#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9m h ILE 17 N 0.00 1.41 -2.69 -0.61 2.04 -1.98 -3.46 117.51 112.22 1n9m h ILE 17 Ca 0.00 -3.02 -0.53 0.00 1.00 0.00 0.00 64.86 62.32 1n9m h ILE 17 Cb 0.00 2.87 0.04 0.00 -0.74 0.00 0.00 36.82 38.99 1n9m h ILE 17 CO 0.00 0.87 0.99 -0.89 0.00 0.00 0.00 178.15 179.12 1n9m s THR 18 N -2.65 2.58 -5.00 -0.27 2.01 -1.26 -4.86 115.64 106.19 1n9m s THR 18 Ca -0.05 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.22 1n9m s THR 18 Cb 0.07 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.41 1n9m s THR 18 CO 0.87 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.42 1n9m n GLY 19 N 3.98 -0.19 3.54 4.40 0.00 -0.52 -5.01 105.19 111.38 1n9m n GLY 19 Ca 0.16 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.26 1n9m n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n9m s THR 20 N -2.51 4.34 0.14 2.61 2.01 -1.26 -2.77 115.64 118.20 1n9m s THR 20 Ca 0.00 -0.19 0.09 0.00 0.31 0.00 0.00 61.69 61.91 1n9m s THR 20 Cb 0.00 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 1n9m s THR 20 CO 0.00 0.44 -0.21 0.26 -0.69 0.00 0.00 174.62 174.42 1n9m s TRP 21 N 0.68 1.95 0.05 4.92 0.52 0.54 -4.54 118.94 123.06 1n9m s TRP 21 Ca 0.01 -0.42 0.04 0.00 0.02 0.00 0.00 56.10 55.76 1n9m s TRP 21 Cb -0.14 -1.01 -0.02 0.00 -1.15 0.00 0.00 33.47 31.14 1n9m s TRP 21 CO 0.02 0.31 -0.13 0.71 0.02 0.00 0.00 176.95 177.88 1n9m s TYR 22 N -1.54 1.12 0.43 -1.98 1.51 -0.30 -0.15 117.35 116.45 1n9m s TYR 22 Ca 0.13 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 1n9m s TYR 22 Cb -0.08 -0.65 0.02 0.00 -0.11 0.00 0.00 41.96 41.14 1n9m s TYR 22 CO 0.06 0.03 0.20 0.27 -1.11 0.00 0.00 175.55 175.00 1n9m n ASN 23 N 1.64 2.70 0.00 2.29 0.23 -1.21 -1.83 115.26 119.07 1n9m n ASN 23 Ca -0.20 -2.64 0.10 0.00 -0.53 0.00 0.00 54.58 51.31 1n9m n ASN 23 Cb 0.55 0.09 0.50 0.00 -2.08 0.00 0.00 39.78 38.83 1n9m n ASN 23 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1n9m n GLN 24 N -1.35 0.31 -0.22 -3.83 0.00 -1.23 -2.41 117.38 108.65 1n9m n GLN 24 Ca -0.08 0.09 0.07 0.00 0.00 0.00 0.00 57.00 57.09 1n9m n GLN 24 Cb 0.51 -1.50 0.19 0.00 0.00 0.00 0.00 30.24 29.44 1n9m n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1n9m n LEU 25 N -1.26 3.16 0.00 2.61 4.77 -1.26 -4.99 117.00 120.03 1n9m n LEU 25 Ca 0.10 -1.99 0.00 0.00 -0.03 0.00 0.00 56.01 54.09 1n9m n LEU 25 Cb 0.15 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1n9m n LEU 25 CO 0.14 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1n9m n GLY 26 N 0.78 0.57 3.77 -0.72 0.00 -1.01 -4.52 105.19 104.05 1n9m n GLY 26 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1n9m n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9m s ALA 27 N -2.04 2.43 -0.24 4.61 0.00 -1.26 -4.58 121.76 120.68 1n9m s ALA 27 Ca 0.00 0.56 -0.01 0.00 0.00 0.00 0.00 51.96 52.51 1n9m s ALA 27 Cb 0.00 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.82 1n9m s ALA 27 CO 0.00 -1.35 -0.08 0.99 0.00 0.00 0.00 175.76 175.31 1n9m s THR 28 N -2.34 2.77 -0.33 0.00 2.01 -0.97 -3.35 115.64 113.43 1n9m s THR 28 Ca 0.67 -1.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.67 1n9m s THR 28 Cb -0.21 -2.37 0.08 0.00 0.01 0.00 0.00 72.50 70.00 1n9m s THR 28 CO 0.43 0.26 0.05 0.12 -0.69 0.00 0.00 174.62 174.78 1n9m s PHE 29 N 1.32 3.44 -0.29 4.92 5.36 0.79 -2.01 117.98 131.51 1n9m s PHE 29 Ca 0.01 -2.26 -0.08 0.00 -0.96 0.00 0.00 56.93 53.64 1n9m s PHE 29 Cb -0.16 -2.53 -0.01 0.00 -0.34 0.00 0.00 43.02 39.98 1n9m s PHE 29 CO -0.06 -0.88 0.10 0.42 -1.46 0.00 0.00 175.22 173.34 1n9m s ILE 30 N 1.15 4.30 -0.03 3.12 1.01 -0.57 -0.34 121.20 129.83 1n9m s ILE 30 Ca 0.01 -0.43 -0.08 0.00 0.00 0.00 0.00 60.65 60.14 1n9m s ILE 30 Cb -0.20 -3.14 0.01 0.00 0.01 0.00 0.00 42.46 39.13 1n9m s ILE 30 CO -0.03 0.16 0.19 0.54 0.00 0.00 0.00 174.94 175.79 1n9m s VAL 31 N 1.58 0.05 -0.09 2.92 0.11 -1.11 -0.40 120.40 123.44 1n9m