#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s9d h ARG 19 N 0.00 0.48 -5.25 0.03 2.43 -1.72 -3.37 114.38 106.98 1s9d h ARG 19 Ca 0.00 -0.12 -0.66 0.00 -0.81 0.00 0.00 59.98 58.39 1s9d h ARG 19 Cb 0.00 -0.06 -0.28 0.00 -0.42 0.00 0.00 29.97 29.21 1s9d h ARG 19 CO 0.00 0.57 -0.77 0.42 -1.51 0.00 0.00 179.97 178.68 1s9d s ILE 20 N -4.82 2.95 -0.02 1.20 -1.09 -0.48 -0.74 121.20 118.20 1s9d s ILE 20 Ca -0.07 -0.68 -0.01 0.00 -2.23 0.00 0.00 60.65 57.65 1s9d s ILE 20 Cb 0.15 -2.25 -0.04 0.00 -1.58 0.00 0.00 42.46 38.74 1s9d s ILE 20 CO 0.77 0.51 0.10 -0.76 -1.23 0.00 0.00 174.94 174.33 1s9d s LEU 21 N 0.59 4.00 -0.15 2.97 1.43 -0.28 -1.56 118.68 125.68 1s9d s LEU 21 Ca -0.08 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1s9d s LEU 21 Cb -0.16 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.80 1s9d s LEU 21 CO 0.03 0.29 -0.20 -0.32 0.23 0.00 0.00 176.35 176.38 1s9d s MET 22 N -1.65 2.91 0.14 1.70 -2.45 -0.16 0.03 119.30 119.82 1s9d s MET 22 Ca 0.22 -0.81 0.07 0.00 -1.25 0.00 0.00 55.69 53.92 1s9d s MET 22 Cb -0.12 -2.43 -0.04 0.00 1.25 0.00 0.00 34.83 33.49 1s9d s MET 22 CO 0.13 -0.11 -0.15 0.08 1.05 0.00 0.00 175.02 176.03 1s9d s VAL 23 N 1.05 1.47 0.00 10.11 1.01 0.65 -0.73 120.40 133.96 1s9d s VAL 23 Ca -0.02 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.12 1s9d s VAL 23 Cb -0.14 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1s9d s VAL 23 CO -0.07 -0.44 0.00 0.61 0.00 0.00 0.00 175.10 175.20 1s9d n GLY 24 N 0.32 2.16 3.56 4.51 0.00 -1.26 -0.67 105.19 113.82 1s9d n GLY 24 Ca -0.14 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 1s9d n GLY 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s9d n LEU 25 N 0.00 2.43 -4.54 0.99 4.77 -1.26 -4.84 117.00 114.54 1s9d n LEU 25 Ca 0.00 0.57 -0.50 0.00 -0.03 0.00 0.00 56.01 56.05 1s9d n LEU 25 Cb 0.00 -1.35 -0.04 0.00 -2.33 0.00 0.00 43.42 39.70 1s9d n LEU 25 CO 0.00 -2.50 0.58 0.47 -1.33 0.00 0.00 177.39 174.62 1s9d n ASP 26 N -1.70 0.77 0.00 -1.43 8.00 -1.26 -2.25 116.55 118.68 1s9d n ASP 26 Ca 0.11 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.76 1s9d n ASP 26 Cb 0.50 -1.14 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 1s9d n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s9d n ALA 27 N 1.20 0.00 0.04 2.24 0.00 -1.26 -4.93 120.51 117.79 1s9d n ALA 27 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.53 1s9d n ALA 27 Cb 0.23 -0.12 0.10 0.00 0.00 0.00 0.00 19.45 19.65 1s9d n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s9d h ALA 28 N 0.00 0.80 0.00 0.00 0.00 -1.78 -3.45 119.26 114.82 1s9d h ALA 28 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1s9d h ALA 28 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1s9d h ALA 28 CO 0.00 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.35 1s9d n GLY 29 N 0.19 1.56 0.12 0.00 0.00 -1.26 -4.24 105.19 101.56 1s9d n GLY 29 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1s9d n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s9d h LYS 30 N 0.00 0.32 -0.65 1.61 1.57 -1.90 -1.21 116.57 116.31 1s9d h LYS 30 Ca 0.00 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1s9d h LYS 30 Cb 0.00 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1s9d h LYS 30 CO 0.00 0.37 0.21 1.15 -0.57 0.00 0.00 179.45 180.61 1s9d h THR 31 N 0.20 1.25 -0.54 -0.16 2.02 -1.99 -1.90 112.91 111.78 1s9d h THR 31 Ca 0.07 -0.84 0.08 0.00 0.77 0.00 0.00 66.41 66.48 1s9d h THR 31 Cb 0.16 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 67.08 1s9d h THR 31 CO -0.01 0.33 0.20 0.74 0.37 0.00 0.00 175.52 177.15 1s9d h THR 32 N 0.94 0.82 -0.56 3.16 2.02 -1.91 -0.94 112.91 116.44 1s9d h THR 32 Ca 0.21 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 67.22 1s9d h THR 32 Cb 0.29 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1s9d h THR 32 CO -0.01 0.07 0.21 0.40 0.37 0.00 0.00 175.52 176.56 1s9d h ILE 33 N 0.39 1.23 -0.44 3.11 2.04 -0.87 -2.74 117.51 120.23 1s9d h ILE 33 Ca 0.26 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 1s9d h ILE 33 Cb 0.29 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1s9d h ILE 33 CO -0.26 0.28 0.10 -0.07 0.00 0.00 0.00 178.15 178.20 1s9d h LEU 34 N 0.77 0.62 -1.62 1.44 3.38 -0.96 0.47 115.31 119.42 1s9d h LEU 34 Ca 0.18 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1s9d h LEU 34 Cb 0.23 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1s9d h LEU 34 CO -0.01 0.62 -0.21 1.88 0.09 0.00 0.00 178.44 180.81 1s9d h TYR 35 N 0.65 0.00 -0.89 1.13 0.05 -0.90 0.31 116.97 117.32 1s9d h TYR 35 Ca 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 1s9d h TYR 35 Cb 0.26 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.96 1s9d h TYR 35 CO 0.01 0.21 0.51 0.87 -1.05 0.00 0.00 178.16 178.72 1s9d h LYS 36 N 0.00 1.22 0.00 4.88 1.79 -0.64 -3.15 116.57 120.66 1s9d h LYS 36 Ca -0.00 -0.12 -0.11 0.00 -2.18 0.00 0.00 60.65 58.23 1s9d h LYS 36 Cb 0.43 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 1s9d h LYS 36 CO 0.03 0.87 -0.53 -0.07 -1.08 0.00 0.00 179.45 178.66 1s9d h LEU 37 N 1.23 0.00 0.00 2.94 3.38 -0.36 -3.52 115.31 118.98 1s9d h LEU 37 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1s9d h LEU 37 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1s9d h LEU 37 CO -0.06 0.53 0.00 0.29 0.09 0.00 0.00 178.44 179.30 1s9d n LYS 38 N -3.26 0.67 0.00 1.13 5.02 0.89 -4.91 118.16 117.71 1s9d n LYS 38 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1s9d n LYS 38 Cb 0.73 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.74 1s9d n LYS 38 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1s9d n THR 45 N -0.68 0.00 -4.68 -0.18 -1.04 -1.26 -5.08 114.28 101.37 1s9d n THR 45 Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 1s9d n THR 45 Cb 0.00 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.37 1s9d n THR 45 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1s9d s ILE 46 N -0.16 1.47 0.20 12.58 -4.36 -1.26 -5.11 121.20 124.56 1s9d s ILE 46 Ca 0.00 -1.00 -0.31 0.00 -0.26 0.00 0.00 60.65 59.09 1s9d s ILE 46 Cb 0.00 -1.27 -0.09 0.00 1.25 0.00 0.00 42.46 42.35 1s9d s ILE 46 CO 0.00 0.25 1.43 -2.16 0.24 0.00 0.00 174.94 174.70 1s9d s PRO 47 N -0.88 4.29 -0.04 0.37 0.04 -1.26 -5.01 135.00 132.52 1s9d s PRO 47 Ca 0.06 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.33 1s9d s PRO 47 Cb -0.08 -3.16 0.03 0.00 0.04 0.00 0.00 34.50 31.33 1s9d s PRO 47 CO 0.01 -0.43 -0.01 0.99 0.04 0.00 0.00 177.00 177.60 1s9d s THR 48 N 0.45 0.26 0.09 1.26 2.01 -1.26 -5.13 115.64 113.33 1s9d s THR 48 Ca 0.62 0.05 -0.31 0.00 0.31 0.00 0.00 61.69 62.36 1s9d s THR 48 Cb -0.40 -0.35 -0.08 0.00 0.01 0.00 0.00 72.50 71.68 1s9d s THR 48 CO 0.37 0.17 1.41 -0.63 -0.69 0.00 0.00 174.62 175.26 1s9d s ILE 49 N 1.09 3.35 -4.49 1.82 -1.09 -1.26 -4.81 121.20 115.81 1s9d s ILE 49 Ca -0.09 0.93 0.00 0.00 -2.23 0.00 0.00 60.65 59.26 1s9d s ILE 49 Cb -0.14 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 1s9d s ILE 49 CO -0.02 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.36 1s9d n GLY 50 N 3.56 0.92 3.79 6.18 0.00 -1.26 -5.10 105.19 113.27 1s9d n GLY 50 Ca 0.12 -1.90 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 1s9d n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s9d s PHE 51 N -2.76 2.87 -1.26 1.61 0.08 -1.26 -4.93 117.98 112.33 1s9d s PHE 51 Ca 0.00 1.56 -0.16 0.00 0.12 0.00 0.00 56.93 58.45 1s9d s PHE 51 Cb 0.00 -3.16 0.11 0.00 -0.57 0.00 0.00 43.02 39.40 1s9d s PHE 51 CO 0.00 -1.12 1.61 1.21 -0.10 0.00 0.00 175.22 176.82 1s9d s ASN 52 N -1.88 6.93 0.04 1.36 2.47 -1.26 -4.97 114.94 117.63 1s9d s ASN 52 Ca 0.69 -2.67 -0.30 0.00 0.42 0.00 0.00 52.86 51.00 1s9d s ASN 52 Cb -0.19 -2.51 -0.08 0.00 -1.45 0.00 0.00 41.25 37.02 1s9d s ASN 52 CO 0.23 -1.00 1.64 -0.69 -3.72 0.00 0.00 177.10 173.56 1s9d s VAL 53 N 3.14 3.21 -0.19 -5.21 1.01 -1.26 -4.99 120.40 116.10 1s9d s VAL 53 Ca 0.49 0.57 0.01 0.00 0.00 0.00 0.00 61.98 63.06 1s9d s VAL 53 Cb 0.01 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 33.05 1s9d s VAL 53 CO 0.05 -0.01 -0.17 -1.61 0.00 0.00 0.00 175.10 173.36 1s9d s GLU 54 N 2.94 2.68 0.01 2.72 2.02 -1.26 -5.08 118.70 122.73 1s9d s GLU 54 Ca 0.73 -0.91 -0.16 0.00 0.02 0.00 0.00 54.97 54.65 1s9d s GLU 54 Cb -0.38 -2.58 0.03 0.00 0.10 0.00 0.00 34.13 31.30 1s9d s GLU 54 CO 0.32 -0.31 0.34 -0.08 0.02 0.00 0.00 175.26 175.55 1s9d s THR 55 N 1.28 0.06 0.04 3.63 -1.32 -1.26 -1.38 115.64 116.69 1s9d s THR 55 Ca 0.02 -0.50 -0.14 0.00 -1.21 0.00 0.00 61.69 59.85 1s9d s THR 55 Cb -0.15 -0.78 0.02 0.00 -1.51 0.00 0.00 72.50 70.09 1s9d s THR 55 CO -0.11 -0.28 0.32 0.54 -2.21 0.00 0.00 174.62 172.88 1s9d s VAL 56 N -1.83 0.08 -0.24 5.08 0.11 -0.43 -5.01 120.40 118.17 1s9d s VAL 56 Ca -0.10 -0.64 -0.14 0.00 -2.93 0.00 0.00 61.98 58.18 1s9d s VAL 56 Cb -0.03 -0.91 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1s9d s VAL 56 CO 0.02 -0.35 0.30 -1.61 -3.33 0.00 0.00 175.10 170.13 1s9d s GLU 57 N -2.44 4.08 -0.17 1.54 0.41 -1.26 -0.77 118.70 120.10 1s9d s GLU 57 Ca -0.06 -0.03 0.00 0.00 -0.41 0.00 0.00 54.97 54.48 1s9d s GLU 57 Cb -0.01 -3.58 0.04 0.00 -1.78 0.00 0.00 34.13 28.79 1s9d s GLU 57 CO -0.03 -0.08 -0.09 -0.47 -0.49 0.00 0.00 175.26 174.10 1s9d s TYR 58 N 1.47 1.97 -1.23 1.61 5.04 -0.33 -4.75 117.35 121.13 1s9d s TYR 58 Ca 0.14 -1.21 -0.06 0.00 -2.44 0.00 0.00 57.07 53.49 1s9d s TYR 58 Cb -0.15 -1.45 0.01 0.00 0.35 0.00 0.00 41.96 40.72 1s9d s TYR 58 CO 0.08 -0.65 1.07 1.17 -1.34 0.00 0.00 175.55 175.87 1s9d n LYS 59 N 4.81 -7.16 -2.03 4.97 4.81 -1.26 -2.03 118.16 120.26 1s9d n LYS 59 Ca -0.14 0.78 -0.19 0.00 -0.87 0.00 0.00 58.31 57.90 1s9d n LYS 59 Cb 0.48 -5.66 -0.04 0.00 0.02 0.00 0.00 35.03 29.83 1s9d n LYS 59 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1s9d n ASN 60 N -2.79 -5.33 -4.00 3.14 5.15 -1.26 -5.01 115.26 105.16 1s9d n ASN 60 Ca -0.06 0.17 -0.23 0.00 -0.60 0.00 0.00 54.58 53.86 1s9d n ASN 60 Cb 0.58 -4.41 -0.16 0.00 -0.53 0.00 0.00 39.78 35.26 1s9d n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1s9d s ILE 61 N -2.83 0.95 0.06 -1.44 1.01 -0.86 -5.12 121.20 112.97 1s9d s ILE 61 Ca 0.00 -0.40 -0.30 0.00 0.00 0.00 0.00 60.65 59.95 1s9d s ILE 61 Cb 0.00 -0.87 -0.05 0.00 0.01 0.00 0.00 42.46 41.55 1s9d s ILE 61 CO 0.00 0.30 1.04 -0.94 0.00 0.00 0.00 174.94 175.35 1s9d s SER 62 N 0.50 7.32 -0.14 3.58 1.04 -1.26 -1.19 113.70 123.55 1s9d s SER 62 Ca -0.10 1.83 0.01 0.00 0.48 0.00 0.00 55.95 58.17 1s9d s SER 62 Cb -0.13 -2.58 -0.00 0.00 0.10 0.00 0.00 66.02 63.41 1s9d s SER 62 CO 0.02 -0.26 -0.16 -0.36 0.98 0.00 0.00 173.24 173.46 1s9d s PHE 63 N 0.62 2.76 -0.03 5.02 0.08 0.05 -1.38 117.98 125.10 1s9d s PHE 63 Ca 0.52 -0.97 0.03 