -5.12 116.66 114.80 1ivm n ARG 72 Ca 0.57 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 57.14 1ivm n ARG 72 Cb 0.21 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.17 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 -2.82 -3.79 -3.06 5.13 0.00 -1.21 -4.93 120.51 109.83 1ivm n ALA 73 Ca 0.00 -0.45 -0.23 0.00 0.00 0.00 0.00 53.44 52.76 1ivm n ALA 73 Cb 0.00 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 17.98 1ivm n ALA 73 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1ivm n VAL 74 N -2.44 1.52 -1.49 0.00 3.14 -1.09 -5.04 118.33 112.94 1ivm n VAL 74 Ca 0.04 -5.11 -0.38 0.00 -2.96 0.00 0.00 64.34 55.93 1ivm n VAL 74 Cb 0.53 -0.86 -0.16 0.00 -1.06 0.00 0.00 33.84 32.29 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 0.01 -0.01 0.04 6.55 6.94 -1.19 -4.31 115.26 123.30 1ivm n ASN 75 Ca 0.28 0.06 0.12 0.00 -0.02 0.00 0.00 54.58 55.02 1ivm n ASN 75 Cb 0.52 -0.85 0.14 0.00 -2.36 0.00 0.00 39.78 37.23 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 9.63 3.17 -0.01 -2.53 0.00 0.47 -3.75 120.51 127.48 1ivm n ALA 76 Ca 0.66 -0.31 -0.12 0.00 0.00 0.00 0.00 53.44 53.67 1ivm n ALA 76 Cb 0.05 -1.10 -0.14 0.00 0.00 0.00 0.00 19.45 18.26 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 1.65 0.10 3.27 0.00 0.00 -1.25 -4.93 105.19 104.03 1ivm n GLY 78 Ca -0.19 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.15 0.08 0.02 -0.61 -0.00 -1.26 -4.99 121.20 111.29 1ivm s ILE 79 Ca 0.09 -0.65 -0.30 0.00 -0.00 0.00 0.00 60.65 59.79 1ivm s ILE 79 Cb -0.01 -1.00 -0.05 0.00 -0.00 0.00 0.00 42.46 41.39 1ivm s ILE 79 CO 0.30 -0.36 1.31 0.21 -0.00 0.00 0.00 174.94 176.40 1ivm s ASN 80 N -2.20 6.95 0.37 4.36 3.84 -1.26 0.66 114.94 127.66 1ivm s ASN 80 Ca -0.03 2.06 0.16 0.00 0.21 0.00 0.00 52.86 55.25 1ivm s ASN 80 Cb -0.00 -2.57 1.04 0.00 -0.55 0.00 0.00 41.25 39.17 1ivm s ASN 80 CO -0.05 -0.62 1.74 0.00 -2.79 0.00 0.00 177.10 175.39 1ivm h SER 82 N 0.44 0.43 -0.07 0.00 4.64 -1.89 0.40 113.55 117.50 1ivm h SER 82 Ca 0.63 0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.98 1ivm h SER 82 Cb 1.48 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1ivm h SER 82 CO -0.39 0.26 0.09 0.00 -0.87 0.00 0.00 176.83 175.93 1ivm h ALA 83 N 1.68 1.54 -0.57 5.18 0.00 0.18 0.98 119.26 128.24 1ivm h ALA 83 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1ivm h ALA 83 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ivm h ALA 83 CO -0.09 -0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.32 1ivm n LEU 84 N -3.66 3.16 -0.29 0.00 4.77 0.14 -3.79 117.00 117.33 1ivm n LEU 84 Ca -0.01 -1.56 0.08 0.00 -0.03 0.00 0.00 56.01 54.49 1ivm n LEU 84 Cb 0.19 -0.38 0.15 0.00 -2.33 0.00 0.00 43.42 41.05 1ivm n LEU 84 CO 0.25 0.78 0.47 -0.11 -1.33 0.00 0.00 177.39 177.46 1ivm n LEU 85 N 1.24 2.28 0.00 