s VAL 31 Ca 0.05 -0.38 0.03 0.00 -2.93 0.00 0.00 61.98 58.75 1n9m s VAL 31 Cb -0.16 -0.40 0.01 0.00 -1.53 0.00 0.00 36.38 34.29 1n9m s VAL 31 CO 0.04 -0.21 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.52 1n9m s THR 32 N -0.77 1.72 -0.24 5.04 2.01 -0.67 -1.44 115.64 121.29 1n9m s THR 32 Ca -0.09 -0.81 -0.10 0.00 0.31 0.00 0.00 61.69 61.00 1n9m s THR 32 Cb -0.05 -1.52 -0.05 0.00 0.01 0.00 0.00 72.50 70.90 1n9m s THR 32 CO 0.01 0.49 0.14 0.00 -0.69 0.00 0.00 174.62 174.57 1n9m s ALA 33 N 0.56 3.48 0.48 7.40 0.00 -1.26 -2.80 121.76 129.62 1n9m s ALA 33 Ca -0.15 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.80 1n9m s ALA 33 Cb -0.17 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 1n9m s ALA 33 CO 0.05 -0.29 0.78 0.20 0.00 0.00 0.00 175.76 176.50 1n9m s GLY 34 N 1.24 1.49 0.00 0.00 0.00 0.80 -4.91 107.32 105.94 1n9m s GLY 34 Ca 0.06 -0.53 0.08 0.00 0.00 0.00 0.00 44.72 44.34 1n9m s GLY 34 CO 0.05 -0.36 0.93 0.00 0.00 0.00 0.00 173.10 173.72 1n9m n ALA 35 N -2.25 2.03 0.37 3.20 0.00 -1.26 -2.50 120.51 120.10 1n9m n ALA 35 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.43 1n9m n ALA 35 Cb 0.55 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 18.82 1n9m n ALA 35 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1n9m n ASP 36 N -0.77 0.40 0.00 0.00 5.75 -1.26 -4.97 116.55 115.71 1n9m n ASP 36 Ca 0.06 -0.68 0.00 0.00 -0.01 0.00 0.00 54.79 54.16 1n9m n ASP 36 Cb 0.03 1.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.12 1n9m n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n9m n GLY 37 N 1.20 1.11 3.86 6.12 0.00 -1.04 -4.95 105.19 111.48 1n9m n GLY 37 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1n9m n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9m s ALA 38 N -2.00 3.50 -0.09 4.61 0.00 -1.25 -1.81 121.76 124.72 1n9m s ALA 38 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 51.87 1n9m s ALA 38 Cb 0.00 -2.56 -0.01 0.00 0.00 0.00 0.00 23.12 20.55 1n9m s ALA 38 CO 0.00 0.44 -0.23 -0.51 0.00 0.00 0.00 175.76 175.47 1n9m s LEU 39 N -2.56 2.18 -0.04 0.00 1.02 -0.73 -0.14 118.68 118.41 1n9m s LEU 39 Ca 0.46 -0.51 -0.05 0.00 0.02 0.00 0.00 54.13 54.05 1n9m s LEU 39 Cb -0.12 -1.43 0.01 0.00 0.02 0.00 0.00 46.19 44.67 1n9m s LEU 39 CO 0.20 0.19 0.13 -0.89 0.02 0.00 0.00 176.35 176.00 1n9m s THR 40 N 0.18 0.02 -4.02 5.49 2.01 -1.12 -1.83 115.64 116.37 1n9m s THR 40 Ca -0.13 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.70 1n9m s THR 40 Cb -0.16 -0.25 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1n9m s THR 40 CO 0.07 -0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 1n9m n GLY 41 N 2.65 -0.53 3.13 4.40 0.00 -1.10 -1.67 105.19 112.08 1n9m n GLY 41 Ca -0.15 -0.84 -0.18 0.00 0.00 0.00 0.00 46.02 44.85 1n9m n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n9m s THR 42 N -3.51 1.00 -0.04 2.61 -4.23 0.46 -1.80 115.64 110.13 1n9m s THR 42 Ca 0.00 -1.08 0.06 0.00 -1.18 0.00 0.00 61.69 59.49 1n9m s THR 42 Cb 0.00 -0.94 -0.01 0.00 1.34 0.00 0.00 72.50 72.88 1n9m s THR 42 CO 0.00 -0.12 -0.23 -0.47 -0.54 0.00 0.00 174.62 173.26 1n9m s TYR 43 N -1.04 2.17 -0.11 3.99 6.14 0.03 -1.51 117.35 127.02 1n9m s TYR 43 Ca -0.01 -0.55 -0.00 0.00 0.64 0.00 0.00 57.07 57.14 1n9m s TYR 43 Cb -0.09 -1.42 0.02 0.00 0.42 0.00 0.00 41.96 40.90 1n9m s TYR 43 CO 0.01 -0.14 -0.09 -2.00 0.64 0.00 0.00 175.55 173.98 1n9m s GLU 44 N -0.28 1.64 -0.07 4.97 2.12 -0.85 -1.17 118.70 125.07 1n9m s GLU 44 Ca 0.01 -0.31 -0.10 0.00 0.36 0.00 0.00 54.97 54.93 1n9m s GLU 44 Cb -0.11 -1.63 -0.05 0.00 0.26 0.00 0.00 34.13 32.60 1n9m s GLU 44 CO 0.02 -0.23 0.25 0.45 -0.54 0.00 0.00 175.26 175.21 1n9m s SER 45 N 1.56 6.56 0.00 -1.70 0.15 -1.26 -2.29 113.70 116.72 1n9m s SER 45 Ca 0.03 0.67 0.25 0.00 0.70 0.00 0.00 55.95 57.59 1n9m s SER 45 Cb -0.13 -2.14 0.42 0.00 -1.71 0.00 0.00 66.02 62.46 1n9m s SER 45 CO -0.07 0.37 1.36 0.00 1.20 0.00 0.00 