#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ntl s TYR 2 N 0.00 3.24 -1.27 2.03 5.04 -1.26 -1.65 117.35 123.49 2ntl s TYR 2 Ca 0.00 -0.90 0.24 0.00 -2.44 0.00 0.00 57.07 53.97 2ntl s TYR 2 Cb 0.00 -3.13 0.38 0.00 0.35 0.00 0.00 41.96 39.57 2ntl s TYR 2 CO 0.00 -0.78 1.33 1.28 -1.34 0.00 0.00 175.55 176.03 2ntl n LEU 3 N 5.20 0.85 0.00 6.97 4.32 -1.26 -4.68 117.00 128.40 2ntl n LEU 3 Ca -0.12 -0.22 0.00 0.00 -0.02 0.00 0.00 56.01 55.65 2ntl n LEU 3 Cb 0.44 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 2ntl n LEU 3 CO 0.47 0.19 0.00 0.61 -1.22 0.00 0.00 177.39 177.43 2ntl n GLY 4 N 1.46 1.26 3.74 -0.72 0.00 -1.26 -1.33 105.19 108.34 2ntl n GLY 4 Ca 0.07 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 2ntl n GLY 4 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ntl s ARG 5 N 0.00 4.50 0.04 1.61 3.00 -1.26 -3.42 118.95 123.42 2ntl s ARG 5 Ca 0.00 1.86 0.05 0.00 0.00 0.00 0.00 55.73 57.64 2ntl s ARG 5 Cb 0.00 -3.24 -0.02 0.00 0.00 0.00 0.00 34.95 31.68 2ntl s ARG 5 CO 0.00 -0.07 -0.14 0.42 0.00 0.00 0.00 175.30 175.51 2ntl s ILE 6 N -0.07 1.10 -0.01 1.52 1.01 -0.47 -1.75 121.20 122.52 2ntl s ILE 6 Ca 0.52 -1.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.12 2ntl s ILE 6 Cb -0.32 -1.00 -0.00 0.00 0.01 0.00 0.00 42.46 41.15 2ntl s ILE 6 CO 0.36 -0.01 0.09 -1.48 0.00 0.00 0.00 174.94 173.91 2ntl s LEU 7 N -1.16 1.71 0.10 2.97 0.05 -0.65 -0.18 118.68 121.52 2ntl s LEU 7 Ca 0.01 -0.12 0.04 0.00 0.05 0.00 0.00 54.13 54.11 2ntl s LEU 7 Cb -0.08 0.45 -0.04 0.00 -2.05 0.00 0.00 46.19 44.47 2ntl s LEU 7 CO 0.01 -0.24 -0.11 0.00 -0.55 0.00 0.00 176.35 175.46 2ntl s ALA 8 N -0.91 1.23 -0.03 1.48 0.00 -0.45 -0.80 121.76 122.28 2ntl s ALA 8 Ca -0.10 -1.21 -0.24 0.00 0.00 0.00 0.00 51.96 50.41 2ntl s ALA 8 Cb -0.06 -0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.10 2ntl s ALA 8 CO 0.01 0.01 0.53 0.54 0.00 0.00 0.00 175.76 176.85 2ntl s VAL 9 N -2.29 0.02 -5.00 0.00 0.11 -0.19 -0.58 120.40 112.48 2ntl s VAL 9 Ca 0.06 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 58.92 2ntl s VAL 9 Cb -0.04 -0.85 0.00 0.00 -1.53 0.00 0.00 36.38 33.96 2ntl s VAL 9 CO 0.01 -0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.28 2ntl n GLY 10 N 1.04 -0.08 3.14 6.54 0.00 -0.81 -1.57 105.19 113.46 2ntl n GLY 10 Ca -0.20 -1.49 -0.16 0.00 0.00 0.00 0.00 46.02 44.16 2ntl n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ntl s ARG 11 N -2.00 0.74 0.20 1.61 0.52 -1.26 -1.15 118.95 117.60 2ntl s ARG 11 Ca 0.00 -0.93 0.04 0.00 -0.52 0.00 0.00 55.73 54.32 2ntl s ARG 11 Cb 0.00 -0.64 -0.01 0.00 0.52 0.00 0.00 34.95 34.81 2ntl s ARG 11 CO 0.00 0.13 0.14 0.27 0.02 0.00 0.00 