0.00 0.12 0.00 0.00 56.93 56.63 1s9d s PHE 63 Cb -0.25 -1.86 0.00 0.00 -0.57 0.00 0.00 43.02 40.35 1s9d s PHE 63 CO 0.30 -0.42 -0.10 0.99 -0.10 0.00 0.00 175.22 175.89 1s9d s THR 64 N 0.66 0.85 0.04 0.64 2.01 -0.60 -1.31 115.64 117.93 1s9d s THR 64 Ca -0.08 -0.39 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 1s9d s THR 64 Cb -0.16 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.55 1s9d s THR 64 CO 0.02 0.27 1.15 -0.69 -0.69 0.00 0.00 174.62 174.68 1s9d s VAL 65 N 0.23 4.23 -0.32 3.82 1.01 -0.48 -0.99 120.40 127.91 1s9d s VAL 65 Ca -0.04 1.60 -0.06 0.00 0.00 0.00 0.00 61.98 63.47 1s9d s VAL 65 Cb -0.09 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.29 1s9d s VAL 65 CO 0.01 0.11 0.08 0.86 0.00 0.00 0.00 175.10 176.17 1s9d s TRP 66 N 1.14 3.20 -0.41 5.22 -0.11 0.09 -4.59 118.94 123.49 1s9d s TRP 66 Ca 0.57 -1.28 -0.29 0.00 1.22 0.00 0.00 56.10 56.32 1s9d s TRP 66 Cb -0.27 -2.25 0.02 0.00 -1.50 0.00 0.00 33.47 29.47 1s9d s TRP 66 CO 0.28 -0.68 1.12 0.34 -4.62 0.00 0.00 176.95 173.40 1s9d s ASP 67 N 1.43 6.75 -0.03 5.86 -1.08 -1.26 -4.57 116.67 123.78 1s9d s ASP 67 Ca -0.00 0.72 0.14 0.00 -0.52 0.00 0.00 52.55 52.89 1s9d s ASP 67 Cb -0.18 -2.55 0.45 0.00 -1.46 0.00 0.00 42.92 39.18 1s9d s ASP 67 CO 0.02 -1.10 1.35 1.33 0.52 0.00 0.00 175.17 177.29 1s9d n VAL 68 N 6.44 0.86 0.31 1.11 0.24 -1.26 -4.59 118.33 121.43 1s9d n VAL 68 Ca 0.12 -0.70 0.11 0.00 -2.04 0.00 0.00 64.34 61.84 1s9d n VAL 68 Cb 0.48 0.20 0.52 0.00 -1.47 0.00 0.00 33.84 33.57 1s9d n VAL 68 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s9d n GLY 69 N 1.12 -1.12 0.22 7.63 0.00 -1.26 -4.84 105.19 106.94 1s9d n GLY 69 Ca 0.17 0.12 -0.02 0.00 0.00 0.00 0.00 46.02 46.29 1s9d n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s9d n GLY 70 N -0.47 -1.80 3.76 -0.02 0.00 -1.26 -5.07 105.19 100.33 1s9d n GLY 70 Ca 0.01 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 1s9d n GLY 70 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s9d s GLN 71 N -3.16 2.06 0.39 1.61 -0.21 -1.26 -4.96 119.66 114.13 1s9d s GLN 71 Ca 0.04 1.00 0.09 0.00 0.02 0.00 0.00 55.36 56.51 1s9d s GLN 71 Cb -0.00 -1.89 0.85 0.00 1.00 0.00 0.00 33.01 32.97 1s9d s GLN 71 CO 0.03 -1.73 1.96 -0.44 -2.12 0.00 0.00 175.29 172.99 1s9d h ASP 72 N -1.18 0.56 -0.07 5.90 5.19 -1.97 -3.05 116.42 121.80 1s9d h ASP 72 Ca -0.45 0.01 0.02 0.00 -0.62 0.00 0.00 57.03 55.98 1s9d h ASP 72 Cb 1.25 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.64 1s9d h ASP 72 CO 0.54 0.35 0.07 0.11 -3.12 0.00 0.00 179.24 177.19 1s9d h LYS 73 N 0.63 0.00 -0.03 3.56 1.57 -2.05 -2.16 116.57 118.10 1s9d h LYS 73 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1s9d h LYS 73 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1s9d h LYS 73 CO -0.10 0.00 -0.14 0.44 -0.57 0.00 0.00 179.45 179.08 1s9d n ILE 74 N -3.86 0.00 -0.17 1.86 -6.64 -1.15 -4.40 119.36 105.01 1s9d n ILE 74 Ca -0.01 -0.42 0.05 0.00 -1.77 0.00 0.00 62.75 60.60 1s9d n ILE 74 Cb 0.17 1.38 0.34 0.00 -1.44 0.00 0.00 39.64 40.09 1s9d n ILE 74 CO 0.00 0.00 0.00 0.03 -1.77 0.00 0.00 176.55 174.81 1s9d h ARG 75 N 3.94 0.76 -0.58 6.28 3.08 -1.54 -2.42 114.38 123.90 1s9d h ARG 75 Ca 0.00 -0.05 0.17 0.00 0.07 0.00 0.00 59.98 60.17 1s9d h ARG 75 Cb 0.91 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1s9d h ARG 75 CO 0.00 0.50 0.51 -1.35 -1.07 0.00 0.00 179.97 178.56 1s9d h PRO 76 N 0.78 0.00 0.00 0.04 0.11 -1.79 -0.84 132.00 130.30 1s9d h PRO 76 Ca 0.29 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.38 1s9d h PRO 76 Cb 0.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 1s9d h PRO 76 CO -0.09 0.00 -0.09 -0.07 -0.21 0.00 0.00 178.00 177.54 1s9d h LEU 77 N 0.00 0.00 -0.90 2.35 3.38 -1.75 -3.08 115.31 115.30 1s9d h LEU 77 Ca 0.28 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.15 1s9d h LEU 77 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1s9d h LEU 77 CO -0.00 0.09 -0.44 -0.50 0.09 0.00 0.00 178.44 177.68 1s9d h TRP 78 N 0.00 0.00 -0.52 1.13 6.55 -1.29 -3.41 115.95 118.40 1s9d h TRP 78 Ca -0.00 0.00 0.11 0.00 0.95 0.00 0.00 58.89 59.94 1s9d h TRP 78 Cb 0.52 0.00 -0.10 0.00 -0.86 0.00 0.00 29.16 28.73 1s9d h TRP 78 CO 0.00 0.44 -0.09 0.07 -1.05 0.00 0.00 178.44 177.82 1s9d h ARG 79 N 0.00 0.03 0.00 0.49 0.11 -1.70 -0.46 114.38 112.85 1s9d h ARG 79 Ca -0.00 -0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.03 1s9d h ARG 79 Cb 0.94 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.01 1s9d h ARG 79 CO 0.06 0.02 -0.22 1.12 0.10 0.00 0.00 179.97 181.05 1s9d h HIS 80 N 0.03 0.00 0.00 4.08 2.07 -1.87 -2.18 115.15 117.28 1s9d h HIS 80 Ca 0.26 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.76 1s9d h HIS 80 Cb 0.40 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.37 1s9d h HIS 80 CO -0.40 0.22 -0.08 1.88 -3.07 0.00 0.00 177.93 176.48 1s9d h TYR 81 N 0.00 0.00 -0.01 6.12 0.05 -1.38 -2.54 116.97 119.20 1s9d h TYR 81 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1s9d h TYR 81 Cb 0.44 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.18 1s9d h TYR 81 CO 0.00 0.08 -0.28 1.19 -1.05 0.00 0.00 178.16 178.09 1s9d n PHE 82 N -3.76 0.00 -0.23 4.88 3.72 -0.82 -4.35 117.46 116.90 1s9d n PHE 82 Ca -0.02 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.46 1s9d n PHE 82 Cb 0.18 -0.12 0.35 0.00 -0.94 0.00 