173.24 176.09 1n9m n ALA 46 N 1.88 3.67 -2.38 5.45 0.00 -1.26 -4.76 120.51 123.10 1n9m n ALA 46 Ca -0.17 -0.39 -0.20 0.00 0.00 0.00 0.00 53.44 52.67 1n9m n ALA 46 Cb 0.54 -1.07 -0.10 0.00 0.00 0.00 0.00 19.45 18.82 1n9m n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1n9m s VAL 47 N -2.94 1.87 0.00 0.00 -7.23 -1.26 -5.08 120.40 105.76 1n9m s VAL 47 Ca 0.12 -2.24 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 1n9m s VAL 47 Cb 0.17 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.98 1n9m s VAL 47 CO 0.70 -0.53 0.00 0.61 -0.31 0.00 0.00 175.10 175.57 1n9m n GLY 48 N -0.45 -1.81 3.11 2.32 0.00 -1.26 -4.54 105.19 102.56 1n9m n GLY 48 Ca -0.07 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 1n9m n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1n9m n ASN 49 N 0.44 4.84 -3.66 1.61 5.15 -1.26 -4.87 115.26 117.50 1n9m n ASN 49 Ca 0.00 -2.99 -0.14 0.00 -0.60 0.00 0.00 54.58 50.85 1n9m n ASN 49 Cb 0.00 -1.59 -0.08 0.00 -0.53 0.00 0.00 39.78 37.58 1n9m n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1n9m s ALA 50 N 1.93 -1.36 -0.12 5.20 0.00 -1.26 -4.60 121.76 121.55 1n9m s ALA 50 Ca 0.44 1.32 -0.15 0.00 0.00 0.00 0.00 51.96 53.58 1n9m s ALA 50 Cb 0.06 -0.57 0.04 0.00 0.00 0.00 0.00 23.12 22.65 1n9m s ALA 50 CO -0.00 -0.28 0.40 -1.83 0.00 0.00 0.00 175.76 174.04 1n9m s GLU 51 N -0.26 0.55 3.11 0.00 -1.05 -1.26 -4.94 118.70 114.85 1n9m s GLU 51 Ca -0.04 0.38 0.00 0.00 -0.15 0.00 0.00 54.97 55.15 1n9m s GLU 51 Cb -0.03 0.26 0.00 0.00 -0.44 0.00 0.00 34.13 33.92 1n9m s GLU 51 CO 0.03 -0.10 0.00 0.45 0.95 0.00 0.00 175.26 176.59 1n9m n SER 52 N 2.39 -2.36 -4.90 0.83 2.88 -1.26 -4.89 113.62 106.31 1n9m n SER 52 Ca -0.15 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.07 1n9m n SER 52 Cb 0.57 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.98 1n9m n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1n9m s ARG 53 N 0.00 3.60 0.02 -1.46 0.52 -1.26 -4.51 118.95 115.86 1n9m s ARG 53 Ca 0.00 -0.11 0.06 0.00 -0.52 0.00 0.00 55.73 55.16 1n9m s ARG 53 Cb 0.00 -2.91 -0.02 0.00 0.52 0.00 0.00 34.95 32.54 1n9m s ARG 53 CO 0.00 0.51 -0.18 0.71 0.02 0.00 0.00 175.30 176.36 1n9m s TYR 54 N -1.58 1.63 0.25 -0.53 1.51 -0.32 -4.90 117.35 113.41 1n9m s TYR 54 Ca 0.38 -0.34 -0.30 0.00 -1.01 0.00 0.00 57.07 55.81 1n9m s TYR 54 Cb -0.12 -1.01 -0.09 0.00 -0.11 0.00 0.00 41.96 40.63 1n9m s TYR 54 CO 0.23 0.03 1.25 0.08 -1.11 0.00 0.00 175.55 176.03 1n9m s VAL 55 N -0.63 3.19 0.19 0.71 1.01 -1.26 -0.79 120.40 122.81 1n9m s VAL 55 Ca 0.06 1.07 0.08 0.00 0.00 0.00 0.00 61.98 63.20 1n9m s VAL 55 Cb -0.08 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1n9m s VAL 55 CO 0.01 0.20 -0.17 -1.48 0.00 0.00 0.00 175.10 173.66 1n9m s LEU 56 N -0.82 2.49 -0.10 3.92 0.05 -0.75 -4.43 118.68 119.05 1n9m s LEU 56 Ca 0.52 -0.93 -0.14 0.00 0.05 0.00 0.00 54.13 53.62 1n9m s LEU 56 Cb -0.36 -0.78 0.03 0.00 -2.05 0.00 0.00 46.19 43.03 1n9m s LEU 56 CO 0.42 -0.08 0.37 0.28 -0.55 0.00 0.00 176.35 176.79 1n9m s THR 57 N -2.42 0.02 0.00 5.48 -1.32 -1.22 -2.70 115.64 113.48 1n9m s THR 57 Ca 0.19 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 1n9m s THR 57 Cb -0.04 -0.57 0.00 0.00 -1.51 0.00 0.00 72.50 70.38 1n9m s THR 57 CO 0.07 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 1n9m n GLY 58 N 2.31 2.66 3.00 6.08 0.00 -0.76 -2.39 105.19 116.08 1n9m n GLY 58 Ca -0.16 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 1n9m n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n9m s ARG 59 N 0.70 0.36 0.05 1.61 1.81 -0.94 -1.77 118.95 120.76 1n9m s ARG 59 Ca 0.00 -0.69 -0.01 0.00 -1.72 0.00 0.00 55.73 53.31 1n9m s ARG 59 Cb 0.00 0.10 -0.04 0.00 -0.45 0.00 0.00 34.95 34.56 1n9m s ARG 59 CO 0.00 -0.05 -0.02 1.52 -0.68 0.00 0.00 175.30 176.07 1n9m s TYR 60 N -1.74 0.48 -0.47 -0.53 1.13 -0.75 -2.22 117.35 113.25 1n9m s TYR 60 Ca -0.13 -1.01 -0.28 0.00 -1.41 0.00 0.00 