2.23 0.00 0.34 -4.58 117.00 118.50 1ivm n LEU 85 Ca 0.20 -3.18 0.00 0.00 0.00 0.00 0.00 56.01 53.02 1ivm n LEU 85 Cb 0.51 -0.42 0.00 0.00 0.00 0.00 0.00 43.42 43.50 1ivm n LEU 85 CO 0.14 0.89 0.00 0.00 0.00 0.00 0.00 177.39 178.41 1ivm n GLN 86 N -1.21 1.55 0.00 1.96 6.02 -1.13 -5.04 117.38 119.54 1ivm n GLN 86 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1ivm n GLN 86 Cb 0.67 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.93 1ivm n GLN 86 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1ivm n ASP 87 N -1.58 0.00 -4.61 1.08 5.75 -1.26 -4.88 116.55 111.05 1ivm n ASP 87 Ca 0.00 0.15 -0.40 0.00 -0.01 0.00 0.00 54.79 54.53 1ivm n ASP 87 Cb 0.00 -0.31 0.02 0.00 -1.03 0.00 0.00 41.12 39.80 1ivm n ASP 87 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1ivm n ASP 88 N -1.80 1.08 -0.25 -1.12 8.00 -1.26 -4.78 116.55 116.43 1ivm n ASP 88 Ca 0.00 0.97 0.08 0.00 0.71 0.00 0.00 54.79 56.55 1ivm n ASP 88 Cb 0.00 -1.36 0.37 0.00 -0.02 0.00 0.00 41.12 40.11 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 -0.81 0.12 -0.41 0.53 -5.35 -1.26 -4.09 119.36 108.09 1ivm n ILE 89 Ca 0.10 -0.16 0.33 0.00 -0.27 0.00 0.00 62.75 62.75 1ivm n ILE 89 Cb 0.41 0.02 0.61 0.00 -1.74 0.00 0.00 39.64 38.94 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 0.92 0.20 -0.10 7.28 1.03 -1.95 1.77 112.91 122.07 1ivm h THR 90 Ca 0.00 -0.05 -0.24 0.00 -0.01 0.00 0.00 66.41 66.11 1ivm h THR 90 Cb 0.20 0.03 0.01 0.00 -1.07 0.00 0.00 68.15 67.33 1ivm h THR 90 CO 0.00 0.03 -0.88 0.00 -0.01 0.00 0.00 175.52 174.66 1ivm h ALA 91 N 1.64 0.25 -0.68 0.00 0.00 -1.81 0.16 119.26 118.82 1ivm h ALA 91 Ca 0.78 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1ivm h ALA 91 Cb 2.31 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 20.08 1ivm h ALA 91 CO -0.43 0.69 0.29 0.00 0.00 0.00 0.00 179.25 179.81 1ivm h ALA 92 N 0.51 1.24 0.06 0.00 0.00 0.21 0.65 119.26 121.93 1ivm h ALA 92 Ca -0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ivm h ALA 92 Cb 1.51 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ivm h ALA 92 CO 0.18 0.57 -0.03 0.82 0.00 0.00 0.00 179.25 180.79 1ivm h ILE 93 N 0.97 1.25 -0.64 0.00 2.04 -0.09 0.38 117.51 121.41 1ivm h ILE 93 Ca 0.23 -1.49 0.08 0.00 1.00 0.00 0.00 64.86 64.68 1ivm h ILE 93 Cb 0.15 2.17 -0.06 0.00 -0.74 0.00 0.00 36.82 38.34 1ivm h ILE 93 CO -0.02 0.35 0.32 -0.61 0.00 0.00 0.00 178.15 178.18 1ivm h GLN 94 N -0.80 0.55 -0.09 2.37 4.15 -0.52 0.24 115.11 121.02 1ivm h GLN 94 Ca -0.01 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 1ivm h GLN 94 Cb 0.63 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.20 1ivm h GLN 94 CO 0.01 0.37 -0.12 0.00 -1.93 0.00 0.00 178.83 177.16 1ivm h ALA 96 N 0.55 1.03 -0.12 0.00 0.00 0.48 1.69 119.26 122.89 1ivm h ALA 96 Ca 0.01 