#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9m n GLU 14 N 0.00 0.47 -3.76 0.00 1.02 -1.26 -4.54 120.64 112.57 1n9m n GLU 14 Ca 0.00 -0.14 -0.16 0.00 -0.02 0.00 0.00 57.16 56.84 1n9m n GLU 14 Cb 0.00 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 29.85 1n9m n GLU 14 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n9m n ALA 15 N -2.02 0.53 0.00 0.62 0.00 -1.26 -4.86 120.51 113.52 1n9m n ALA 15 Ca -0.01 -1.53 0.00 0.00 0.00 0.00 0.00 53.44 51.90 1n9m n ALA 15 Cb 0.49 1.19 0.00 0.00 0.00 0.00 0.00 19.45 21.13 1n9m n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n9m n GLY 16 N -0.40 1.48 0.33 0.00 0.00 -1.26 -3.32 105.19 102.02 1n9m n GLY 16 Ca 0.04 -0.78 -0.01 0.00 0.00 0.00 0.00 46.02 45.27 1n9m n GLY 16 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1n9m h ILE 17 N 0.00 1.21 -2.79 -0.61 2.04 -1.97 -3.43 117.51 111.95 1n9m h ILE 17 Ca 0.00 -0.58 -0.52 0.00 1.00 0.00 0.00 64.86 64.76 1n9m h ILE 17 Cb 0.00 0.37 0.06 0.00 -0.74 0.00 0.00 36.82 36.51 1n9m h ILE 17 CO 0.00 0.24 0.97 -0.89 0.00 0.00 0.00 178.15 178.47 1n9m s THR 18 N -5.54 2.14 -5.00 -0.27 2.01 -1.21 -4.85 115.64 102.92 1n9m s THR 18 Ca -0.10 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1n9m s THR 18 Cb 0.17 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.61 1n9m s THR 18 CO 0.79 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.34 1n9m n GLY 19 N 3.68 -0.96 3.53 4.40 0.00 -0.73 -4.54 105.19 110.57 1n9m n GLY 19 Ca 0.14 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.39 4.86 0.09 2.61 2.01 -1.26 -2.03 115.64 119.53 1n9m s THR 20 Ca 0.00 0.01 0.09 0.00 0.31 0.00 0.00 61.69 62.10 1n9m s THR 20 Cb 0.00 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 1n9m s THR 20 CO 0.00 0.30 -0.20 0.26 -0.69 0.00 0.00 174.62 174.29 1n9m s TRP 21 N 1.63 2.49 -0.01 4.92 0.52 -0.17 -4.60 118.94 123.72 1n9m s TRP 21 Ca 0.07 -0.29 0.04 0.00 0.02 0.00 0.00 56.10 55.94 1n9m s TRP 21 Cb -0.15 -1.37 -0.01 0.00 -1.15 0.00 0.00 33.47 30.79 1n9m s TRP 21 CO 0.07 0.32 -0.15 0.71 0.02 0.00 0.00 176.95 177.93 1n9m s TYR 22 N -1.04 1.30 0.32 -1.98 2.02 -0.51 -1.12 117.35 116.35 1n9m s TYR 22 Ca 0.16 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.63 1n9m s TYR 22 Cb -0.10 -0.84 0.02 0.00 -0.40 0.00 0.00 41.96 40.63 1n9m s TYR 22 CO 0.07 -0.02 0.13 0.27 -1.57 0.00 0.00 175.55 174.43 1n9m n ASN 23 N 2.73 2.46 0.00 2.29 0.23 -1.23 -1.61 115.26 120.13 1n9m n ASN 23 Ca -0.14 -2.26 0.11 0.00 -0.53 0.00 0.00 54.58 51.75 1n9m n ASN 23 Cb 0.55 0.10 0.54 0.00 -2.08 0.00 0.00 39.78 38.89 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 -1.04 0.24 -0.31 -3.83 0.00 -1.24 -2.67 117.38 108.52 1n9m n GLN 24 Ca -0.07 0.09 0.08 0.00 0.00 0.00 0.00 57.00 57.09 1n9m n GLN 24 Cb 0.39 -1.50 0.23 0.00 0.00 0.00 0.00 30.24 29.36 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 -1.34 3.51 0.00 2.61 4.77 -1.26 -4.99 117.00 120.31 1n9m n LEU 25 Ca 0.09 -2.22 0.00 0.00 -0.03 0.00 0.00 56.01 53.86 1n9m n LEU 25 Cb 0.20 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1n9m n LEU 25 CO 0.18 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 1n9m n GLY 26 N 0.64 0.51 3.85 -0.72 0.00 -1.09 -4.42 105.19 103.96 1n9m n GLY 26 Ca 0.17 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.00 2.97 -0.18 4.61 0.00 -1.26 -4.42 121.76 121.48 1n9m s ALA 27 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 51.96 51.98 1n9m s ALA 27 Cb 0.00 -3.12 0.03 0.00 0.00 0.00 0.00 23.12 20.04 1n9m s ALA 27 CO 0.00 -0.78 -0.13 0.99 0.00 0.00 0.00 175.76 175.84 1n9m s THR 28 N -3.05 1.71 -0.33 0.00 2.01 -0.68 -3.48 115.64 111.83 1n9m s THR 28 Ca 0.57 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 61.65 1n9m s THR 28 Cb -0.12 -1.69 0.07 0.00 0.01 0.00 0.00 72.50 70.77 1n9m s THR 28 CO 0.51 0.31 0.05 0.12 -0.69 0.00 0.00 174.62 174.93 1n9m s PHE 29 N 1.39 3.38 -0.29 4.92 5.36 -0.27 -1.83 117.98 130.64 1n9m s PHE 29 Ca 0.01 -2.10 -0.06 0.00 -0.96 0.00 0.00 56.93 53.82 1n9m s PHE 29 Cb -0.15 -2.45 0.01 0.00 -0.34 0.00 0.00 43.02 40.09 1n9m s PHE 29 CO -0.10 -0.86 0.07 0.42 -1.46 0.00 0.00 