57.07 54.24 1n9m s TYR 60 Cb -0.08 -0.36 0.01 0.00 -1.10 0.00 0.00 41.96 40.43 1n9m s TYR 60 CO -0.02 -0.38 1.45 0.34 -2.51 0.00 0.00 175.55 174.44 1n9m s ASP 61 N -2.82 6.19 0.00 -0.18 2.15 -0.31 -4.62 116.67 117.08 1n9m s ASP 61 Ca 0.05 0.64 0.30 0.00 0.43 0.00 0.00 52.55 53.97 1n9m s ASP 61 Cb 0.07 -2.54 1.53 0.00 -0.30 0.00 0.00 42.92 41.68 1n9m s ASP 61 CO -0.09 -1.59 2.02 -1.54 -0.17 0.00 0.00 175.17 173.80 1n9m n SER 62 N 9.34 0.50 -3.32 -0.34 3.41 -1.26 -4.10 113.62 117.86 1n9m n SER 62 Ca 0.16 -1.03 -0.26 0.00 -0.26 0.00 0.00 58.87 57.48 1n9m n SER 62 Cb 0.49 -0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 64.33 1n9m n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n9m n ALA 63 N -0.68 2.77 -0.92 7.33 0.00 -1.26 -5.08 120.51 122.68 1n9m n ALA 63 Ca 0.20 -3.45 -0.29 0.00 0.00 0.00 0.00 53.44 49.90 1n9m n ALA 63 Cb 0.21 -0.81 0.22 0.00 0.00 0.00 0.00 19.45 19.08 1n9m n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1n9m s PRO 64 N -0.82 -0.70 0.73 0.00 0.04 -1.26 -5.00 135.00 127.99 1n9m s PRO 64 Ca 0.34 0.38 -0.11 0.00 0.04 0.00 0.00 61.00 61.65 1n9m s PRO 64 Cb 0.11 -1.62 0.03 0.00 0.04 0.00 0.00 34.50 33.06 1n9m s PRO 64 CO -0.14 -3.46 1.08 0.00 0.04 0.00 0.00 177.00 174.52 1n9m s ALA 65 N -2.79 2.46 -0.23 8.56 0.00 -1.26 -4.98 121.76 123.52 1n9m s ALA 65 Ca 0.68 0.21 0.14 0.00 0.00 0.00 0.00 51.96 53.00 1n9m s ALA 65 Cb -0.17 -3.23 0.65 0.00 0.00 0.00 0.00 23.12 20.36 1n9m s ALA 65 CO 0.59 -1.48 1.59 0.25 0.00 0.00 0.00 175.76 176.71 1n9m n THR 66 N -3.24 2.56 -0.33 0.00 -2.24 -1.26 -4.55 114.28 105.22 1n9m n THR 66 Ca 0.08 -1.76 0.10 0.00 -2.27 0.00 0.00 64.05 60.20 1n9m n THR 66 Cb 0.53 -0.28 0.27 0.00 -2.10 0.00 0.00 70.33 68.75 1n9m n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1n9m n ASP 67 N -0.16 3.69 0.00 3.42 5.75 -1.26 -4.90 116.55 123.09 1n9m n ASP 67 Ca 0.27 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 1n9m n ASP 67 Cb 1.08 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 1n9m n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n9m n GLY 68 N 1.25 0.53 3.79 6.12 0.00 -1.26 -5.09 105.19 110.54 1n9m n GLY 68 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 1n9m n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n9m s SER 69 N -2.69 5.88 1.11 1.61 0.01 -1.26 -5.05 113.70 113.31 1n9m s SER 69 Ca 0.00 1.93 -0.18 0.00 1.31 0.00 0.00 55.95 59.02 1n9m s SER 69 Cb 0.00 -2.55 0.25 0.00 0.21 0.00 0.00 66.02 63.93 1n9m s SER 69 CO 0.00 -1.10 1.18 -0.83 0.41 0.00 0.00 173.24 172.90 1n9m s GLY 70 N -2.33 1.64 -0.31 3.44 0.00 -1.26 -4.83 107.32 103.67 1n9m s GLY 70 Ca 0.67 -1.00 -0.10 0.00 0.00 0.00 0.00 44.72 44.29 1n9m s GLY 70 CO 0.30 -0.17 0.17 -1.59 0.00 0.00 0.00 173.10 171.82 1n9m s THR 71 N -3.29 4.82 0.43 0.90 2.01 -0.54 -4.79 115.64 115.16 1n9m s THR 71 Ca 0.71 -0.32 -0.25 0.00 0.31 0.00 0.00 61.69 62.15 1n9m s THR 71 Cb -0.08 -3.44 -0.08 0.00 0.01 0.00 0.00 72.50 68.91 1n9m s THR 71 CO 0.55 0.07 1.25 0.00 -0.69 0.00 0.00 174.62 175.80 1n9m s ALA 72 N 1.65 3.14 0.26 7.40 0.00 -1.26 -1.53 121.76 131.42 1n9m s ALA 72 Ca 0.05 1.12 -0.21 0.00 0.00 0.00 0.00 51.96 52.92 1n9m s ALA 72 Cb -0.17 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.53 1n9m s ALA 72 CO 0.08 -0.78 0.78 -0.48 0.00 0.00 0.00 175.76 175.36 1n9m s LEU 73 N -2.65 -0.21 -0.02 0.00 0.05 -0.94 -1.16 118.68 113.75 1n9m s LEU 73 Ca 0.59 -0.62 -0.29 0.00 0.05 0.00 0.00 54.13 53.86 1n9m s LEU 73 Cb -0.35 2.61 0.10 0.00 -2.05 0.00 0.00 46.19 46.51 1n9m s LEU 73 CO 0.44 -1.29 0.90 -0.83 -0.55 0.00 0.00 176.35 175.02 1n9m s GLY 74 N -2.95 -0.45 0.20 -3.48 0.00 -0.94 -2.08 107.32 97.62 1n9m s GLY 74 Ca 0.12 1.08 -0.22 0.00 0.00 0.00 0.00 44.72 45.70 1n9m s GLY 74 CO 0.06 0.38 0.64 0.66 0.00 0.00 0.00 173.10 174.84 1n9m s TRP 75 N -3.00 -0.39 -0.01 1.90 -2.14 -0.78 -2.23 118.94 112.30 1n9m s TRP 75 Ca 0.05 0.08 0.04 0.00 2.66 0.00 0.00 