0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1ivm h ALA 96 Cb 0.66 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1ivm h ALA 96 CO 0.03 -0.36 -0.54 1.57 0.00 0.00 0.00 179.25 179.95 1ivm h LYS 97 N 0.26 0.57 0.00 0.00 2.10 -0.45 0.12 116.57 119.17 1ivm h LYS 97 Ca 0.45 -0.46 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 1ivm h LYS 97 Cb 0.80 0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 32.22 1ivm h LYS 97 CO -0.55 1.08 -0.03 -0.09 -2.00 0.00 0.00 179.45 177.86 1ivm h ARG 98 N 0.20 0.00 0.00 0.07 9.65 0.23 0.70 114.38 125.22 1ivm h ARG 98 Ca -0.03 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.81 1ivm h ARG 98 Cb 1.18 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.75 1ivm h ARG 98 CO 0.11 0.03 -0.54 0.28 2.80 0.00 0.00 179.97 182.65 1ivm h VAL 99 N 0.00 0.22 -0.08 0.20 2.07 0.26 -3.36 116.25 115.56 1ivm h VAL 99 Ca -0.00 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.29 1ivm h VAL 99 Cb 0.15 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1ivm h VAL 99 CO 0.00 0.07 0.10 0.58 0.02 0.00 0.00 177.57 178.35 1ivm h VAL 100 N -1.00 0.45 0.00 2.57 2.07 -0.61 0.14 116.25 119.87 1ivm h VAL 100 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1ivm h VAL 100 Cb 0.59 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1ivm h VAL 100 CO -0.04 0.00 0.09 0.03 0.02 0.00 0.00 177.57 177.67 1ivm h ARG 101 N 0.00 0.00 -7.73 1.57 3.08 0.28 -3.35 114.38 108.22 1ivm h ARG 101 Ca 0.04 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.64 1ivm h ARG 101 Cb 0.24 0.00 0.15 0.00 0.08 0.00 0.00 29.97 30.44 1ivm h ARG 101 CO -0.00 0.00 0.39 -0.51 -1.07 0.00 0.00 179.97 178.78 1ivm s ASP 102 N -4.25 3.31 0.00 7.04 1.11 0.49 -4.93 116.67 119.44 1ivm s ASP 102 Ca -0.03 0.20 0.20 0.00 0.18 0.00 0.00 52.55 53.10 1ivm s ASP 102 Cb 0.08 -0.30 1.18 0.00 1.07 0.00 0.00 42.92 44.95 1ivm s ASP 102 CO 0.25 -2.60 1.61 -0.81 1.18 0.00 0.00 175.17 174.80 1ivm n PRO 103 N -3.64 0.75 0.19 8.23 -0.04 -1.26 -3.60 135.00 135.63 1ivm n PRO 103 Ca 0.15 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.53 1ivm n PRO 103 Cb 0.60 -1.41 -0.04 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.52 0.00 0.54 1.08 -1.85 -3.50 115.11 110.86 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 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1ivm h GLN 104 CO 0.00 -0.35 0.00 0.41 -0.95 0.00 0.00 178.83 177.94 1ivm n GLY 105 N 0.11 -2.46 0.55 3.46 0.00 -1.24 -4.24 105.19 101.37 1ivm n GLY 105 Ca -0.07 -1.46 0.34 0.00 0.00 0.00 0.00 46.02 44.82 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 0.13 -0.97 -0.61 1.08 -1.95 0.18 117.51 115.37 1ivm h ILE 106 Ca 0.00 0.00 0.39 0.00 -0.39 0.00 0.00 64.86 64.86 1ivm h ILE 106 Cb 0.00 0.19 -0.16 0.00 -3.07 0.00 0.00 36.82 33.78 1ivm h ILE 106 CO 0.00 0.00 0.54 -1.14 -0.69 