0.00 39.48 38.94 1s9d n PHE 82 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1s9d h GLN 83 N 1.22 0.75 -0.43 -1.08 4.20 -1.55 -1.10 115.11 117.11 1s9d h GLN 83 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1s9d h GLN 83 Cb 0.52 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1s9d h GLN 83 CO 0.00 0.49 0.00 0.09 -0.67 0.00 0.00 178.83 178.74 1s9d n ASN 84 N -4.50 2.89 -4.66 1.46 3.02 -1.26 -4.92 115.26 107.29 1s9d n ASN 84 Ca 0.13 -1.94 -0.41 0.00 -0.03 0.00 0.00 54.58 52.33 1s9d n ASN 84 Cb 0.30 -0.29 -0.04 0.00 -0.61 0.00 0.00 39.78 39.14 1s9d n ASN 84 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1s9d s THR 85 N -1.43 4.89 -0.06 3.41 2.01 -0.42 -4.45 115.64 119.58 1s9d s THR 85 Ca 0.37 1.54 0.13 0.00 0.31 0.00 0.00 61.69 64.04 1s9d s THR 85 Cb 0.20 -4.10 -0.19 0.00 0.01 0.00 0.00 72.50 68.42 1s9d s THR 85 CO 0.28 0.00 0.30 0.00 -0.69 0.00 0.00 174.62 174.51 1s9d n GLN 86 N 5.49 0.58 -3.92 4.92 6.02 0.08 -4.75 117.38 125.79 1s9d n GLN 86 Ca 0.04 -0.11 -0.10 0.00 -0.01 0.00 0.00 57.00 56.82 1s9d n GLN 86 Cb 0.48 -1.29 -0.11 0.00 1.02 0.00 0.00 30.24 30.35 1s9d n GLN 86 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1s9d s GLY 87 N -3.38 0.14 -0.18 1.08 0.00 -0.92 -1.70 107.32 102.36 1s9d s GLY 87 Ca -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.34 1s9d s GLY 87 CO 0.53 -0.44 -0.10 -2.27 0.00 0.00 0.00 173.10 170.82 1s9d s LEU 88 N -1.34 1.98 -0.20 0.66 2.96 0.45 -1.13 118.68 122.06 1s9d s LEU 88 Ca -0.14 -0.72 -0.20 0.00 -0.22 0.00 0.00 54.13 52.84 1s9d s LEU 88 Cb -0.08 -1.15 -0.03 0.00 0.50 0.00 0.00 46.19 45.42 1s9d s LEU 88 CO 0.00 -0.13 0.59 -0.63 -1.32 0.00 0.00 176.35 174.86 1s9d s ILE 89 N 1.47 5.05 -0.24 6.68 1.01 0.10 -0.79 121.20 134.48 1s9d s ILE 89 Ca 0.01 1.09 -0.06 0.00 0.00 0.00 0.00 60.65 61.69 1s9d s ILE 89 Cb -0.15 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 1s9d s ILE 89 CO -0.09 0.13 0.03 0.12 0.00 0.00 0.00 174.94 175.13 1s9d s PHE 90 N 1.86 3.04 -0.19 3.97 5.36 0.15 -0.26 117.98 131.92 1s9d s PHE 90 Ca 0.27 -0.66 -0.07 0.00 -0.96 0.00 0.00 56.93 55.51 1s9d s PHE 90 Cb -0.16 -2.19 -0.04 0.00 -0.34 0.00 0.00 43.02 40.30 1s9d s PHE 90 CO 0.10 -0.45 0.05 0.08 -1.46 0.00 0.00 175.22 173.54 1s9d s VAL 91 N 1.56 4.57 -0.02 3.12 1.01 0.16 -0.75 120.40 130.04 1s9d s VAL 91 Ca 0.06 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 61.98 1s9d s VAL 91 Cb -0.15 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 1s9d s VAL 91 CO 0.01 0.44 -0.16 0.54 0.00 0.00 0.00 175.10 175.93 1s9d s VAL 92 N 0.62 1.29 -0.56 2.92 0.11 -0.71 -4.24 120.40 119.83 1s9d s VAL 92 Ca 0.02 -0.69 -0.28 0.00 -2.93 0.00 0.00 61.98 58.11 1s9d s VAL 92 Cb -0.13 -1.09 0.01 0.00 -1.53 0.00 0.00 36.38 33.64 1s9d s VAL 92 CO 0.02 0.37 1.53 -0.62 -3.33 0.00 0.00 175.10 173.06 1s9d s ASP 93 N -0.27 5.94 0.39 3.54 -1.08 -1.26 -0.77 116.67 123.16 1s9d s ASP 93 Ca 0.04 0.33 0.28 0.00 -0.52 0.00 0.00 52.55 52.68 1s9d s ASP 93 Cb -0.07 -2.54 1.13 0.00 -1.46 0.00 0.00 42.92 39.98 1s9d s ASP 93 CO -0.00 -1.85 1.83 0.28 0.52 0.00 0.00 175.17 175.95 1s9d h SER 94 N 11.90 0.00 0.38 -0.34 0.02 -1.55 -1.43 113.55 122.53 1s9d h SER 94 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1s9d h SER 94 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1s9d h SER 94 CO 1.18 0.00 -0.07 -3.20 -1.14 0.00 0.00 176.83 173.59 1s9d n ASN 95 N -2.64 0.34 -4.26 3.07 5.15 -1.26 -0.73 115.26 114.94 1s9d n ASN 95 Ca 0.02 -0.52 -0.43 0.00 -0.60 0.00 0.00 54.58 53.05 1s9d n ASN 95 Cb 0.28 -0.11 -0.03 0.00 -0.53 0.00 0.00 39.78 39.38 1s9d n ASN 95 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1s9d s ASP 96 N -2.45 6.67 0.36 1.20 -1.08 -0.54 -4.86 116.67 115.96 1s9d s ASP 96 Ca 0.30 -3.34 0.09 0.00 -0.52 0.00 0.00 52.55 49.09 1s9d s ASP 96 Cb 0.20 -2.10 0.69 0.00 -1.46 0.00 0.00 42.92 40.25 1s9d s ASP 96 CO 0.46 -0.34 1.85 0.03 0.52 0.00 0.00 175.17 177.70 1s9d h ARG 97 N 6.81 0.22 0.00 4.34 3.08 -1.84 -2.98 114.38 124.01 1s9d h ARG 97 Ca 0.14 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 1s9d h ARG 97 Cb 0.91 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 1s9d h ARG 97 CO 0.88 0.44 -0.31 0.93 -1.07 0.00 0.00 179.97 180.83 1s9d h GLU 98 N 0.20 0.00 -0.31 0.04 4.39 -1.98 -3.14 114.58 113.78 1s9d h GLU 98 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1s9d h GLU 98 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1s9d h GLU 98 CO 0.03 0.31 0.00 0.54 -1.16 0.00 0.00 179.01 178.74 1s9d n ARG 99 N -3.40 2.94 0.04 2.33 1.74 -1.17 -4.67 116.66 114.47 1s9d n ARG 99 Ca 0.00 -2.47 -0.04 0.00 -0.77 0.00 0.00 57.85 54.57 1s9d n ARG 99 Cb 0.51 -1.58 0.19 0.00 -1.02 0.00 0.00 32.46 30.56 1s9d n ARG 99 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1s9d h VAL 100 N 1.97 1.29 -0.14 1.55 3.04 -1.47 -1.67 116.25 120.82 1s9d h VAL 100 Ca 0.00 -1.43 -0.14 0.00 -1.01 0.00 0.00 66.70 64.12 1s9d h VAL 100 Cb 1.11 1.53 -0.01 0.00 -2.01 0.00 0.00 31.29 31.91 1s9d h VAL 100 CO 0.12 0.44 -0.53 0.78 -1.01 0.00 0.00 177.57 177.37 1s9d h ASN 101 N 0.34 0.44 0.20 3.17 2.35 -1.83 -0.88 115.58 119.38 1s9d h ASN 101 Ca 0.04 -0.23 -0.10 0.00 -0.55 0.00 0.00 56.30 55.46 1s9d h ASN 101 Cb 0.77 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 1s9d h ASN 101 CO 0.06 0.89 -0.37 -0.08 -1.65 0.00 0.00 177.43 176.28 1s9d h GLU 