175.22 173.29 1n9m s ILE 30 N 1.20 3.88 0.00 3.12 1.01 -0.37 -1.00 121.20 129.04 1n9m s ILE 30 Ca -0.01 -0.69 -0.00 0.00 0.00 0.00 0.00 60.65 59.95 1n9m s ILE 30 Cb -0.20 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.28 1n9m s ILE 30 CO -0.02 0.11 -0.01 0.54 0.00 0.00 0.00 174.94 175.56 1n9m s VAL 31 N 1.49 0.03 -0.13 2.92 0.11 -0.86 -1.15 120.40 122.81 1n9m s VAL 31 Ca 0.03 -0.25 0.03 0.00 -2.93 0.00 0.00 61.98 58.85 1n9m s VAL 31 Cb -0.17 -0.08 0.01 0.00 -1.53 0.00 0.00 36.38 34.60 1n9m s VAL 31 CO 0.02 -0.14 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.54 1n9m s THR 32 N -0.41 2.13 -0.38 5.04 2.01 -0.12 -1.78 115.64 122.13 1n9m s THR 32 Ca -0.04 -0.97 -0.17 0.00 0.31 0.00 0.00 61.69 60.82 1n9m s THR 32 Cb -0.03 -1.84 0.00 0.00 0.01 0.00 0.00 72.50 70.64 1n9m s THR 32 CO -0.00 0.55 0.42 0.00 -0.69 0.00 0.00 174.62 174.90 1n9m s ALA 33 N 0.66 3.46 0.55 7.40 0.00 -1.26 -2.05 121.76 130.52 1n9m s ALA 33 Ca -0.11 -1.30 -0.11 0.00 0.00 0.00 0.00 51.96 50.45 1n9m s ALA 33 Cb -0.16 -2.96 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 1n9m s ALA 33 CO 0.02 -1.32 0.94 0.20 0.00 0.00 0.00 175.76 175.60 1n9m s GLY 34 N 1.78 1.73 0.65 0.00 0.00 0.20 -3.34 107.32 108.34 1n9m s GLY 34 Ca 0.13 -0.14 0.40 0.00 0.00 0.00 0.00 44.72 45.11 1n9m s GLY 34 CO 0.13 0.09 2.30 0.00 0.00 0.00 0.00 173.10 175.62 1n9m h ALA 35 N 0.19 1.15 -0.01 3.20 0.00 -1.96 -2.44 119.26 119.40 1n9m h ALA 35 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1n9m h ALA 35 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1n9m h ALA 35 CO 0.62 -0.05 -0.06 -0.40 0.00 0.00 0.00 179.25 179.36 1n9m n ASP 36 N -3.21 0.90 0.00 0.00 5.75 -1.26 -4.93 116.55 113.80 1n9m n ASP 36 Ca -0.03 -1.12 0.00 0.00 -0.01 0.00 0.00 54.79 53.64 1n9m n ASP 36 Cb 0.12 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 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 1.18 0.45 3.85 6.12 0.00 -0.92 -5.03 105.19 110.84 1n9m n GLY 37 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.12 3.49 -0.12 4.61 0.00 -1.26 -1.83 121.76 124.53 1n9m s ALA 38 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.85 1n9m s ALA 38 Cb 0.00 -2.58 -0.02 0.00 0.00 0.00 0.00 23.12 20.52 1n9m s ALA 38 CO 0.00 0.43 -0.13 -0.51 0.00 0.00 0.00 175.76 175.55 1n9m s LEU 39 N -2.59 2.74 0.02 0.00 1.43 -0.65 -0.63 118.68 119.01 1n9m s LEU 39 Ca 0.47 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 1n9m s LEU 39 Cb -0.12 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 1n9m s LEU 39 CO 0.20 0.20 -0.04 -0.89 0.23 0.00 0.00 176.35 176.05 1n9m s THR 40 N 0.16 0.21 -4.41 5.49 2.01 -0.87 -1.76 115.64 116.48 1n9m s THR 40 Ca -0.07 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.21 1n9m s THR 40 Cb -0.15 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.06 1n9m s THR 40 CO 0.05 -0.33 0.00 0.61 -0.69 0.00 0.00 174.62 174.26 1n9m n GLY 41 N 1.96 -0.52 3.22 4.40 0.00 -1.16 -0.95 105.19 112.14 1n9m n GLY 41 Ca -0.21 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.68 1.27 -0.04 2.61 -4.23 -0.30 -2.17 115.64 109.10 1n9m s THR 42 Ca 0.00 -1.59 0.04 0.00 -1.18 0.00 0.00 61.69 58.95 1n9m s THR 42 Cb 0.00 -1.40 -0.00 0.00 1.34 0.00 0.00 72.50 72.44 1n9m s THR 42 CO 0.00 -0.35 -0.15 -0.47 -0.54 0.00 0.00 174.62 173.11 1n9m s TYR 43 N -1.86 1.51 -0.14 3.99 6.14 -0.28 -1.23 117.35 125.47 1n9m s TYR 43 Ca 0.06 -0.43 -0.00 0.00 0.64 0.00 0.00 57.07 57.33 1n9m s TYR 43 Cb -0.06 -1.03 0.03 0.00 0.42 0.00 0.00 41.96 41.32 1n9m s TYR 43 CO 0.03 -0.16 -0.07 -2.00 0.64 0.00 0.00 175.55 173.99 1n9m s GLU 44 N 0.11 1.56 -0.01 4.97 2.12 -0.76 -1.00 118.70 125.69 1n9m s GLU 44 Ca -0.04 -0.37 -0.09 0.00 0.36 0.00 0.00 54.97 54.82 1n9m s GLU 44 Cb -0.11 -1.78 -0.05 0.00 0.26 0.00 0.00 34.13 32.45 1n9m s GLU 44 CO 0.02 -0.32 0.30 0.45 -0.54 0.00 0.00 175.26 175.17 1n9m s SER 45 N 1.66 6.58 0.00 -1.70 0.15 -1.26 -1.68 113.70 117.46 1n9m s SER 45 Ca 0.03 0.69 0.24 0.00 0.70 0.00 0.00 55.95 57.61 1n9m s SER 45 Cb -0.14 -2.14 0.36 0.00 -1.71 0.00 0.00 66.02 62.39 1n9m s SER 45 CO -0.08 0.29 1.36 0.00 1.20 0.00 0.00 173.24 176.01 