56.10 58.93 1n9m s TRP 75 Cb -0.01 0.60 -0.01 0.00 -3.10 0.00 0.00 33.47 30.95 1n9m s TRP 75 CO -0.08 -0.99 -0.14 0.99 -2.66 0.00 0.00 176.95 174.07 1n9m s THR 76 N -3.82 1.09 -0.08 0.66 2.01 -1.00 -0.83 115.64 113.67 1n9m s THR 76 Ca 0.05 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.48 1n9m s THR 76 Cb -0.03 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.57 1n9m s THR 76 CO -0.05 0.29 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.29 1n9m s VAL 77 N -0.35 1.68 -0.21 3.82 1.01 0.16 -3.43 120.40 123.08 1n9m s VAL 77 Ca 0.05 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 1n9m s VAL 77 Cb -0.05 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 1n9m s VAL 77 CO -0.00 0.48 0.19 0.00 0.00 0.00 0.00 175.10 175.76 1n9m s ALA 78 N 0.33 3.63 -0.23 5.51 0.00 -1.26 -1.40 121.76 128.34 1n9m s ALA 78 Ca -0.13 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.06 1n9m s ALA 78 Cb -0.16 -2.31 -0.09 0.00 0.00 0.00 0.00 23.12 20.56 1n9m s ALA 78 CO 0.06 -0.03 3.15 0.91 0.00 0.00 0.00 175.76 179.84 1n9m n TRP 79 N 3.93 0.82 -5.24 0.00 7.02 -0.43 -4.80 117.44 118.73 1n9m n TRP 79 Ca -0.14 -1.72 -0.32 0.00 -1.02 0.00 0.00 57.50 54.30 1n9m n TRP 79 Cb 0.52 -1.46 -0.17 0.00 -2.42 0.00 0.00 31.31 27.78 1n9m n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1n9m s LYS 80 N -0.41 2.80 0.00 -0.99 2.20 -1.26 -1.71 119.74 120.37 1n9m s LYS 80 Ca 0.61 -0.89 0.00 0.00 -0.36 0.00 0.00 55.97 55.33 1n9m s LYS 80 Cb 0.35 -2.23 0.00 0.00 -1.51 0.00 0.00 37.83 34.44 1n9m s LYS 80 CO -0.11 0.28 0.00 0.27 -0.36 0.00 0.00 175.35 175.43 1n9m n ASN 81 N 3.23 0.00 0.08 1.43 0.23 -0.80 -4.83 115.26 114.61 1n9m n ASN 81 Ca -0.18 -0.59 0.10 0.00 -0.53 0.00 0.00 54.58 53.38 1n9m n ASN 81 Cb 0.52 0.00 0.42 0.00 -2.08 0.00 0.00 39.78 38.64 1n9m n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1n9m n ASN 82 N -1.41 0.40 -0.02 0.53 5.03 -1.26 -3.70 115.26 114.83 1n9m n ASN 82 Ca 0.00 0.60 0.06 0.00 0.87 0.00 0.00 54.58 56.11 1n9m n ASN 82 Cb 0.00 -0.68 -0.12 0.00 -1.02 0.00 0.00 39.78 37.96 1n9m n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1n9m n TYR 83 N -1.94 0.00 -3.51 3.10 4.01 -1.26 -5.06 117.16 112.49 1n9m n TYR 83 Ca 0.03 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.62 1n9m n TYR 83 Cb 0.20 -0.41 -0.05 0.00 -0.31 0.00 0.00 39.34 38.77 1n9m n TYR 83 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1n9m s ARG 84 N -2.97 1.00 -0.17 -0.72 3.52 -1.24 -5.07 118.95 113.30 1n9m s ARG 84 Ca -0.06 0.07 -0.02 0.00 -0.13 0.00 0.00 55.73 55.59 1n9m s ARG 84 Cb 0.09 0.47 0.05 0.00 -1.56 0.00 0.00 34.95 34.00 1n9m s ARG 84 CO 0.64 -0.35 0.02 1.21 -0.81 0.00 0.00 175.30 176.01 1n9m s ASN 85 N -1.54 2.67 0.00 -2.12 3.84 -1.26 -1.90 114.94 114.63 1n9m s ASN 85 Ca -0.06 -0.67 0.29 0.00 0.21 0.00 0.00 52.86 52.63 1n9m s ASN 85 Cb -0.00 -0.62 1.29 0.00 -0.55 0.00 0.00 41.25 41.37 1n9m s ASN 85 CO 0.03 -0.27 1.88 0.00 -2.79 0.00 0.00 177.10 175.96 1n9m n ALA 86 N 5.04 2.72 -3.65 1.71 0.00 -0.69 -4.96 120.51 120.67 1n9m n ALA 86 Ca -0.09 -0.31 -0.23 0.00 0.00 0.00 0.00 53.44 52.81 1n9m n ALA 86 Cb 0.48 -1.31 0.04 0.00 0.00 0.00 0.00 19.45 18.65 1n9m n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1n9m n HIS 87 N -0.61 -1.97 -3.70 0.00 8.25 -1.26 -4.89 115.22 111.04 1n9m n HIS 87 Ca 0.18 0.76 -0.10 0.00 -0.26 0.00 0.00 57.72 58.30 1n9m n HIS 87 Cb 0.27 -4.14 -0.03 0.00 1.12 0.00 0.00 29.99 27.20 1n9m n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1n9m s SER 88 N -4.06 -0.33 -0.12 0.41 1.04 -1.26 -1.38 113.70 108.01 1n9m s SER 88 Ca 0.16 -0.41 -0.10 0.00 0.48 0.00 0.00 55.95 56.07 1n9m s SER 88 Cb -0.04 0.62 0.03 0.00 0.10 0.00 0.00 66.02 66.72 1n9m s SER 88 CO 0.82 -1.10 0.31 0.00 0.98 0.00 0.00 173.24 174.24 1n9m s ALA 89 N -3.86 -0.75 -0.11 5.32 0.00 -0.59 -1.31 121.76 120.45 1n9m s ALA 89 Ca 0.08 0.88 -0.02 0.00 0.00 0.00 0.00 51.96 52.89 1n9m s ALA 89 Cb -0.02 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 1n9m s ALA 89 CO -0.03 -0.15 -0.03 0.99 0.00 0.00 0.00 175.76 176.55 1n9m s THR 90 N 0.21 4.03 -0.12 0.00 2.01 -0.49 -1.66 115.64 119.62 1n9m s THR 90 Ca -0.00 -0.33 -0.00 0.00 0.31 0.00 0.00 61.69 61.66 1n9m s THR 90 Cb -0.02 -2.