102 N 0.31 0.24 -0.18 0.81 4.81 -1.80 -1.75 114.58 117.02 1s9d h GLU 102 Ca 0.01 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1s9d h GLU 102 Cb 1.04 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 1s9d h GLU 102 CO 0.09 0.58 -0.02 0.00 -0.73 0.00 0.00 179.01 178.94 1s9d h ALA 103 N 1.41 0.24 -0.54 2.92 0.00 -0.83 -2.21 119.26 120.25 1s9d h ALA 103 Ca 0.02 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.82 1s9d h ALA 103 Cb 0.75 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.38 1s9d h ALA 103 CO 0.06 -0.03 -0.07 -0.09 0.00 0.00 0.00 179.25 179.12 1s9d h ARG 104 N 0.06 0.05 -0.87 0.00 2.43 -0.79 -0.63 114.38 114.63 1s9d h ARG 104 Ca 0.05 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1s9d h ARG 104 Cb 0.42 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 1s9d h ARG 104 CO 0.01 0.04 0.56 0.93 -1.51 0.00 0.00 179.97 180.00 1s9d h GLU 105 N 0.05 1.16 -0.22 0.20 5.08 -1.18 -0.48 114.58 119.19 1s9d h GLU 105 Ca 0.27 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1s9d h GLU 105 Cb 0.42 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1s9d h GLU 105 CO -0.50 0.78 0.05 1.49 -1.00 0.00 0.00 179.01 179.82 1s9d h GLU 106 N 1.19 0.36 -0.59 2.33 4.57 -0.74 -0.71 114.58 120.99 1s9d h GLU 106 Ca 0.32 -0.09 0.11 0.00 -1.18 0.00 0.00 59.36 58.52 1s9d h GLU 106 Cb -0.11 -0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 28.35 1s9d h GLU 106 CO -0.07 0.49 0.10 1.25 -1.18 0.00 0.00 179.01 179.60 1s9d h LEU 107 N 0.17 -0.04 -0.70 1.64 5.85 -0.92 -1.10 115.31 120.21 1s9d h LEU 107 Ca 0.07 0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 1s9d h LEU 107 Cb 0.29 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1s9d h LEU 107 CO 0.00 -0.01 -0.38 0.24 -0.34 0.00 0.00 178.44 177.95 1s9d h MET 108 N 0.23 0.56 -0.41 1.25 2.86 -0.76 0.08 114.93 118.75 1s9d h MET 108 Ca 0.31 -0.27 0.04 0.00 -2.06 0.00 0.00 59.70 57.71 1s9d h MET 108 Cb 0.46 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 1s9d h MET 108 CO -0.41 0.85 0.18 0.00 1.06 0.00 0.00 176.91 178.59 1s9d h ARG 109 N 0.46 0.36 -0.58 1.72 3.08 -0.55 -0.63 114.38 118.24 1s9d h ARG 109 Ca 0.04 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 1s9d h ARG 109 Cb 0.88 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 1s9d h ARG 109 CO 0.08 0.24 0.18 0.52 -1.07 0.00 0.00 179.97 179.91 1s9d h MET 110 N 0.37 0.90 0.00 0.04 2.86 -0.47 -2.61 114.93 116.01 1s9d h MET 110 Ca 0.18 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1s9d h MET 110 Cb 0.12 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1s9d h MET 110 CO -0.15 0.81 0.00 -0.07 1.06 0.00 0.00 176.91 178.56 1s9d h LEU 111 N 0.82 0.00 -0.21 1.22 3.38 -0.48 -2.46 115.31 117.57 1s9d h LEU 111 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1s9d h LEU 111 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1s9d h LEU 111 CO -0.01 0.00 -0.16 0.00 0.09 0.00 0.00 178.44 178.36 1s9d n ALA 112 N -1.84 2.85 -2.15 1.53 0.00 -0.29 -4.75 120.51 115.85 1s9d n ALA 112 Ca 0.01 -0.28 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 1s9d n ALA 112 Cb 0.22 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 1s9d n ALA 112 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1s9d s GLU 113 N -2.60 4.27 0.25 0.00 0.41 -0.93 -4.89 118.70 115.22 1s9d s GLU 113 Ca 0.25 2.06 -0.03 0.00 -0.41 0.00 0.00 54.97 56.83 1s9d s GLU 113 Cb 0.20 -3.51 0.50 0.00 -1.78 0.00 0.00 34.13 29.54 1s9d s GLU 113 CO 0.51 -0.58 1.69 -0.44 -0.49 0.00 0.00 175.26 175.96 1s9d h ASP 114 N 7.70 0.11 0.74 -0.19 5.19 -1.90 -1.28 116.42 126.79 1s9d h ASP 114 Ca -0.40 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 1s9d h ASP 114 Cb 1.19 0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.87 1s9d h ASP 114 CO 0.90 -0.01 0.00 -0.62 -3.12 0.00 0.00 179.24 176.39 1s9d n GLU 115 N -5.11 0.19 -0.57 3.56 -0.58 -1.26 -2.19 120.64 114.68 1s9d n GLU 115 Ca 0.15 0.41 0.08 0.00 -0.42 0.00 0.00 57.16 57.39 1s9d n GLU 115 Cb 0.48 -1.86 0.31 0.00 -0.57 0.00 0.00 31.44 29.80 1s9d n GLU 115 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1s9d n LEU 116 N -2.22 4.46 -0.36 -4.62 4.77 -0.49 -4.68 117.00 113.86 1s9d n LEU 116 Ca 0.02 -2.79 0.10 0.00 -0.03 0.00 0.00 56.01 53.31 1s9d n LEU 116 Cb 0.23 -0.56 0.28 0.00 -2.33 0.00 0.00 43.42 41.04 1s9d n LEU 116 CO 0.20 0.69 1.21 -0.09 -1.33 0.00 0.00 177.39 178.07 1s9d h ARG 117 N 2.84 0.86 -0.22 3.23 2.43 -1.36 -2.50 114.38 119.65 1s9d h ARG 117 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1s9d h ARG 117 Cb 1.52 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 1s9d h ARG 117 CO 0.28 0.57 0.00 -0.25 -1.51 0.00 0.00 179.97 179.05 1s9d n ASP 118 N -4.69 3.04 -4.72 -3.80 8.00 -1.26 -4.99 116.55 108.12 1s9d n ASP 118 Ca 0.21 -1.91 -0.42 0.00 0.71 0.00 0.00 54.79 53.38 1s9d n ASP 118 Cb 0.46 -0.14 -0.01 0.00 -0.02 0.00 0.00 41.12 41.41 1s9d n ASP 118 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s9d n ALA 119 N 1.24 1.99 -1.91 2.24 0.00 -0.94 -4.94 120.51 118.18 1s9d n ALA 119 Ca 0.15 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.56 1s9d n ALA 119 Cb 0.54 -2.38 -0.04 0.00 0.00 0.00 0.00 19.45 17.57 1s9d n ALA 119 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1s9d s VAL 120 N -0.36 3.58 -0.20 0.00 1.01 -0.69 -4.61 120.40 119.13 1s9d s VAL 120 Ca 0.62 