1n9m n ALA 46 N 1.45 2.45 -2.24 5.45 0.00 -1.26 -4.78 120.51 121.58 1n9m n ALA 46 Ca -0.13 -0.83 -0.14 0.00 0.00 0.00 0.00 53.44 52.34 1n9m n ALA 46 Cb 0.53 -0.87 -0.10 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.73 1.02 0.00 0.00 -7.23 -1.26 -5.06 120.40 106.14 1n9m s VAL 47 Ca 0.34 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 1n9m s VAL 47 Cb 0.21 -1.90 0.00 0.00 0.56 0.00 0.00 36.38 35.26 1n9m s VAL 47 CO 0.31 -0.70 0.00 0.61 -0.31 0.00 0.00 175.10 175.01 1n9m n GLY 48 N -0.20 -2.18 3.26 2.32 0.00 -1.26 -4.55 105.19 102.58 1n9m n GLY 48 Ca -0.10 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 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 0.42 4.97 -3.68 1.61 5.15 -1.26 -4.88 115.26 117.58 1n9m n ASN 49 Ca 0.00 -2.98 -0.13 0.00 -0.60 0.00 0.00 54.58 50.87 1n9m n ASN 49 Cb 0.00 -1.60 -0.09 0.00 -0.53 0.00 0.00 39.78 37.56 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 2.07 -1.39 -0.10 5.20 0.00 -1.26 -4.60 121.76 121.68 1n9m s ALA 50 Ca 0.45 1.62 -0.09 0.00 0.00 0.00 0.00 51.96 53.94 1n9m s ALA 50 Cb 0.04 -0.94 0.03 0.00 0.00 0.00 0.00 23.12 22.24 1n9m s ALA 50 CO 0.01 -0.27 0.27 -1.83 0.00 0.00 0.00 175.76 173.93 1n9m s GLU 51 N 0.42 0.30 2.78 0.00 -1.05 -1.26 -4.91 118.70 114.97 1n9m s GLU 51 Ca -0.01 0.40 0.00 0.00 -0.15 0.00 0.00 54.97 55.21 1n9m s GLU 51 Cb -0.04 0.11 0.00 0.00 -0.44 0.00 0.00 34.13 33.76 1n9m s GLU 51 CO -0.01 -0.06 0.00 0.45 0.95 0.00 0.00 175.26 176.59 1n9m n SER 52 N 3.15 -2.28 -4.85 0.83 2.88 -1.26 -4.88 113.62 107.21 1n9m n SER 52 Ca -0.15 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.06 1n9m n SER 52 Cb 0.57 0.00 -0.06 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 3.93 0.09 -1.46 0.52 -1.26 -4.51 118.95 116.26 1n9m s ARG 53 Ca 0.00 0.46 0.08 0.00 -0.52 0.00 0.00 55.73 55.76 1n9m s ARG 53 Cb 0.00 -2.74 -0.03 0.00 0.52 0.00 0.00 34.95 32.69 1n9m s ARG 53 CO 0.00 0.36 -0.22 0.71 0.02 0.00 0.00 175.30 176.18 1n9m s TYR 54 N -1.68 1.86 0.31 -0.53 2.02 -0.17 -4.88 117.35 114.26 1n9m s TYR 54 Ca 0.44 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.45 1n9m s TYR 54 Cb -0.13 -1.04 -0.10 0.00 -0.40 0.00 0.00 41.96 40.29 1n9m s TYR 54 CO 0.20 0.19 1.27 0.08 -1.57 0.00 0.00 175.55 175.72 1n9m s VAL 55 N -1.06 2.92 0.13 0.71 1.01 -1.26 -1.13 120.40 121.72 1n9m s VAL 55 Ca 0.08 0.90 0.07 0.00 0.00 0.00 0.00 61.98 63.02 1n9m s VAL 55 Cb -0.10 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1n9m s VAL 55 CO 0.04 0.20 -0.15 -1.48 0.00 0.00 0.00 175.10 173.71 1n9m s LEU 56 N -1.51 2.41 0.03 3.92 0.05 -0.92 -4.46 118.68 118.19 1n9m s LEU 56 Ca 0.49 -0.82 -0.06 0.00 0.05 0.00 0.00 54.13 53.79 1n9m s LEU 56 Cb -0.38 -0.63 -0.01 0.00 -2.05 0.00 0.00 46.19 43.12 1n9m s LEU 56 CO 0.49 -0.11 0.11 0.28 -0.55 0.00 0.00 176.35 176.56 1n9m s THR 57 N -2.08 0.11 0.00 5.48 -1.32 -1.15 -2.98 115.64 113.69 1n9m s THR 57 Ca 0.10 -0.94 0.00 0.00 -1.21 0.00 0.00 61.69 59.64 1n9m s THR 57 Cb -0.05 -0.70 0.00 0.00 -1.51 0.00 0.00 72.50 70.24 1n9m s THR 57 CO 0.04 -0.52 0.00 0.61 -2.21 0.00 0.00 174.62 172.54 1n9m n GLY 58 N 1.04 1.78 3.08 6.08 0.00 -0.72 -1.66 105.19 114.79 1n9m n GLY 58 Ca -0.21 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 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 0.23 0.49 0.07 1.61 1.81 -0.85 -1.63 118.95 120.68 1n9m s ARG 59 Ca 0.00 -0.64 -0.00 0.00 -1.72 0.00 0.00 55.73 53.37 1n9m s ARG 59 Cb 0.00 0.19 -0.04 0.00 -0.45 0.00 0.00 34.95 34.65 1n9m s ARG 59 CO 0.00 -0.11 -0.03 1.52 -0.68 0.00 0.00 175.30 175.99 1n9m s TYR 60 N -2.06 0.66 -0.47 -0.53 1.13 -0.76 -2.02 117.35 113.29 1n9m s TYR 60 Ca -0.10 -1.04 -0.29 0.00 -1.41 0.00 0.00 57.07 54.24 1n9m s TYR 60 Cb -0.05 -0.44 0.02 0.00 -1.10 0.00 0.00 41.96 40.39 1n9m s TYR 60 CO -0.02 -0.32 1.34 0.34 -2.51 0.00 0.00 175.55 174.37 1n9m s ASP 61 N -2.97 6.36 0.00 -0.18 2.15 -0.71 -4.70 116.67 116.63 1n9m s ASP 61 Ca 0.10 0.57 0.29 0.00 0.43 0.00 0.00 52.55 53.93 1n9m s ASP 61 Cb 0.07 -2.54 1.37 0.00 -0.30 0.00 0.00 42.92 41.52 1n9m s ASP 61 CO -0.07 -1.46 1.92 -1.54 -0.17 0.00 0.00 175.17 173.84 1n9m n