0.00 0.00 178.15 176.86 1ivm n ARG 107 N -3.63 -0.05 -0.40 2.37 0.63 -1.26 0.20 116.66 114.52 1ivm n ARG 107 Ca 0.25 1.25 0.35 0.00 -0.92 0.00 0.00 57.85 58.78 1ivm n ARG 107 Cb 1.43 -2.27 0.62 0.00 0.45 0.00 0.00 32.46 32.69 1ivm n ARG 107 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ivm h ALA 108 N 1.77 2.49 -1.01 5.13 0.00 -0.84 0.37 119.26 127.19 1ivm h ALA 108 Ca 0.78 0.18 -0.77 0.00 0.00 0.00 0.00 54.91 55.10 1ivm h ALA 108 Cb 2.15 0.25 -0.19 0.00 0.00 0.00 0.00 17.79 20.00 1ivm h ALA 108 CO -0.66 -1.19 1.75 0.91 0.00 0.00 0.00 179.25 180.06 1ivm n TRP 109 N -4.93 2.65 -0.36 0.00 8.01 0.53 -4.74 117.44 118.60 1ivm n TRP 109 Ca 0.38 -2.70 0.37 0.00 -1.31 0.00 0.00 57.50 54.23 1ivm n TRP 109 Cb 1.37 -1.58 0.67 0.00 -2.01 0.00 0.00 31.31 29.76 1ivm n TRP 109 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.69 176.44 1ivm h VAL 110 N 2.70 0.13 -0.70 -0.99 3.04 -0.44 0.71 116.25 120.70 1ivm h VAL 110 Ca 0.56 0.00 0.15 0.00 -1.01 0.00 0.00 66.70 66.40 1ivm h VAL 110 Cb 0.38 0.16 -0.12 0.00 -2.01 0.00 0.00 31.29 29.70 1ivm h VAL 110 CO 1.39 0.00 0.01 0.00 -1.01 0.00 0.00 177.57 177.96 1ivm h ALA 111 N 0.98 0.72 -0.31 3.17 0.00 -1.85 1.48 119.26 123.46 1ivm h ALA 111 Ca 0.62 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.73 1ivm h ALA 111 Cb 2.86 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 21.01 1ivm h ALA 111 CO -0.01 -0.41 0.12 2.35 0.00 0.00 0.00 179.25 181.31 1ivm h TRP 112 N 0.12 0.42 0.00 0.00 7.01 0.08 0.23 115.95 123.80 1ivm h TRP 112 Ca 0.38 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.37 1ivm h TRP 112 Cb 0.65 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.57 1ivm h TRP 112 CO -0.40 0.33 0.00 -0.09 -2.79 0.00 0.00 178.44 175.50 1ivm h ARG 113 N 0.43 0.00 -0.13 2.65 1.12 0.20 0.91 114.38 119.56 1ivm h ARG 113 Ca 0.11 0.00 -0.14 0.00 -1.11 0.00 0.00 59.98 58.84 1ivm h ARG 113 Cb 0.09 0.00 -0.19 0.00 -0.01 0.00 0.00 29.97 29.86 1ivm h ARG 113 CO -0.01 0.00 -0.73 0.00 -3.11 0.00 0.00 179.97 176.12 1ivm n ALA 114 N -1.83 3.43 0.00 2.80 0.00 0.71 -4.37 120.51 121.26 1ivm n ALA 114 Ca -0.00 -3.08 0.00 0.00 0.00 0.00 0.00 53.44 50.35 1ivm n ALA 114 Cb 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.60 -0.71 -0.08 0.00 -0.00 -0.52 -4.96 115.22 108.35 1ivm n HIS 115 Ca 0.18 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.24 1ivm n HIS 115 Cb 0.86 0.28 -0.06 0.00 -0.12 0.00 0.00 29.99 30.95 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 -4.55 1.93 0.09 0.00 3.00 -0.91 -3.33 117.38 113.62 1ivm n GLN 117 Ca -0.18 -1.21 0.00 0.00 -0.01 0.00 0.00 57.00 55.60 1ivm n GLN 117 Cb 0.44 -2.24 0.00 0.00 0.00 0.00 0.00 30.24 28.44 1ivm n GLN 117 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1ivm n ASN 118 N 3.55 -0.86 -2.35 1.08 2.85 -1.26 -4.77 115.26 