1.46 -0.04 0.00 0.00 0.00 0.00 61.98 64.02 1s9d s VAL 120 Cb -0.54 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 1s9d s VAL 120 CO 0.53 0.30 -0.04 -0.22 0.00 0.00 0.00 175.10 175.67 1s9d s LEU 121 N -0.88 3.01 -0.20 3.92 2.96 -0.19 -0.41 118.68 126.89 1s9d s LEU 121 Ca 0.48 -0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 54.04 1s9d s LEU 121 Cb -0.32 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 1s9d s LEU 121 CO 0.39 0.03 -0.06 -0.22 -1.32 0.00 0.00 176.35 175.16 1s9d s LEU 122 N 1.21 2.88 -0.24 -0.68 2.96 0.03 -1.51 118.68 123.33 1s9d s LEU 122 Ca 0.03 -0.36 -0.09 0.00 -0.22 0.00 0.00 54.13 53.48 1s9d s LEU 122 Cb -0.14 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 1s9d s LEU 122 CO -0.01 0.03 0.12 -0.69 -1.32 0.00 0.00 176.35 174.48 1s9d s VAL 123 N 1.20 4.99 -0.41 1.68 1.01 0.40 -0.68 120.40 128.59 1s9d s VAL 123 Ca 0.02 0.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.87 1s9d s VAL 123 Cb -0.14 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 32.93 1s9d s VAL 123 CO -0.02 0.35 0.49 -0.36 0.00 0.00 0.00 175.10 175.56 1s9d s PHE 124 N 1.18 3.15 -1.08 5.22 0.08 0.07 -0.89 117.98 125.71 1s9d s PHE 124 Ca 0.06 -0.21 -0.20 0.00 0.12 0.00 0.00 56.93 56.70 1s9d s PHE 124 Cb -0.14 -2.99 0.08 0.00 -0.57 0.00 0.00 43.02 39.40 1s9d s PHE 124 CO 0.05 -0.70 1.45 0.00 -0.10 0.00 0.00 175.22 175.91 1s9d s ALA 125 N 2.32 3.09 0.53 5.36 0.00 0.47 -1.74 121.76 131.79 1s9d s ALA 125 Ca 0.15 -2.60 -0.01 0.00 0.00 0.00 0.00 51.96 49.50 1s9d s ALA 125 Cb -0.16 -4.42 0.02 0.00 0.00 0.00 0.00 23.12 18.55 1s9d s ALA 125 CO 0.15 -3.35 0.78 1.21 0.00 0.00 0.00 175.76 174.55 1s9d s ASN 126 N 4.36 5.51 -0.86 0.00 2.47 0.05 -1.51 114.94 124.97 1s9d s ASN 126 Ca 0.45 0.29 -0.04 0.00 0.42 0.00 0.00 52.86 53.97 1s9d s ASN 126 Cb -0.00 -1.31 0.00 0.00 -1.45 0.00 0.00 41.25 38.49 1s9d s ASN 126 CO -0.05 -1.00 0.51 0.29 -3.72 0.00 0.00 177.10 173.13 1s9d n LYS 127 N -2.34 -3.70 0.09 0.43 5.02 -0.86 -1.43 118.16 115.37 1s9d n LYS 127 Ca 0.05 0.51 0.12 0.00 -2.02 0.00 0.00 58.31 56.97 1s9d n LYS 127 Cb 0.59 -4.55 0.45 0.00 -0.02 0.00 0.00 35.03 31.50 1s9d n LYS 127 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1s9d n GLN 128 N -2.88 0.17 0.24 1.97 1.13 -0.79 -2.10 117.38 115.11 1s9d n GLN 128 Ca -0.03 0.29 0.10 0.00 -1.94 0.00 0.00 57.00 55.42 1s9d n GLN 128 Cb 0.55 -1.76 0.58 0.00 0.11 0.00 0.00 30.24 29.72 1s9d n GLN 128 CO 0.00 0.00 0.00 0.38 -1.44 0.00 0.00 177.06 176.00 1s9d h ASP 129 N 0.00 0.00 -3.38 1.08 2.03 -1.91 -3.45 116.42 110.79 1s9d h ASP 129 Ca 0.00 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.78 1s9d h ASP 129 Cb 0.49 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.00 1s9d h ASP 129 CO 0.00 0.20 0.56 -0.76 -1.03 0.00 0.00 179.24 178.21 1s9d s LEU 130 N -7.19 4.43 0.31 0.15 1.43 -0.89 -4.90 118.68 112.02 1s9d s LEU 130 Ca -0.02 2.16 0.08 0.00 -1.03 0.00 0.00 54.13 55.32 1s9d s LEU 130 Cb 0.12 -3.60 0.82 0.00 0.03 0.00 0.00 46.19 43.56 1s9d s LEU 130 CO 0.62 -0.40 1.75 1.55 0.23 0.00 0.00 176.35 180.10 1s9d h PRO 131 N 5.76 0.65 -0.38 1.29 0.13 -1.90 -1.97 132.00 135.59 1s9d h PRO 131 Ca -0.43 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1s9d h PRO 131 Cb 1.21 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1s9d h PRO 131 CO 0.77 0.43 0.00 -1.71 -0.23 0.00 0.00 178.00 177.26 1s9d n ASN 132 N -4.83 4.06 -4.76 1.44 5.15 -1.26 -5.03 115.26 110.03 1s9d n ASN 132 Ca 0.25 -2.69 -0.39 0.00 -0.60 0.00 0.00 54.58 51.15 1s9d n ASN 132 Cb 0.66 -0.50 0.03 0.00 -0.53 0.00 0.00 39.78 39.44 1s9d n ASN 132 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1s9d s ALA 133 N -2.26 2.99 0.36 5.20 0.00 -0.74 -4.88 121.76 122.42 1s9d s ALA 133 Ca 0.41 1.39 -0.28 0.00 0.00 0.00 0.00 51.96 53.48 1s9d s ALA 133 Cb 0.30 -3.58 -0.11 0.00 0.00 0.00 0.00 23.12 19.73 1s9d s ALA 133 CO 0.14 -1.31 1.49 -1.64 0.00 0.00 0.00 175.76 174.45 1s9d s MET 134 N -2.72 4.13 0.81 0.00 1.00 0.10 -4.93 119.30 117.69 1s9d s MET 134 Ca 0.67 2.55 -0.12 0.00 0.00 0.00 0.00 55.69 58.80 1s9d s MET 134 Cb -0.42 -2.98 0.09 0.00 0.00 0.00 0.00 34.83 31.51 1s9d s MET 134 CO 0.51 -0.53 1.18 0.54 0.00 0.00 0.00 175.02 176.72 1s9d s ASN 135 N -0.05 4.42 0.30 3.03 2.20 -1.26 -4.81 114.94 118.77 1s9d s ASN 135 Ca 0.54 0.71 0.02 0.00 -0.94 0.00 0.00 52.86 53.19 1s9d s ASN 135 Cb -0.46 -1.18 0.58 0.00 -2.00 0.00 0.00 41.25 38.19 1s9d s ASN 135 CO 0.60 -1.95 1.87 0.00 -2.94 0.00 0.00 177.10 174.68 1s9d h ALA 136 N -1.06 1.56 -0.27 3.54 0.00 -1.95 -1.41 119.26 119.68 1s9d h ALA 136 Ca -0.46 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1s9d h ALA 136 Cb 1.32 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1s9d h ALA 136 CO 0.63 0.24 0.15 0.00 0.00 0.00 0.00 179.25 180.27 1s9d h ALA 137 N 1.53 0.34 -0.51 0.00 0.00 -1.99 0.00 119.26 118.63 1s9d h ALA 137 Ca 0.45 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1s9d h ALA 137 Cb 0.40 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1s9d h ALA 137 CO -0.21 -0.14 0.27 1.49 0.00 0.00 0.00 179.25 180.66 1s9d h GLU 138 N 0.33 0.72 -1.01 0.00 4.81 -1.84 -2.41 114.58 115.18 1s9d h GLU 138 Ca 0.10 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1s9d h GLU 138 Cb 0.04 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.22 1s9d h GLU 138 CO -0.02 0.57 0.66 0.82 -0.73 