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 1n9m s THR 90 CO -0.00 0.56 -0.10 0.42 -0.69 0.00 0.00 174.62 174.81 1n9m s THR 91 N -0.35 3.38 -0.15 -0.82 -4.23 -0.73 -0.66 115.64 112.08 1n9m s THR 91 Ca 0.06 -0.56 -0.04 0.00 -1.18 0.00 0.00 61.69 59.97 1n9m s THR 91 Cb -0.12 -2.42 -0.03 0.00 1.34 0.00 0.00 72.50 71.27 1n9m s THR 91 CO 0.02 0.54 -0.02 0.26 -0.54 0.00 0.00 174.62 174.88 1n9m s TRP 92 N 0.02 3.07 -0.13 3.99 0.51 -0.01 -2.44 118.94 123.94 1n9m s TRP 92 Ca -0.02 -0.17 0.03 0.00 -2.12 0.00 0.00 56.10 53.82 1n9m s TRP 92 Cb -0.14 -1.94 0.01 0.00 -0.81 0.00 0.00 33.47 30.59 1n9m s TRP 92 CO 0.04 0.07 -0.22 0.45 -0.51 0.00 0.00 176.95 176.78 1n9m s SER 93 N 0.15 3.06 0.00 2.95 0.15 -0.76 -1.87 113.70 117.38 1n9m s SER 93 Ca -0.00 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.07 1n9m s SER 93 Cb -0.13 -1.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 1n9m s SER 93 CO 0.02 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1n9m n GLY 94 N 3.96 1.41 3.10 9.45 0.00 -0.88 -1.80 105.19 120.42 1n9m n GLY 94 Ca -0.20 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 1n9m n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1n9m s GLN 95 N 1.53 0.26 -0.09 1.61 -2.07 -0.86 -2.22 119.66 117.82 1n9m s GLN 95 Ca 0.00 0.31 -0.30 0.00 -1.82 0.00 0.00 55.36 53.55 1n9m s GLN 95 Cb 0.00 0.13 -0.01 0.00 -1.09 0.00 0.00 33.01 32.03 1n9m s GLN 95 CO 0.00 -0.03 1.01 -0.47 -1.32 0.00 0.00 175.29 174.48 1n9m s TYR 96 N 0.12 3.52 -0.27 9.60 5.04 -0.58 -1.90 117.35 132.88 1n9m s TYR 96 Ca -0.00 1.60 -0.02 0.00 -2.44 0.00 0.00 57.07 56.20 1n9m s TYR 96 Cb -0.02 -3.19 0.03 0.00 0.35 0.00 0.00 41.96 39.14 1n9m s TYR 96 CO 0.00 -0.23 -0.03 0.08 -1.34 0.00 0.00 175.55 174.04 1n9m s VAL 97 N 1.90 3.03 0.73 3.14 1.01 -0.03 -1.47 120.40 128.70 1n9m s VAL 97 Ca 0.49 -1.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 1n9m s VAL 97 Cb -0.19 -2.61 0.18 0.00 0.00 0.00 0.00 36.38 33.76 1n9m s VAL 97 CO 0.19 0.08 0.72 0.61 0.00 0.00 0.00 175.10 176.70 1n9m n GLY 98 N 4.67 -2.36 0.00 4.51 0.00 -1.26 -2.25 105.19 108.50 1n9m n GLY 98 Ca -0.15 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1n9m n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n9m n GLY 99 N -1.68 0.91 0.27 -0.02 0.00 -1.26 -4.66 105.19 98.75 1n9m n GLY 99 Ca 0.10 -2.19 0.15 0.00 0.00 0.00 0.00 46.02 44.07 1n9m n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9m h ALA 100 N 0.00 1.10 -2.57 4.61 0.00 -2.07 -3.13 119.26 117.20 1n9m h ALA 100 Ca 0.00 -0.09 -0.60 0.00 0.00 0.00 0.00 54.91 54.22 1n9m h ALA 100 Cb 0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 17.79 17.36 1n9m h ALA 100 CO 0.00 0.12 -0.67 -1.91 0.00 0.00 0.00 179.25 176.79 1n9m n GLU 101 N -3.34 1.83 -1.75 0.00 4.07 -1.26 -5.10 120.64 115.09 1n9m n GLU 101 Ca -0.01 -4.31 -0.39 0.00 -0.06 0.00 0.00 57.16 52.39 1n9m n GLU 101 Cb 0.28 -2.11 0.03 0.00 -0.06 0.00 0.00 31.44 29.58 1n9m n GLU 101 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1n9m n ALA 102 N 1.57 1.75 -2.71 4.31 0.00 -1.19 -4.99 120.51 119.26 1n9m n ALA 102 Ca 0.25 0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.80 1n9m n ALA 102 Cb 0.40 -2.36 -0.10 0.00 0.00 0.00 0.00 19.45 17.39 1n9m n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1n9m s ARG 103 N -2.62 0.44 -0.17 0.00 0.52 -0.95 -4.46 118.95 111.71 1n9m s ARG 103 Ca 0.66 -0.79 0.01 0.00 -0.52 0.00 0.00 55.73 55.09 1n9m s ARG 103 Cb -0.44 0.16 0.02 0.00 0.52 0.00 0.00 34.95 35.21 1n9m s ARG 103 CO 0.54 -0.09 -0.17 0.42 0.02 0.00 0.00 175.30 176.02 1n9m s ILE 104 N -2.30 1.85 -0.22 1.52 