113.50 1ivm n ASN 118 Ca 0.41 0.32 -0.04 0.00 -0.11 0.00 0.00 54.58 55.16 1ivm n ASN 118 Cb 0.31 0.97 -0.01 0.00 1.24 0.00 0.00 39.78 42.30 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 -2.96 1.81 -2.99 1.20 0.63 -1.21 -5.08 116.66 108.06 1ivm n ARG 119 Ca 0.00 -0.49 -0.44 0.00 -0.92 0.00 0.00 57.85 56.00 1ivm n ARG 119 Cb 0.00 0.13 -0.04 0.00 0.45 0.00 0.00 32.46 33.00 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 -1.37 6.28 -0.04 6.15 2.15 -1.26 -4.83 116.67 123.74 1ivm s ASP 120 Ca 0.00 -1.42 0.12 0.00 0.43 0.00 0.00 52.55 51.69 1ivm s ASP 120 Cb -0.00 -2.36 0.43 0.00 -0.30 0.00 0.00 42.92 40.69 1ivm s ASP 120 CO 0.00 -1.21 1.32 -0.11 -0.17 0.00 0.00 175.17 174.99 1ivm n LEU 121 N 6.81 2.89 0.17 -1.34 -0.00 -1.26 -3.91 117.00 120.36 1ivm n LEU 121 Ca -0.01 -1.45 0.04 0.00 -0.00 0.00 0.00 56.01 54.58 1ivm n LEU 121 Cb 0.45 -0.40 0.22 0.00 -0.00 0.00 0.00 43.42 43.69 1ivm n LEU 121 CO 0.58 0.57 0.59 0.28 -0.00 0.00 0.00 177.39 179.41 1ivm h SER 122 N 2.61 0.00 0.21 1.96 0.02 -1.92 -2.80 113.55 113.63 1ivm h SER 122 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ivm h SER 122 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1ivm h SER 122 CO 0.09 0.46 0.00 -0.61 -1.14 0.00 0.00 176.83 175.63 1ivm h GLN 123 N 0.00 0.00 0.19 3.45 -0.00 -1.84 0.84 115.11 117.75 1ivm h GLN 123 Ca -0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.65 58.34 1ivm h GLN 123 Cb 1.08 0.00 0.02 0.00 0.00 0.00 0.00 27.48 28.59 1ivm h GLN 123 CO 0.06 0.00 -1.35 -0.92 0.00 0.00 0.00 178.83 176.62 1ivm h TYR 124 N 0.00 0.79 0.04 3.99 3.20 -1.80 -3.34 116.97 119.85 1ivm h TYR 124 Ca 0.00 -0.56 -0.32 0.00 3.14 0.00 0.00 58.73 60.99 1ivm h TYR 124 Cb 0.11 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 1ivm h TYR 124 CO 0.00 1.43 -1.85 0.44 -1.64 0.00 0.00 178.16 176.55 1ivm n ILE 125 N -3.66 1.65 -2.46 1.81 -5.35 -0.51 -4.72 119.36 106.13 1ivm n ILE 125 Ca -0.13 -0.75 -0.42 0.00 -0.27 0.00 0.00 62.75 61.18 1ivm n ILE 125 Cb 1.05 -1.22 -0.03 0.00 -1.74 0.00 0.00 39.64 37.71 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 -2.58 3.32 0.00 6.28 6.06 0.28 -3.43 118.95 128.88 1ivm s ARG 126 Ca -0.11 0.29 0.00 0.00 -2.50 0.00 0.00 55.73 53.41 1ivm s ARG 126 Cb 0.07 -4.11 0.00 0.00 0.06 0.00 0.00 34.95 30.97 1ivm s ARG 126 CO 0.80 -1.93 0.00 0.09 -2.50 0.00 0.00 175.30 171.76 1ivm n ASN 127 N 9.34 0.00 0.20 -2.12 4.13 -1.26 -4.70 115.26 120.85 1ivm n ASN 127 Ca 0.10 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.44 1ivm n ASN 127 Cb 0.49 0.00 0.32 0.00 -1.54 0.00 0.00 39.78 39.05 1ivm n ASN 127 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ivm n GLY 129 N 0.50 1.70 0.48 0.00 0.00 -1.26 -5.18 105.19 101.43 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 -0.62 0.00 0.00 0.00 173.32 172.70