0.00 0.00 179.01 180.32 1s9d h ILE 139 N 0.68 1.21 -0.27 2.32 1.08 -1.11 -0.97 117.51 120.45 1s9d h ILE 139 Ca 0.18 -0.45 0.02 0.00 -0.39 0.00 0.00 64.86 64.22 1s9d h ILE 139 Cb 0.06 -0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 33.57 1s9d h ILE 139 CO -0.03 0.24 0.13 0.74 -0.69 0.00 0.00 178.15 178.54 1s9d h THR 140 N 1.31 0.98 -0.01 -0.27 2.02 -0.78 0.15 112.91 116.31 1s9d h THR 140 Ca 0.39 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.49 1s9d h THR 140 Cb -0.06 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1s9d h THR 140 CO -0.11 0.05 -0.04 0.44 0.37 0.00 0.00 175.52 176.23 1s9d h ASP 141 N 0.27 -0.13 0.91 4.18 3.32 -0.91 -1.55 116.42 122.52 1s9d h ASP 141 Ca 0.11 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 1s9d h ASP 141 Cb 0.04 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1s9d h ASP 141 CO -0.08 -0.07 -0.52 0.11 -1.72 0.00 0.00 179.24 176.96 1s9d h LYS 142 N -0.07 0.00 -0.01 3.56 1.57 -0.61 -2.07 116.57 118.93 1s9d h LYS 142 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1s9d h LYS 142 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1s9d h LYS 142 CO -0.05 0.52 -0.09 1.28 -0.57 0.00 0.00 179.45 180.53 1s9d n LEU 143 N -3.53 0.90 -0.64 2.94 4.77 0.47 -4.75 117.00 117.15 1s9d n LEU 143 Ca -0.00 -0.23 -0.06 0.00 -0.03 0.00 0.00 56.01 55.69 1s9d n LEU 143 Cb 0.61 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 1s9d n LEU 143 CO 0.40 0.16 -0.07 0.61 -1.33 0.00 0.00 177.39 177.15 1s9d n GLY 144 N 1.22 0.32 0.24 -0.72 0.00 -0.78 -4.89 105.19 100.59 1s9d n GLY 144 Ca 0.17 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1s9d n GLY 144 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s9d h LEU 145 N 0.00 0.34 -1.86 0.99 3.38 -1.54 -2.22 115.31 114.41 1s9d h LEU 145 Ca -0.14 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1s9d h LEU 145 Cb 0.92 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1s9d h LEU 145 CO 0.18 0.51 0.00 0.45 0.09 0.00 0.00 178.44 179.67 1s9d h HIS 146 N 0.34 0.00 0.00 1.13 3.86 -1.91 -1.47 115.15 117.09 1s9d h HIS 146 Ca 0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1s9d h HIS 146 Cb 0.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1s9d h HIS 146 CO 0.01 0.00 -0.06 0.66 0.86 0.00 0.00 177.93 179.40 1s9d h SER 147 N 0.00 0.00 -0.13 2.45 4.64 -1.78 -3.40 113.55 115.33 1s9d h SER 147 Ca 0.00 -0.01 -0.71 0.00 -0.47 0.00 0.00 61.79 60.60 1s9d h SER 147 Cb 0.19 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.23 1s9d h SER 147 CO 0.00 0.00 3.01 0.18 -0.87 0.00 0.00 176.83 179.15 1s9d n LEU 148 N -2.71 6.66 0.15 5.97 4.77 -0.55 -4.77 117.00 126.51 1s9d n LEU 148 Ca 0.04 -4.13 0.00 0.00 -0.03 0.00 0.00 56.01 51.89 1s9d n LEU 148 Cb 0.49 -1.66 0.22 0.00 -2.33 0.00 0.00 43.42 40.13 1s9d n LEU 148 CO 0.33 1.02 0.55 0.03 -1.33 0.00 0.00 177.39 177.99 1s9d h ARG 149 N 6.16 0.00 -0.76 3.23 3.08 -1.83 -3.23 114.38 121.02 1s9d h ARG 149 Ca 0.55 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 60.17 1s9d h ARG 149 Cb 0.66 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.47 1s9d h ARG 149 CO 1.84 0.55 0.35 0.72 -1.07 0.00 0.00 179.97 182.35 1s9d n HIS 150 N -3.84 2.40 -4.43 3.04 8.25 -1.26 -4.98 115.22 114.41 1s9d n HIS 150 Ca -0.01 -1.98 -0.20 0.00 -0.26 0.00 0.00 57.72 55.27 1s9d n HIS 150 Cb 0.57 -0.84 -0.15 0.00 1.12 0.00 0.00 29.99 30.69 1s9d n HIS 150 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1s9d s ARG 151 N -3.39 0.85 -0.49 -0.41 6.06 -1.22 -5.05 118.95 115.30 1s9d s ARG 151 Ca 0.54 -0.36 -0.25 0.00 -2.50 0.00 0.00 55.73 53.16 1s9d s ARG 151 Cb 0.46 -0.81 0.03 0.00 0.06 0.00 0.00 34.95 34.68 1s9d s ARG 151 CO 0.05 0.20 0.91 1.21 -2.50 0.00 0.00 175.30 175.17 1s9d s ASN 152 N -0.17 6.44 0.11 -2.12 2.47 -1.26 -5.02 114.94 115.39 1s9d s ASN 152 Ca 0.03 -0.05 0.03 0.00 0.42 0.00 0.00 52.86 53.29 1s9d s ASN 152 Cb -0.05 -2.44 -0.04 0.00 -1.45 0.00 0.00 41.25 37.28 1s9d s ASN 152 CO -0.00 -1.08 -0.08 -1.66 -3.72 0.00 0.00 177.10 170.56 1s9d s TRP 153 N 3.75 1.01 -0.12 0.43 1.48 -1.26 -1.02 118.94 123.20 1s9d s TRP 153 Ca 0.34 -0.84 -0.15 0.00 -1.06 0.00 0.00 56.10 54.39 1s9d s TRP 153 Cb -0.11 -0.56 0.04 0.00 -1.16 0.00 0.00 33.47 31.68 1s9d s TRP 153 CO 0.24 -0.07 0.40 -0.47 -4.06 0.00 0.00 176.95 172.99 1s9d s TYR 154 N -3.40 -0.40 -0.09 1.66 5.04 -0.57 -5.00 117.35 114.59 1s9d s TYR 154 Ca 0.12 0.93 0.02 0.00 -2.44 0.00 0.00 57.07 55.70 1s9d s TYR 154 Cb 0.04 0.15 -0.02 0.00 0.35 0.00 0.00 41.96 42.48 1s9d s TYR 154 CO -0.03 -0.27 -0.15 -1.50 -1.34 0.00 0.00 175.55 172.27 1s9d s ILE 155 N -0.15 2.94 -0.09 3.14 2.07 -1.26 -0.45 121.20 127.39 1s9d s ILE 155 Ca -0.03 -0.74 0.01 0.00 -1.41 0.00 0.00 60.65 58.49 1s9d s ILE 155 Cb -0.03 -2.18 0.02 0.00 0.13 0.00 0.00 42.46 40.39 1s9d s ILE 155 CO 0.02 0.56 -0.11 -1.58 -1.91 0.00 0.00 174.94 171.91 1s9d s GLN 156 N -0.17 1.74 0.06 3.50 2.00 -0.06 -4.97 119.66 121.76 1s9d s GLN 156 Ca -0.01 -0.39 -0.31 0.00 -2.00 0.00 0.00 55.36 52.66 1s9d s GLN 156 Cb -0.13 -1.56 -0.08 0.00 0.80 0.00 0.00 33.01 32.04 1s9d s GLN 156 CO 0.03 -0.09 1.61 0.00 -0.50 0.00 0.00 175.29 176.34 1s9d s ALA 157 N 1.08 3.67 0.05 1.58 0.00 -1.26 -0.39 121.76 126.48 1s9d s ALA 157 Ca -0.06 1.16 0.01 0.00 0.00 0.00 0.00 51.96 53.07 1s9d s ALA 157 Cb -0.15 -3.68 -0.03 0.00 0.00 0.00 0.00 23.12 19.27 1s9d s ALA 157 CO -0.01 -1.06 -0.06 0.95 0.00 0.00 0.00 175.76 175.57 1s9d s THR 158 N 2.56 0.44 -0.29 0.00 -4.23 -0.57 -4.30 115.64 109.25 1s9d s THR 158 Ca 0.72 -1.33 0.02 0.00 -1.18 0.00 0.00 61.69 59.93 1s9d s THR 158 Cb -0.39 -0.89 0.08 0.00 1.34 0.00 0.00 72.50 72.65 1s9d s THR 158 CO 0.31 -0.59 -0.00 0.00 -0.54 0.00 0.00 174.62 173.80 1s9d h ALA 160 N 7.79 1.29 -0.37 0.00 0.00 -1.91 0.20 119.26 126.26 1s9d h ALA 160 Ca -0.12 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 1s9d h ALA 160 Cb 1.