175.30 175.87 2ntl n ASN 12 N 1.23 -0.10 0.22 0.23 0.23 -0.26 -4.37 115.26 112.44 2ntl n ASN 12 Ca -0.21 -2.24 0.17 0.00 -0.53 0.00 0.00 54.58 51.77 2ntl n ASN 12 Cb 0.55 0.88 0.84 0.00 -2.08 0.00 0.00 39.78 39.97 2ntl n ASN 12 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2ntl h SER 13 N 1.11 0.00 0.66 0.53 4.64 -1.94 -2.54 113.55 116.02 2ntl h SER 13 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2ntl h SER 13 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 2ntl h SER 13 CO 0.21 0.00 -1.15 0.59 -0.87 0.00 0.00 176.83 175.61 2ntl n ASN 14 N -3.74 0.62 0.00 4.97 3.02 -1.26 -5.08 115.26 113.80 2ntl n ASN 14 Ca 0.01 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 2ntl n ASN 14 Cb 0.32 0.79 0.00 0.00 -0.61 0.00 0.00 39.78 40.28 2ntl n ASN 14 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ntl n GLY 15 N 1.26 -0.52 3.91 7.41 0.00 -0.96 -4.42 105.19 111.86 2ntl n GLY 15 Ca 0.00 -1.33 -0.23 0.00 0.00 0.00 0.00 46.02 44.46 2ntl n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ntl s SER 16 N -4.00 6.03 0.09 1.61 0.01 -0.32 -1.10 113.70 116.02 2ntl s SER 16 Ca 0.00 -0.01 -0.27 0.00 1.31 0.00 0.00 55.95 56.99 2ntl s SER 16 Cb 0.00 -1.71 0.08 0.00 0.21 0.00 0.00 66.02 64.60 2ntl s SER 16 CO 0.00 -0.01 1.01 0.72 0.41 0.00 0.00 173.24 175.37 2ntl s PHE 17 N -1.93 -0.15 -0.05 2.43 -0.12 -0.30 -0.90 117.98 116.96 2ntl s PHE 17 Ca 0.33 -0.09 -0.04 0.00 -0.05 0.00 0.00 56.93 57.09 2ntl s PHE 17 Cb -0.09 0.60 0.02 0.00 -0.63 0.00 0.00 43.02 42.92 2ntl s PHE 17 CO 0.27 -0.67 0.13 0.14 -0.05 0.00 0.00 175.22 175.04 2ntl s VAL 18 N -3.09 -0.02 0.11 -2.49 -7.23 -0.87 -1.93 120.40 104.89 2ntl s VAL 18 Ca 0.11 0.07 0.06 0.00 -1.81 0.00 0.00 61.98 60.41 2ntl s VAL 18 Cb -0.00 -0.20 -0.04 0.00 0.56 0.00 0.00 36.38 36.70 2ntl s VAL 18 CO -0.01 0.03 -0.14 0.00 -0.31 0.00 0.00 175.10 174.66 2ntl s ALA 19 N 0.47 1.44 -0.07 1.32 0.00 0.25 -1.15 121.76 124.02 2ntl s ALA 19 Ca -0.03 -1.22 -0.08 0.00 0.00 0.00 0.00 51.96 50.63 2ntl s ALA 19 Cb -0.05 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.00 2ntl s ALA 19 CO -0.02 0.13 0.21 -0.47 0.00 0.00 0.00 175.76 175.61 2ntl s TYR 20 N -1.89 -0.20 -0.01 0.00 5.04 0.35 -1.35 117.35 119.29 2ntl s TYR 20 Ca 0.06 0.48 0.00 0.00 -2.44 0.00 0.00 57.07 55.18 2ntl s TYR 20 Cb -0.06 0.07 0.01 0.00 0.35 0.00 0.00 41.96 42.33 2ntl s TYR 20 CO 0.03 -0.14 0.01 0.50 -1.34 0.00 0.00 175.55 174.60 2ntl s ARG 21 N -0.11 0.06 -0.23 4.97 3.52 0.74 -0.68 118.95 127.22 2ntl s ARG 21 Ca -0.02 0.06 -0.14 0.00 -0.13 0.00 0.00 55.73 55.50 2ntl s ARG 21 Cb -0.02 -0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.14 2ntl s ARG 21 CO 0.01 -0.07 0.31 0.08 -0.81 0.00 0.00 175.30 174.82 2ntl s VAL 22 N 0.49 5.25 -0.08 7.11 1.01 0.65 -1.37 120.40 133.47 2ntl s VAL 22 Ca -0.04 0.50 0.04 0.00 0.00 0.00 0.00 61.98 62.49 2ntl s VAL 22 Cb -0.06 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 2ntl s VAL 22 CO -0.01 0.26 -0.23 -0.44 0.00 0.00 0.00 175.10 174.68 2ntl s SER 23 N 1.18 2.88 0.06 3.32 0.01 -1.22 -1.33 113.70 118.59 2ntl s SER 23 Ca 0.14 -0.50 -0.20 0.00 1.31 0.00 0.00 55.95 56.70 2ntl s SER 23 Cb -0.15 -1.12 0.04 0.00 0.21 0.00 0.00 66.02 65.01 2ntl s SER 23 CO 0.07 0.17 0.46 -0.55 0.41 0.00 0.00 173.24 173.80 2ntl s SER 24 N 0.20 -0.35 -0.01 2.44 0.15 -0.91 -4.02 113.70 111.19 2ntl s SER 24 Ca -0.13 0.03 -0.03 0.00 0.70 0.00 0.00 55.95 56.51 2ntl s SER 24 Cb -0.16 0.46 -0.02 0.00 -1.71 0.00 0.00 66.02 64.59 2ntl s SER 24 CO 0.06 -0.72 -0.08 0.54 1.20 0.00 0.00 173.24 174.25 2ntl n ARG 25 N 0.34 0.12 0.21 5.44 1.74 -1.26 -4.65 116.66 118.60 2ntl n ARG 25 Ca -0.18 0.05 0.09 0.00 -0.77 0.00 0.00 57.85 57.04 2ntl n ARG 25 Cb 0.61 -0.71 0.36 0.00 -1.02 0.00 0.00 32.46 31.70 2ntl n ARG 25 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2ntl h SER 26 N -0.21 0.00 -2.37 0.55 4.64 -2.02 -3.38 113.55 110.75 2ntl h SER 26 Ca -0.08 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.65 2ntl h SER 26 Cb 0.72 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.42 2ntl h SER 26 CO -0.05 0.25 -0.94 0.49 -0.87 0.00 0.00 176.83 175.71 2ntl n PHE 27 N -3.31 -0.09 1.21 4.77 3.01 -1.26 -4.93 117.46 116.86 2ntl n PHE 27 Ca 0.01 -3.52 0.13 0.00 1.01 0.00 0.00 57.45 55.08 2ntl n PHE 27 Cb 0.49 -0.01 0.33 0.00 -0.01 0.00 0.00 39.48 40.29 2ntl n PHE 27 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2ntl n PRO 28 N 2.35 0.88 -1.53 -1.08 -0.04 -1.26 -4.52 135.00 129.79 2ntl n PRO 28 Ca 0.27 -0.55 -0.34 0.00 -0.04 0.00 0.00 63.50 62.83 2ntl n PRO 28 Cb 0.47 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.40 2ntl n PRO 28 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2ntl n ASN 29 N -0.57 7.74 -4.11 3.54 5.03 -1.26 -4.88 115.26 120.74 2ntl n ASN 29 Ca 0.12 -2.84 -0.08 0.00 0.87 0.00 0.00 54.58 52.65 2ntl n ASN 29 Cb 0.36 -1.43 -0.10 0.00 -1.02 0.00 0.00 39.78 37.59 2ntl n ASN 29 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2ntl s ARG 30 N 0.33 0.69 0.30 3.52 0.52 -1.26 -1.78 118.95 121.27 2ntl s ARG 30 Ca 0.63 -1.27 -0.04 0.00 -0.52 0.00 0.00 55.73 54.53 2ntl s ARG 30 Cb 0.23 0.13 -0.01 0.00 0.52 0.00 0.00 34.95 35.82 2ntl s ARG 30 CO -0.08 -0.11 0.41 -0.08 0.02 0.00 0.00 175.30 175.45 2ntl s THR 31 N -3.88 0.00 0.04 0.02 -1.32 0.25 -4.69 115.64 106.06 2ntl s THR 31 Ca 0.10 -1.64 0.02 0.00 -1.21 0.00 0.00 61.69 