SER 62 N 8.76 0.88 -3.20 -0.34 3.41 -1.26 -4.06 113.62 117.81 1n9m n SER 62 Ca 0.14 -1.31 -0.23 0.00 -0.26 0.00 0.00 58.87 57.21 1n9m n SER 62 Cb 0.49 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.31 2.65 -0.86 7.33 0.00 -1.26 -5.08 120.51 122.98 1n9m n ALA 63 Ca 0.21 -3.64 -0.29 0.00 0.00 0.00 0.00 53.44 49.71 1n9m n ALA 63 Cb 0.25 -0.85 0.20 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.79 0.08 0.81 0.00 0.04 -1.26 -5.00 135.00 127.89 1n9m s PRO 64 Ca 0.38 0.84 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 1n9m s PRO 64 Cb 0.22 -1.67 0.09 0.00 0.04 0.00 0.00 34.50 33.17 1n9m s PRO 64 CO -0.09 -3.05 1.14 0.00 0.04 0.00 0.00 177.00 175.04 1n9m s ALA 65 N -2.71 1.92 -0.49 8.56 0.00 -1.26 -4.96 121.76 122.82 1n9m s ALA 65 Ca 0.66 0.56 0.15 0.00 0.00 0.00 0.00 51.96 53.33 1n9m s ALA 65 Cb -0.22 -3.39 0.56 0.00 0.00 0.00 0.00 23.12 20.07 1n9m s ALA 65 CO 0.60 -2.16 1.47 0.25 0.00 0.00 0.00 175.76 175.92 1n9m n THR 66 N -3.56 2.02 0.27 0.00 -2.24 -1.26 -4.53 114.28 104.98 1n9m n THR 66 Ca 0.11 -1.53 0.08 0.00 -2.27 0.00 0.00 64.05 60.45 1n9m n THR 66 Cb 0.52 -0.04 0.24 0.00 -2.10 0.00 0.00 70.33 68.95 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 0.12 2.92 0.00 3.42 5.75 -1.26 -4.90 116.55 122.60 1n9m n ASP 67 Ca 0.21 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 1n9m n ASP 67 Cb 0.84 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 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 1.32 0.55 3.76 6.12 0.00 -1.26 -5.09 105.19 110.59 1n9m n GLY 68 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.93 4.66 1.02 1.61 0.01 -1.26 -5.05 113.70 111.75 1n9m s SER 69 Ca 0.00 1.97 -0.13 0.00 1.31 0.00 0.00 55.95 59.10 1n9m s SER 69 Cb 0.00 -2.54 0.20 0.00 0.21 0.00 0.00 66.02 63.89 1n9m s SER 69 CO 0.00 -1.93 1.09 -0.83 0.41 0.00 0.00 173.24 171.98 1n9m s GLY 70 N -2.87 1.56 -0.32 3.44 0.00 -1.26 -4.85 107.32 103.02 1n9m s GLY 70 Ca 0.65 -0.40 -0.12 0.00 0.00 0.00 0.00 44.72 44.85 1n9m s GLY 70 CO 0.49 0.24 0.21 -1.59 0.00 0.00 0.00 173.10 172.44 1n9m s THR 71 N -2.96 5.14 0.28 0.90 2.01 -0.44 -4.79 115.64 115.79 1n9m s THR 71 Ca 0.66 -0.19 -0.29 0.00 0.31 0.00 0.00 61.69 62.17 1n9m s THR 71 Cb -0.19 -3.60 -0.10 0.00 0.01 0.00 0.00 72.50 68.62 1n9m s THR 71 CO 0.58 0.05 1.22 0.00 -0.69 0.00 0.00 174.62 175.78 1n9m s ALA 72 N 1.71 3.46 0.24 7.40 0.00 -1.26 -0.58 121.76 132.73 1n9m s ALA 72 Ca 0.06 1.07 -0.18 0.00 0.00 0.00 0.00 51.96 52.91 1n9m s ALA 72 Cb -0.17 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.55 1n9m s ALA 72 CO 0.10 -0.42 0.60 -0.48 0.00 0.00 0.00 175.76 175.56 1n9m s LEU 73 N -1.23 -0.06 -0.01 0.00 2.34 -0.82 -1.73 118.68 117.17 1n9m s LEU 73 Ca 0.49 -0.60 -0.29 0.00 0.06 0.00 0.00 54.13 53.79 1n9m s LEU 73 Cb -0.36 2.35 0.08 0.00 -0.56 0.00 0.00 46.19 47.70 1n9m s LEU 73 CO 0.45 -1.20 0.71 -0.83 -1.06 0.00 0.00 176.35 174.42 1n9m s GLY 74 N -2.92 -0.55 0.18 -3.48 0.00 -0.86 -2.05 107.32 97.65 1n9m s GLY 74 Ca 0.12 1.17 -0.13 0.00 0.00 0.00 0.00 44.72 45.88 1n9m s GLY 74 CO 0.03 0.72 0.39 0.66 0.00 0.00 0.00 173.10 174.91 1n9m s TRP 75 N -1.96 0.16 -0.02 1.90 -2.14 -0.98 -2.02 118.94 113.88 1n9m s TRP 75 Ca -0.06 -0.52 0.04 0.00 2.66 0.00 0.00 56.10 58.23 1n9m s TRP 75 Cb -0.00 0.15 -0.01 0.00 -3.10 0.00 0.00 33.47 30.51 1n9m s TRP 75 CO 0.02 -0.81 -0.14 0.99 -2.66 0.00 0.00 176.95 174.34 1n9m s THR 76 N -3.92 1.16 -0.12 0.66 2.01 -0.66 -1.38 115.64 113.38 1n9m s THR 76 Ca 0.13 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.55 1n9m s THR 76 Cb 0.01 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.54 1n9m s THR 76 CO -0.01 0.33 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.36 1n9m s VAL 77 N -0.21 2.30 -0.16 3.82 1.01 -0.73 -2.96 120.40 123.48 1n9m s VAL 77 Ca 0.03 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 60.93 1n9m s VAL 77 Cb -0.07 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1n9m s VAL 77 CO 0.00 0.54 0.38 0.00 0.00 0.00 0.00 175.10 176.02 1n9m s ALA 78 N 0.54 3.54 -0.55 5.51 0.00 -1.26 -1.37 121.76 128.17 1n9m s ALA 78 Ca -0.13 -0.38 -0.06 0.00 0.00 