1.01 -0.71 -0.85 121.20 121.50 1n9m s ILE 104 Ca -0.08 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 59.69 1n9m s ILE 104 Cb -0.04 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 1n9m s ILE 104 CO -0.04 0.50 0.06 0.20 0.00 0.00 0.00 174.94 175.66 1n9m s ASN 105 N 1.37 5.23 0.19 3.58 0.01 -0.80 -1.42 114.94 123.11 1n9m s ASN 105 Ca 0.05 -0.12 0.03 0.00 -0.71 0.00 0.00 52.86 52.11 1n9m s ASN 105 Cb -0.13 -1.92 -0.05 0.00 0.41 0.00 0.00 41.25 39.56 1n9m s ASN 105 CO -0.12 0.04 -0.03 0.42 -1.51 0.00 0.00 177.10 175.90 1n9m s THR 106 N 1.17 0.94 0.12 1.60 -4.23 -0.47 -2.02 115.64 112.75 1n9m s THR 106 Ca 0.04 -2.02 0.09 0.00 -1.18 0.00 0.00 61.69 58.62 1n9m s THR 106 Cb -0.14 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 1n9m s THR 106 CO 0.03 -0.49 -0.21 -1.10 -0.54 0.00 0.00 174.62 172.31 1n9m s GLN 107 N -3.85 1.18 0.04 3.99 -0.21 -0.75 -2.63 119.66 117.43 1n9m s GLN 107 Ca 0.24 -1.22 -0.02 0.00 0.02 0.00 0.00 55.36 54.37 1n9m s GLN 107 Cb 0.05 -1.43 -0.02 0.00 1.00 0.00 0.00 33.01 32.61 1n9m s GLN 107 CO 0.05 0.33 0.02 1.67 -2.12 0.00 0.00 175.29 175.23 1n9m s TRP 108 N -1.30 0.33 -0.15 0.91 1.48 -0.16 -1.83 118.94 118.23 1n9m s TRP 108 Ca 0.09 -0.71 0.00 0.00 -1.06 0.00 0.00 56.10 54.42 1n9m s TRP 108 Cb -0.09 -0.24 0.02 0.00 -1.16 0.00 0.00 33.47 32.00 1n9m s TRP 108 CO 0.05 -0.33 -0.13 -0.51 -4.06 0.00 0.00 176.95 171.97 1n9m s LEU 109 N -2.24 1.65 -0.35 -4.66 1.43 -1.02 -1.81 118.68 111.68 1n9m s LEU 109 Ca -0.04 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.53 1n9m s LEU 109 Cb -0.00 -1.14 0.06 0.00 0.03 0.00 0.00 46.19 45.14 1n9m s LEU 109 CO -0.06 -0.07 0.11 -0.22 0.23 0.00 0.00 176.35 176.35 1n9m s LEU 110 N 1.51 4.45 -0.20 1.79 2.96 -0.21 -1.77 118.68 127.21 1n9m s LEU 110 Ca 0.05 -1.36 -0.08 0.00 -0.22 0.00 0.00 54.13 52.52 1n9m s LEU 110 Cb -0.13 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1n9m s LEU 110 CO -0.10 -0.37 0.09 -0.89 -1.32 0.00 0.00 176.35 173.76 1n9m s THR 111 N 1.33 4.93 -0.03 3.68 2.01 -0.66 -1.04 115.64 125.85 1n9m s THR 111 Ca -0.01 0.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.99 1n9m s THR 111 Cb -0.20 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 1n9m s THR 111 CO 0.01 0.42 0.15 -0.44 -0.69 0.00 0.00 174.62 174.07 1n9m s SER 112 N 0.62 6.21 0.27 3.53 0.01 -0.65 -1.55 113.70 122.14 1n9m s SER 112 Ca 0.05 0.33 -0.30 0.00 1.31 0.00 0.00 55.95 57.34 1n9m s SER 112 Cb -0.13 -1.93 -0.10 0.00 0.21 0.00 0.00 66.02 64.07 1n9m s SER 112 CO 0.01 0.30 1.40 -0.83 0.41 0.00 0.00 173.24 174.53 1n9m s GLY 113 N -1.69 2.52 0.11 3.44 0.00 -0.48 -4.84 107.32 106.39 1n9m s GLY 113 Ca 0.24 1.31 -0.01 0.00 0.00 0.00 0.00 44.72 46.26 1n9m s GLY 113 CO 0.14 2.18 0.03 -0.51 0.00 0.00 0.00 173.10 174.95 1n9m s THR 114 N -0.32 0.15 0.87 0.90 -4.23 -1.26 -5.02 115.64 106.74 1n9m s THR 114 Ca 0.56 -1.89 -0.10 0.00 -1.18 0.00 0.00 61.69 59.08 1n9m s THR 114 Cb -0.41 -1.93 0.12 0.00 1.34 0.00 0.00 72.50 71.61 1n9m s THR 114 CO 0.46 -0.58 1.13 0.42 -0.54 0.00 0.00 174.62 175.51 1n9m s THR 115 N -4.00 2.45 0.32 3.99 -4.23 -1.26 -4.89 115.64 108.01 1n9m s THR 115 Ca 0.20 0.14 0.19 0.00 -1.18 0.00 0.00 61.69 61.05 1n9m s THR 115 Cb 0.08 -2.31 0.17 0.00 1.34 0.00 0.00 72.50 71.77 1n9m s THR 115 CO -0.01 -0.19 1.87 1.05 -0.54 0.00 0.00 174.62 176.80 1n9m h GLU 116 N -1.66 0.00 0.00 3.99 4.11 -2.01 -2.28 114.58 116.74 1n9m h GLU 116 Ca -0.43 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.96 1n9m h GLU 116 Cb 1.