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1s9d h ALA 160 CO 0.48 0.44 -0.22 1.79 0.00 0.00 0.00 179.25 181.74 1s9d h THR 161 N 0.00 1.28 0.00 0.00 1.35 -1.95 -3.23 112.91 110.36 1s9d h THR 161 Ca -0.00 -1.36 -0.13 0.00 -0.55 0.00 0.00 66.41 64.37 1s9d h THR 161 Cb 0.68 1.35 -0.02 0.00 -1.73 0.00 0.00 68.15 68.43 1s9d h THR 161 CO 0.05 0.45 -1.18 0.77 -0.25 0.00 0.00 175.52 175.36 1s9d h SER 162 N 0.60 0.00 0.00 5.36 4.64 -1.95 -3.48 113.55 118.72 1s9d h SER 162 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1s9d h SER 162 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1s9d h SER 162 CO 0.06 0.45 0.00 0.61 -0.87 0.00 0.00 176.83 177.08 1s9d n GLY 163 N 1.33 0.61 3.73 -0.77 0.00 0.67 -5.04 105.19 105.71 1s9d n GLY 163 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1s9d n GLY 163 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s9d n ASP 164 N 0.00 3.69 0.00 1.61 9.92 -1.01 -2.28 116.55 128.47 1s9d n ASP 164 Ca 0.00 1.14 0.00 0.00 -0.53 0.00 0.00 54.79 55.40 1s9d n ASP 164 Cb 0.00 -1.56 0.00 0.00 -0.64 0.00 0.00 41.12 38.92 1s9d n ASP 164 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1s9d n GLY 165 N 2.32 2.92 0.16 0.44 0.00 -1.26 -0.94 105.19 108.83 1s9d n GLY 165 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 1s9d n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s9d h LEU 166 N 0.00 -0.32 -0.72 0.99 3.38 -1.73 -2.00 115.31 114.90 1s9d h LEU 166 Ca 0.00 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1s9d h LEU 166 Cb 0.00 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1s9d h LEU 166 CO 0.00 -0.17 -0.63 1.88 0.09 0.00 0.00 178.44 179.61 1s9d h TYR 167 N -0.22 0.00 -0.37 1.13 0.05 -1.91 -1.03 116.97 114.61 1s9d h TYR 167 Ca 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 1s9d h TYR 167 Cb 0.25 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 1s9d h TYR 167 CO -0.15 0.63 0.18 0.93 -1.05 0.00 0.00 178.16 178.70 1s9d h GLU 168 N 0.00 0.54 -0.38 4.88 3.07 -1.91 0.13 114.58 120.90 1s9d h GLU 168 Ca -0.01 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 1s9d h GLU 168 Cb 1.12 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.92 1s9d h GLU 168 CO 0.08 0.47 0.17 0.78 -1.40 0.00 0.00 179.01 179.12 1s9d h GLY 169 N 0.47 0.60 1.94 -3.84 0.00 -1.08 -2.36 103.07 98.80 1s9d h GLY 169 Ca 0.13 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 1s9d h GLY 169 CO -0.02 0.29 -0.26 1.41 0.00 0.00 0.00 176.54 177.96 1s9d h LEU 170 N 0.48 0.07 -0.27 3.11 3.38 -0.99 -1.70 115.31 119.39 1s9d h LEU 170 Ca 0.13 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1s9d h LEU 170 Cb 0.15 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1s9d h LEU 170 CO -0.01 0.34 -0.13 0.44 0.09 0.00 0.00 178.44 179.16 1s9d h ASP 171 N 0.07 0.58 -0.12 -0.43 3.32 -0.85 0.70 116.42 119.68 1s9d h ASP 171 Ca 0.01 -0.41 0.04 0.00 0.02 0.00 0.00 57.03 56.69 1s9d h ASP 171 Cb 0.51 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 1s9d h ASP 171 CO 0.04 0.86 -0.11 -0.25 -1.72 0.00 0.00 179.24 178.05 1s9d h TRP 172 N 0.30 -0.28 -0.21 4.55 7.01 -1.08 -1.90 115.95 124.34 1s9d h TRP 172 Ca 0.06 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.09 1s9d h TRP 172 Cb 0.64 0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.83 1s9d h TRP 172 CO 0.06 -0.17 0.11 1.25 -2.79 0.00 0.00 178.44 176.90 1s9d h LEU 173 N -0.14 0.16 -0.63 0.65 5.85 -1.05 -0.97 115.31 119.19 1s9d h LEU 173 Ca 0.08 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.93 1s9d h LEU 173 Cb 0.25 -0.03 -0.12 0.00 0.37 0.00 0.00 40.66 41.14 1s9d h LEU 173 CO -0.20 0.13 -0.27 -1.28 -0.34 0.00 0.00 178.44 176.48 1s9d h SER 174 N 0.23 -0.95 -0.12 1.25 0.87 -0.78 -1.95 113.55 112.09 1s9d h SER 174 Ca 0.08 0.22 -0.09 0.00 -1.23 0.00 0.00 61.79 60.78 1s9d h SER 174 Cb 0.01 0.52 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 1s9d h SER 174 CO -0.05 -0.28 -0.19 -1.13 -0.53 0.00 0.00 176.83 174.66 1s9d h ASN 175 N -0.10 0.52 0.30 6.23 -1.24 -0.91 -2.65 115.58 117.73 1s9d h ASN 175 Ca 0.27 -0.16 -0.06 0.00 0.71 0.00 0.00 56.30 57.07 1s9d h ASN 175 Cb 0.54 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 1s9d h ASN 175 CO -0.69 0.72 -0.27 1.56 -1.29 0.00 0.00 177.43 177.45 1s9d h GLN 176 N 0.47 0.00 0.00 6.67 1.08 -0.43 -2.77 115.11 120.13 1s9d h GLN 176 Ca 0.08 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 1s9d h GLN 176 Cb 0.59 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1s9d h GLN 176 CO 0.04 0.27 -0.05 -0.07 -0.95 0.00 0.00 178.83 178.08 1s9d h LEU 177 N 0.00 0.00 0.00 1.46 3.38 -1.08 -3.51 115.31 115.55 1s9d h LEU 177 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1s9d h LEU 177 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1s9d h LEU 177 CO 0.04 0.05 0.00 0.54 0.09 0.00 0.00 178.44 179.15