0.00 0.00 51.96 51.40 1n9m s ALA 78 Cb -0.17 -2.53 -0.06 0.00 0.00 0.00 0.00 23.12 20.36 1n9m s ALA 78 CO 0.04 -0.03 3.04 0.91 0.00 0.00 0.00 175.76 179.73 1n9m n TRP 79 N 3.81 1.27 -4.61 0.00 7.02 -0.33 -4.81 117.44 119.78 1n9m n TRP 79 Ca -0.09 -2.04 -0.32 0.00 -1.02 0.00 0.00 57.50 54.03 1n9m n TRP 79 Cb 0.52 -1.65 -0.17 0.00 -2.42 0.00 0.00 31.31 27.59 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 -0.25 2.87 0.00 -0.99 2.20 -1.26 -2.29 119.74 120.02 1n9m s LYS 80 Ca 0.62 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 1n9m s LYS 80 Cb 0.31 -2.34 0.00 0.00 -1.51 0.00 0.00 37.83 34.29 1n9m s LYS 80 CO -0.11 -0.03 0.00 0.27 -0.36 0.00 0.00 175.35 175.12 1n9m n ASN 81 N 4.12 0.06 0.00 1.43 0.23 -0.67 -4.83 115.26 115.59 1n9m n ASN 81 Ca -0.20 -0.40 0.09 0.00 -0.53 0.00 0.00 54.58 53.54 1n9m n ASN 81 Cb 0.51 0.00 0.43 0.00 -2.08 0.00 0.00 39.78 38.65 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 -1.19 0.00 -0.09 0.53 5.03 -1.26 -3.54 115.26 114.74 1n9m n ASN 82 Ca 0.00 0.35 -0.10 0.00 0.87 0.00 0.00 54.58 55.70 1n9m n ASN 82 Cb 0.00 -0.44 -0.14 0.00 -1.02 0.00 0.00 39.78 38.19 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 -1.44 0.00 -3.48 3.10 4.01 -1.26 -5.08 117.16 113.02 1n9m n TYR 83 Ca 0.06 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.69 1n9m n TYR 83 Cb 0.20 -0.88 -0.03 0.00 -0.31 0.00 0.00 39.34 38.33 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 -2.43 1.01 -0.17 -0.72 3.52 -1.23 -5.09 118.95 113.83 1n9m s ARG 84 Ca -0.12 -0.29 -0.04 0.00 -0.13 0.00 0.00 55.73 55.15 1n9m s ARG 84 Cb 0.06 0.47 0.06 0.00 -1.56 0.00 0.00 34.95 33.97 1n9m s ARG 84 CO 0.70 -0.43 0.06 1.21 -0.81 0.00 0.00 175.30 176.04 1n9m s ASN 85 N -2.38 2.45 0.00 -2.12 3.84 -1.26 -1.67 114.94 113.80 1n9m s ASN 85 Ca 0.01 -0.63 0.28 0.00 0.21 0.00 0.00 52.86 52.74 1n9m s ASN 85 Cb -0.01 -0.37 1.07 0.00 -0.55 0.00 0.00 41.25 41.39 1n9m s ASN 85 CO -0.08 -0.32 1.77 0.00 -2.79 0.00 0.00 177.10 175.67 1n9m n ALA 86 N 5.19 2.86 -3.59 1.71 0.00 -0.97 -4.98 120.51 120.73 1n9m n ALA 86 Ca -0.07 -0.29 -0.22 0.00 0.00 0.00 0.00 53.44 52.86 1n9m n ALA 86 Cb 0.48 -1.29 0.05 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.98 -2.03 -3.78 0.00 -0.00 -1.26 -4.87 115.22 102.30 1n9m n HIS 87 Ca 0.13 0.78 -0.09 0.00 -0.00 0.00 0.00 57.72 58.54 1n9m n HIS 87 Cb 0.30 -4.23 -0.03 0.00 -0.00 0.00 0.00 29.99 26.03 1n9m n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1n9m s SER 88 N -4.03 -0.26 -0.08 0.41 1.04 -1.26 -1.52 113.70 108.00 1n9m s SER 88 Ca 0.17 -0.54 -0.09 0.00 0.48 0.00 0.00 55.95 55.97 1n9m s SER 88 Cb -0.04 0.63 0.02 0.00 0.10 0.00 0.00 66.02 66.73 1n9m s SER 88 CO 0.80 -1.14 0.25 0.00 0.98 0.00 0.00 173.24 174.13 1n9m s ALA 89 N -3.90 -0.61 -0.04 5.32 0.00 -0.84 -1.19 121.76 120.51 1n9m s ALA 89 Ca 0.11 0.63 0.05 0.00 0.00 0.00 0.00 51.96 52.75 1n9m s ALA 89 Cb -0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1n9m s ALA 89 CO 0.01 -0.13 -0.18 0.99 0.00 0.00 0.00 175.76 176.44 1n9m s THR 90 N -0.06 2.72 -0.06 0.00 2.01 -0.47 -1.46 115.64 118.32 1n9m s THR 90 Ca -0.02 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 61.17 1n9m s THR 90 Cb -0.02 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 1n9m s THR 90 CO 0.01 0.59 -0.20 0.42 -0.69 0.00 0.00 174.62 174.75 1n9m s THR 91 N -0.67 2.55 -0.17 -0.82 -4.23 -0.76 -1.78 115.64 109.76 1n9m s THR 91 Ca 0.11 -0.89 -0.04 0.00 -1.18 0.00 0.00 61.69 59.68 1n9m s THR 91 Cb -0.10 -1.98 -0.03 0.00 1.34 0.00 0.00 72.50 71.73 1n9m s THR 91 CO 0.00 0.57 -0.02 0.26 -0.54 0.00 0.00 174.62 174.89 1n9m s TRP 92 N -0.30 3.05 -0.10 3.99 0.51 -0.48 -1.81 118.94 123.79 1n9m s TRP 92 Ca 0.01 -0.30 0.04 0.00 -2.12 0.00 0.00 56.10 53.73 1n9m s TRP 92 Cb -0.13 -2.00 0.00 0.00 -0.81 0.00 0.00 33.47 30.54 1n9m s TRP 92 CO 0.02 -0.06 -0.23 0.45 -0.51 0.00 0.00 176.95 176.62 1n9m s SER 93 N 0.50 3.03 0.00 2.95 0.15 0.14 -2.31 113.70 118.16 1n9m s SER 93 Ca -0.02 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.08 1n9m s SER 93 Cb -0.14 -1.38 0.00 0.00 -1.71 0.00 0.00 66.02 62.79 1n9m s SER 93 CO 