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1n9m h GLU 116 CO 0.45 0.29 -0.16 0.00 0.07 0.00 0.00 179.01 179.65 1n9m h ALA 117 N 1.71 1.28 -0.62 1.06 0.00 -2.07 -2.50 119.26 118.13 1n9m h ALA 117 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1n9m h ALA 117 Cb 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1n9m h ALA 117 CO 0.04 0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.58 1n9m n ASN 118 N -3.70 4.44 0.29 0.00 3.02 -0.88 -4.60 115.26 113.83 1n9m n ASN 118 Ca -0.02 -2.36 0.16 0.00 -0.03 0.00 0.00 54.58 52.33 1n9m n ASN 118 Cb 0.28 -0.53 0.86 0.00 -0.61 0.00 0.00 39.78 39.78 1n9m n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n9m h ALA 119 N 3.84 1.20 0.00 5.41 0.00 -1.21 -2.41 119.26 126.09 1n9m h ALA 119 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1n9m h ALA 119 Cb 1.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1n9m h ALA 119 CO 0.17 0.08 -0.13 0.11 0.00 0.00 0.00 179.25 179.48 1n9m h TRP 120 N 0.00 0.00 -0.62 0.00 5.08 -1.83 -2.77 115.95 115.81 1n9m h TRP 120 Ca -0.00 0.00 -0.28 0.00 1.08 0.00 0.00 58.89 59.69 1n9m h TRP 120 Cb 0.25 0.00 -0.17 0.00 -3.00 0.00 0.00 29.16 26.24 1n9m h TRP 120 CO 0.00 0.13 0.23 0.36 -1.28 0.00 0.00 178.44 177.87 1n9m n LYS 121 N -3.32 2.41 0.15 0.12 2.85 -0.91 -4.72 118.16 114.74 1n9m n LYS 121 Ca -0.00 -3.08 0.13 0.00 -1.05 0.00 0.00 58.31 54.30 1n9m n LYS 121 Cb 0.34 -2.01 0.29 0.00 -0.65 0.00 0.00 35.03 33.00 1n9m n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1n9m h SER 122 N 1.38 0.00 -3.24 -5.58 4.64 -1.57 -3.47 113.55 105.71 1n9m h SER 122 Ca 0.34 -0.01 -0.54 0.00 -0.47 0.00 0.00 61.79 61.11 1n9m h SER 122 Cb 2.15 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.88 1n9m h SER 122 CO 0.67 0.00 -0.81 -0.89 -0.87 0.00 0.00 176.83 174.93 1n9m s THR 123 N -3.16 1.17 0.15 2.95 2.01 -1.26 -1.64 115.64 115.87 1n9m s THR 123 Ca 0.09 -0.41 -0.08 0.00 0.31 0.00 0.00 61.69 61.59 1n9m s THR 123 Cb 0.09 -1.13 -0.06 0.00 0.01 0.00 0.00 72.50 71.41 1n9m s THR 123 CO 0.64 0.38 0.44 -0.76 -0.69 0.00 0.00 174.62 174.63 1n9m s LEU 124 N 1.35 4.26 -0.00 4.42 1.43 -0.21 -4.92 118.68 125.01 1n9m s LEU 124 Ca -0.01 0.76 0.06 0.00 -1.03 0.00 0.00 54.13 53.91 1n9m s LEU 124 Cb -0.14 -3.34 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 1n9m s LEU 124 CO -0.05 0.05 -0.20 0.54 0.23 0.00 0.00 176.35 176.92 1n9m s VAL 125 N -1.63 1.57 0.00 -1.59 0.11 -1.26 -1.05 120.40 116.55 1n9m s VAL 125 Ca 0.41 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.55 1n9m s VAL 125 Cb -0.12 -1.32 0.00 0.00 -1.53 0.00 0.00 36.38 33.41 1n9m s VAL 125 CO 0.22 0.39 0.00 0.61 -3.33 0.00 0.00 175.10 172.99 1n9m n GLY 126 N 2.44 2.32 3.04 6.54 0.00 -0.75 -4.99 105.19 113.78 1n9m n GLY 126 Ca -0.15 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 1n9m n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1n9m s HIS 127 N -7.10 -0.25 -0.04 1.61 -3.43 -1.26 -0.99 115.29 103.83 1n9m s HIS 127 Ca 0.00 0.62 0.05 0.00 -0.80 0.00 0.00 55.06 54.93 1n9m s HIS 127 Cb 0.00 0.03 -0.01 0.00 -1.43 0.00 0.00 32.58 31.17 1n9m s HIS 127 CO 0.00 -0.17 -0.19 -0.51 -2.00 0.00 0.00 174.74 171.87 1n9m s ASP 128 N 0.80 2.39 -0.13 7.38 1.01 -1.08 -4.99 116.67 122.05 1n9m s ASP 128 Ca -0.06 -0.39 -0.00 0.00 0.71 0.00 0.00 52.55 52.81 1n9m s ASP 128 Cb -0.07 -0.57 -0.02 0.00 1.01 0.00 0.00 42.92 43.27 1n9m s ASP 128 CO -0.05 0.19 -0.12 -0.89 0.21 0.00 0.00 175.17 174.52 1n9m s THR 129 N -0.12 3.13 0.01 -1.27 2.01 -1.26 -1.37 115.64 116.77 1n9m s THR 129 Ca -0.01 -0.64 0.07 0.00 0.31 0.00 0.00 61.69 61.42 1n9m s THR 129 Cb -0.11 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 1n9m s THR 129 CO 0.02 0.53 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.91 1n9m s PHE 130 N 0.28 2.51 0.09 4.92 0.08 -0.51 -3.53 117.98 121.83 1n9m s PHE 130 Ca -0.09 -0.29 0.02 0.00 0.12 0.00 0.00 56.93 56.69 1n9m s PHE 130 Cb -0.15 -1.49 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 1n9m s PHE 130 CO 0.05 0.17 -0.07 0.95 -0.10 0.00 0.00 175.22 176.22 1n9m s THR 131 N -0.81 0.72 -2.51 0.64 -4.23 -0.76 -1.73 115.64 106.96 1n9m s THR 131 Ca 0.13 -1.82 0.28 0.00 -1.18 0.00 0.00 61.69 59.10 1n9m s THR 131 Cb -0.10 -1.54 0.54 0.00 1.34 0.00 0.00 72.50 72.74 1n9m s THR 131 CO 0.03 -0.78 1.73 0.29 -0.54 0.00 0.00 174.62 175.35