0.02 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1n9m n GLY 94 N 3.54 1.13 3.08 9.45 0.00 -0.87 -1.48 105.19 120.03 1n9m n GLY 94 Ca -0.19 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 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 1.17 0.41 -0.09 1.61 -2.07 -0.93 -1.95 119.66 117.81 1n9m s GLN 95 Ca 0.00 -0.33 -0.19 0.00 -1.82 0.00 0.00 55.36 53.03 1n9m s GLN 95 Cb 0.00 0.17 -0.04 0.00 -1.09 0.00 0.00 33.01 32.05 1n9m s GLN 95 CO 0.00 -0.09 0.51 -0.47 -1.32 0.00 0.00 175.29 173.92 1n9m s TYR 96 N -1.15 3.55 -0.26 9.60 5.04 0.25 -1.90 117.35 132.47 1n9m s TYR 96 Ca -0.12 0.96 0.03 0.00 -2.44 0.00 0.00 57.07 55.49 1n9m s TYR 96 Cb -0.07 -2.57 0.07 0.00 0.35 0.00 0.00 41.96 39.74 1n9m s TYR 96 CO 0.01 0.21 -0.08 0.08 -1.34 0.00 0.00 175.55 174.43 1n9m s VAL 97 N 0.46 2.03 0.94 3.14 1.01 -0.37 -1.32 120.40 126.28 1n9m s VAL 97 Ca 0.27 -1.63 -0.15 0.00 0.00 0.00 0.00 61.98 60.48 1n9m s VAL 97 Cb -0.16 -2.21 0.17 0.00 0.00 0.00 0.00 36.38 34.18 1n9m s VAL 97 CO 0.12 -0.12 1.25 -0.83 0.00 0.00 0.00 175.10 175.52 1n9m s GLY 98 N 1.15 1.70 0.00 4.51 0.00 -1.26 -1.78 107.32 111.64 1n9m s GLY 98 Ca -0.06 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1n9m s GLY 98 CO -0.06 -0.30 0.00 0.61 0.00 0.00 0.00 173.10 173.36 1n9m n GLY 99 N -3.30 0.79 0.38 0.20 0.00 -1.26 -4.62 105.19 97.38 1n9m n GLY 99 Ca 0.13 -2.25 0.16 0.00 0.00 0.00 0.00 46.02 44.06 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 2.08 -1.97 4.61 0.00 -2.07 -2.30 119.26 119.61 1n9m h ALA 100 Ca 0.00 0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.30 1n9m h ALA 100 Cb 0.00 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 17.33 1n9m h ALA 100 CO 0.00 -0.32 -0.38 0.39 0.00 0.00 0.00 179.25 178.94 1n9m n GLU 101 N -4.51 3.55 -1.76 0.00 1.02 -1.26 -5.07 120.64 112.60 1n9m n GLU 101 Ca 0.17 -4.73 -0.40 0.00 -0.02 0.00 0.00 57.16 52.18 1n9m n GLU 101 Cb 0.57 -2.27 0.02 0.00 -0.02 0.00 0.00 31.44 29.74 1n9m n GLU 101 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n9m n ALA 102 N -0.28 2.08 -2.66 0.62 0.00 -0.87 -4.96 120.51 114.45 1n9m n ALA 102 Ca 0.35 0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.96 1n9m n ALA 102 Cb 0.42 -2.40 -0.11 0.00 0.00 0.00 0.00 19.45 17.36 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 -2.43 0.42 -0.26 0.00 1.81 -0.73 -4.43 118.95 113.33 1n9m s ARG 103 Ca 0.61 -0.83 -0.03 0.00 -1.72 0.00 0.00 55.73 53.75 1n9m s ARG 103 Cb -0.45 0.13 0.02 0.00 -0.45 0.00 0.00 34.95 34.20 1n9m s ARG 103 CO 0.58 -0.07 -0.02 0.42 -0.68 0.00 0.00 175.30 175.53 1n9m s ILE 104 N -2.34 3.25 -0.26 1.52 1.01 -0.90 -1.24 121.20 122.24 1n9m s ILE 104 Ca -0.08 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.63 1n9m s ILE 104 Cb -0.04 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 1n9m s ILE 104 CO -0.04 0.19 0.08 0.20 0.00 0.00 0.00 174.94 175.37 1n9m s ASN 105 N 1.39 5.17 0.11 3.58 0.01 -0.80 -1.60 114.94 122.80 1n9m s ASN 105 Ca 0.01 -0.30 0.03 0.00 -0.71 0.00 0.00 52.86 51.89 1n9m s ASN 105 Cb -0.17 -1.93 -0.04 0.00 0.41 0.00 0.00 41.25 39.53 1n9m s ASN 105 CO -0.02 -0.07 -0.08 0.42 -1.51 0.00 0.00 177.10 175.84 1n9m s THR 106 N 1.60 0.83 0.09 1.60 -4.23 -0.70 -2.19 115.64 112.64 1n9m s THR 106 Ca 0.06 -1.93 0.09 0.00 -1.18 0.00 0.00 61.69 58.72 1n9m s THR 106 Cb -0.16 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 71.97 1n9m s THR 106 CO 0.04 -0.81 -0.23 -1.10 -0.54 0.00 0.00 174.62 171.97 1n9m s GLN 107 N -3.71 1.33 0.06 3.99 -0.21 -0.55 -2.48 119.66 118.09 1n9m s GLN 107 Ca 0.12 -1.15 0.02 0.00 0.02 0.00 0.00 55.36 54.37 1n9m s GLN 107 Cb 0.04 -1.61 -0.03 0.00 1.00 0.00 0.00 33.01 32.41 1n9m s GLN 107 CO -0.03 0.39 -0.07 1.67 -2.12 0.00 0.00 175.29 175.13 1n9m s TRP 108 N -1.01 0.71 -0.12 0.91 1.48 -0.46 -0.68 118.94 119.77 1n9m s TRP 108 Ca 0.09 -0.69 0.01 0.00 -1.06 0.00 0.00 56.10 54.46 1n9m s TRP 108 Cb -0.10 -0.43 0.02 0.00 -1.16 0.00 0.00 33.47 31.80 1n9m s TRP 108 CO 0.04 -0.13 -0.15 -0.51 -4.06 0.00 0.00 176.95 172.14 1n9m s LEU 109 N -2.18 1.69 -0.34 -4.66 1.43 -0.75 -2.63 118.68 111.25 1n9m s LEU 109 Ca -0.02 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.60 1n9m s LEU 109 Cb -0.03 -1.11 0.06 0.00 0.03 0.00 0.00 46.19 45.14 1n9m s LEU 109 CO -0.02 -0.01 0.08 -0.22 0.23 0.00 0.00 176.35 176.41 1n9m s LEU 110 N 1.15 4.33 -0.23 1.79 2.96 -0.38 -1.83 118.68 126.47 1n9m s LEU 110 Ca -0.03 -1.37 -0.10 0.00 -0.22 0.00 0.00 54.13 52.41 1n9m s LEU 110 Cb -0.14 -1.80 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 1n9m s LEU 110 CO -0.04 -0.34 0.13 -0.89 -1.32 0.00 0.00 176.35 173.88 1n9m s THR 111 N 1.29 5.11 0.06 3.68 2.01 -0.54 -1.08 115.64 126.17 1n9m s THR 111 Ca -0.01 0.09 -0.12 0.00 0.31 0.00 0.00 61.69 61.96 1n9m s THR 111 Cb -0.20 -3.37 -0.06 0.00 0.01 0.00 0.00 72.50 68.88 1n9m s THR 111 CO -0.00 0.36 0.41 -0.44 -0.69 0.00 0.00 174.62 174.26 1n9m s SER 112 N 1.03 6.71 0.33 3.53 0.01 -0.60 -1.98 113.70 122.73 1n9m s SER 112 Ca 0.06 0.87 -0.29 0.00 1.31 0.00 0.00 55.95 57.91 1n9m s SER 112 Cb -0.14 -2.21 -0.10 0.00 0.21 0.00 0.00 66.02 63.78 1n9m s SER 112 CO 0.04 0.22 1.33 -0.83 0.41 0.00 0.00 173.24 174.41 1n9m s GLY 113 N -1.52 2.94 0.11 3.44 0.00 -0.58 -4.86 107.32 106.86 1n9m s GLY 113 Ca 0.30 1.29 -0.04 0.00 0.00 0.00 0.00 44.72 46.27 1n9m s GLY 113 CO 0.16 1.97 0.10 -0.51 0.00 0.00 0.00 173.10 174.82 1n9m s THR 114 N -1.04 0.13 0.87 0.90 -4.23 -1.26 -5.02 115.64 105.99 1n9m s THR 114 Ca 0.50 -1.65 -0.10 0.00 -1.18 0.00 0.00 61.69 59.25 1n9m s THR 114 Cb -0.40 -1.74 0.12 0.00 1.34 0.00 0.00 72.50 71.82 1n9m s THR 114 CO 0.53 -0.61 1.12 0.42 -0.54 0.00 0.00 174.62 175.53 1n9m s THR 115 N -3.96 2.58 0.40 3.99 -4.23 -1.26 -4.89 115.64 108.27 1n9m s THR 115 Ca 0.15 0.19 0.06 0.00 -1.18 0.00 0.00 61.69 60.91 1n9m s THR 115 Cb 0.06 -2.42 0.25 0.00 1.34 0.00 0.00 72.50 71.73 1n9m s THR 115 CO -0.04 -0.25 2.03 -0.33 -0.54 0.00 0.00 174.62 175.49 1n9m h GLU 116 N -1.61 0.55 -0.19 3.99 5.08 -2.01 -2.36 114.58 118.03 1n9m h GLU 116 Ca -0.45 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 57.82 1n9m h GLU 116 Cb 1.26 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1n9m h GLU 116 CO 0.47 0.39 -0.12 0.00 -1.00 0.00 0.00 179.01 178.75 1n9m h ALA 117 N 1.70 1.45 -0.60 3.43 0.00 -2.07 -2.94 119.26 120.24 1n9m h ALA 117 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1n9m h ALA 117 Cb -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1n9m h ALA 117 CO -0.03 0.38 0.00 0.09 0.00 0.00 0.00 179.25 179.70 1n9m n ASN 118 N -4.26 4.03 0.23 0.00 3.02 -0.90 -4.58 115.26 112.80 1n9m n ASN 118 Ca -0.00 -2.27 0.06 0.00 -0.03 0.00 0.00 54.58 52.34 1n9m n ASN 118 Cb 0.27 -0.51 0.52 0.00 -0.61 0.00 0.00 39.78 39.45 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 4.05 1.65 -0.37 5.41 0.00 -1.33 -1.97 119.26 126.71 1n9m h ALA 119 Ca 0.00 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.85 1n9m h ALA 119 Cb 1.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1n9m h ALA 119 CO 0.14 0.23 0.28 0.11 0.00 0.00 0.00 179.25 180.02 1n9m h TRP 120 N 0.00 0.00 -0.48 0.00 5.08 -1.84 -2.31 115.95 116.41 1n9m h TRP 120 Ca -0.00 0.00 -0.25 0.00 1.08 0.00 0.00 58.89 59.72 1n9m h TRP 120 Cb 0.33 0.00 -0.15 0.00 -3.00 0.00 0.00 29.16 26.35 1n9m h TRP 120 CO 0.00 0.00 0.06 0.36 -1.28 0.00 0.00 178.44 177.58 1n9m n LYS 121 N -4.28 1.93 0.17 0.12 2.85 -0.74 -4.73 118.16 113.49 1n9m n LYS 121 Ca 0.06 -3.16 0.12 0.00 -1.05 0.00 0.00 58.31 54.28 1n9m n LYS 121 Cb 0.46 -1.89 0.21 0.00 -0.65 0.00 0.00 35.03 33.17 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 1.02 0.00 -3.18 -5.58 4.64 -1.48 -3.47 113.55 105.50 1n9m h SER 122 Ca 0.30 -0.01 -0.56 0.00 -0.47 0.00 0.00 61.79 61.05 1n9m h SER 122 Cb 1.90 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.63 1n9m h SER 122 CO 0.53 0.01 -0.82 -0.89 -0.87 0.00 0.00 176.83 174.79 1n9m s THR 123 N -3.20 1.27 0.08 2.95 2.01 -1.26 -1.56 115.64 115.93 1n9m s THR 123 Ca 0.07 -0.45 -0.08 0.00 0.31 0.00 0.00 61.69 61.53 1n9m s THR 123 Cb 0.08 -1.23 -0.06 0.00 0.01 0.00 0.00 72.50 71.30 1n9m s THR 123 CO 0.67 0.41 0.37 -0.76 -0.69 0.00 0.00 174.62 174.61 1n9m s LEU 124 N 1.51 4.34 0.03 4.42 1.43 -0.24 -4.93 118.68 125.23 1n9m s LEU 124 Ca 0.03 0.71 0.07 0.00 -1.03 0.00 0.00 54.13 53.90 1n9m s LEU 124 Cb -0.13 -2.99 -0.02 0.00 0.03 0.00 0.00 46.19 43.08 1n9m s LEU 124 CO -0.08 0.16 -0.20 0.54 0.23 0.00 0.00 176.35 177.00 1n9m s VAL 125 N -1.43 1.62 0.00 -1.59 0.11 -1.26 -1.25 120.40 116.60 1n9m s VAL 125 Ca 0.33 -1.09 0.00 0.00 -2.93 0.00 0.00 61.98 58.30 1n9m s VAL 125 Cb -0.13 -1.39 0.00 0.00 -1.53 0.00 0.00 36.38 33.33 1n9m s VAL 125 CO 0.19 0.27 0.00 0.61 -3.33 0.00 0.00 175.10 172.84 1n9m n GLY 126 N 2.07 2.49 3.01 6.54 0.00 -1.08 -5.01 105.19 113.21 1n9m n GLY 126 Ca -0.17 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 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 -5.06 -0.30 -0.01 1.61 -3.43 -1.26 -1.35 115.29 105.49 1n9m s HIS 127 Ca 0.00 0.73 0.07 0.00 -0.80 0.00 0.00 55.06 55.06 1n9m s HIS 127 Cb 0.00 -0.01 -0.02 0.00 -1.43 0.00 0.00 32.58 31.13 1n9m s HIS 127 CO 0.00 -0.23 -0.23 -0.51 -2.00 0.00 0.00 174.74 171.77 1n9m s ASP 128 N 1.41 2.71 -0.12 7.38 1.01 -1.04 -5.00 116.67 123.03 1n9m s ASP 128 Ca -0.08 -0.43 0.03 0.00 0.71 0.00 0.00 52.55 52.78 1n9m s ASP 128 Cb -0.11 -0.29 0.00 0.00 1.01 0.00 0.00 42.92 43.53 1n9m s ASP 128 CO -0.08 0.27 -0.22 -0.89 0.21 0.00 0.00 175.17 174.47 1n9m s THR 129 N -0.57 2.20 -0.04 -1.27 2.01 -1.26 -1.73 115.64 114.98 1n9m s THR 129 Ca 0.09 -0.96 0.05 0.00 0.31 0.00 0.00 61.69 61.18 1n9m s THR 129 Cb -0.09 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.53 1n9m s THR 129 CO -0.00 0.55 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.94 1n9m s PHE 130 N 0.49 2.58 0.15 4.92 0.40 -0.63 -3.73 117.98 122.17 1n9m s PHE 130 Ca -0.14 -0.25 0.08 0.00 -0.60 0.00 0.00 56.93 56.02 1n9m s PHE 130 Cb -0.17 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 1n9m s PHE 130 CO 0.05 0.12 -0.17 -0.08 0.70 0.00 0.00 175.22 175.84 1n9m s THR 131 N -0.70 1.68 -2.02 0.64 -1.32 -0.63 -2.13 115.64 111.17 1n9m s THR 131 Ca 0.11 -1.86 0.27 0.00 -1.21 0.00 0.00 61.69 59.00 1n9m s THR 131 Cb -0.10 -1.76 0.40 0.00 -1.51 0.00 0.00 72.50 69.52 1n9m s THR 131 CO 0.00 -0.34 1.67 0.29 -2.21 0.00 0.00 174.62 174.02 1n9m n LYS 132 N 0.36 1.12 -3.42 7.08 5.02 -1.26 -1.43 118.16 125.63 1n9m n LYS 132 Ca -0.14 -0.63 -0.40 0.00 -2.02 0.00 0.00 58.31 55.12 1n9m n LYS 132 Cb 0.57 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 34.00 1n9m n LYS 132 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1n9m s VAL 133 N -2.31 5.19 0.10 -0.18 1.01 -1.26 -4.92 120.40 118.04 1n9m s VAL 133 Ca 0.30 0.28 -0.31 0.00 0.00 0.00 0.00 61.98 62.25 1n9m s VAL 133 Cb 0.20 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.77 1n9m s VAL 133 CO 0.45 0.06 1.55 -0.75 0.00 0.00 0.00 175.10 176.41 1n9m s LYS 134 N 2.00 4.23 0.25 2.72 2.20 -1.26 -4.91 119.74 124.98 1n9m s LYS 134 Ca 0.12 2.26 -0.30 0.00 -0.36 0.00 0.00 55.97 57.69 1n9m s LYS 134 Cb -0.16 -3.37 -0.14 0.00 -1.51 0.00 0.00 37.83 32.64 1n9m s LYS 134 CO 0.11 -0.62 1.17 -2.30 -0.36 0.00 0.00 175.35 173.35 1n9m n PRO 135 N 4.70 1.52 -2.41 4.03 -0.02 -1.26 -4.96 135.00 136.60 1n9m n PRO 135 Ca 0.14 0.54 -0.38 0.00 -2.02 0.00 0.00 63.50 61.78 1n9m n PRO 135 Cb 0.40 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 1n9m n PRO 135 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1n9m s SER 136 N -0.17 6.67 0.00 2.55 0.01 -1.26 -4.95 113.70 116.56 1n9m s SER 136 Ca 0.65 2.21 0.00 0.00 1.31 0.00 0.00 55.95 60.12 1n9m s SER 136 Cb -0.72 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 62.90 1n9m s SER 136 CO 0.55 -0.56 0.00 0.00 0.41 0.00 0.00 173.24 173.64 1n9m n ALA 137 N 0.11 0.00 -1.41 1.44 0.00 -1.26 -5.09 120.51 114.29 1n9m n ALA 137 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1n9m n ALA 137 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1n9m n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n9m n ALA 138 N -1.69 1.01 -1.11 0.00 0.00 -1.26 -5.24 120.51 112.23 1n9m n ALA 138 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1n9m n ALA 138 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1n9m n ALA 138 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37