58.95 2ntl s THR 31 Cb 0.07 -2.51 -0.04 0.00 -1.51 0.00 0.00 72.50 68.52 2ntl s THR 31 CO -0.08 0.00 0.06 0.42 -2.21 0.00 0.00 174.62 172.81 2ntl s THR 32 N -3.47 4.47 -0.03 5.08 -4.23 -1.26 -0.78 115.64 115.41 2ntl s THR 32 Ca 0.31 -0.63 0.03 0.00 -1.18 0.00 0.00 61.69 60.21 2ntl s THR 32 Cb 0.01 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.77 2ntl s THR 32 CO 0.17 0.25 -0.10 -0.55 -0.54 0.00 0.00 174.62 173.85 2ntl s SER 33 N -1.99 1.31 -0.19 3.99 0.15 0.71 -4.95 113.70 112.74 2ntl s SER 33 Ca 0.25 -0.21 -0.11 0.00 0.70 0.00 0.00 55.95 56.58 2ntl s SER 33 Cb -0.12 -0.37 -0.05 0.00 -1.71 0.00 0.00 66.02 63.77 2ntl s SER 33 CO 0.16 0.07 0.18 -0.63 1.20 0.00 0.00 173.24 174.22 2ntl s ILE 34 N 0.22 5.38 0.30 6.45 1.01 -1.26 -0.26 121.20 133.04 2ntl s ILE 34 Ca -0.04 0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.94 2ntl s ILE 34 Cb -0.09 -3.52 -0.01 0.00 0.01 0.00 0.00 42.46 38.84 2ntl s ILE 34 CO 0.01 0.42 0.14 0.00 0.00 0.00 0.00 174.94 175.51 2ntl n GLN 35 N 3.58 0.57 -1.47 2.79 1.13 -0.34 -5.00 117.38 118.64 2ntl n GLN 35 Ca -0.15 -2.63 -0.47 0.00 -1.94 0.00 0.00 57.00 51.82 2ntl n GLN 35 Cb 0.52 1.61 -0.08 0.00 0.11 0.00 0.00 30.24 32.40 2ntl n GLN 35 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 2ntl n GLU 36 N -0.65 0.89 -2.60 -1.09 2.13 -1.26 -2.19 120.64 115.86 2ntl n GLU 36 Ca -0.02 0.19 -0.17 0.00 0.66 0.00 0.00 57.16 57.82 2ntl n GLU 36 Cb 0.47 -2.48 -0.00 0.00 0.27 0.00 0.00 31.44 29.70 2ntl n GLU 36 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2ntl n GLU 37 N 8.39 -2.52 -3.45 5.31 1.02 -1.26 -4.94 120.64 123.17 2ntl n GLU 37 Ca 0.45 0.75 -0.13 0.00 -0.02 0.00 0.00 57.16 58.21 2ntl n GLU 37 Cb 0.25 -5.41 -0.03 0.00 -0.02 0.00 0.00 31.44 26.23 2ntl n GLU 37 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2ntl s ARG 38 N -5.22 1.16 -0.11 3.49 1.70 -0.93 -0.88 118.95 118.16 2ntl s ARG 38 Ca 0.08 -0.28 0.02 0.00 -0.47 0.00 0.00 55.73 55.08 2ntl s ARG 38 Cb -0.04 0.54 0.01 0.00 -0.57 0.00 0.00 34.95 34.89 2ntl s ARG 38 CO 0.10 -0.48 -0.17 0.08 -1.08 0.00 0.00 175.30 173.75 2ntl s VAL 39 N -3.08 1.63 -0.06 4.99 1.01 -0.11 -1.20 120.40 123.59 2ntl s VAL 39 Ca -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2ntl s VAL 39 Cb -0.01 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 2ntl s VAL 39 CO -0.07 0.47 -0.04 0.00 0.00 0.00 0.00 175.10 175.45 2ntl s ALA 40 N 0.82 3.10 -0.32 5.51 0.00 0.65 -0.45 121.76 131.06 2ntl s ALA 40 Ca -0.10 -0.88 -0.18 0.00 0.00 0.00 0.00 51.96 50.80 2ntl s ALA 40 Cb -0.16 -1.30 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 2ntl s ALA 40 CO 0.01 0.59 0.51 0.08 0.00 0.00 0.00 175.76 176.94 2ntl s VAL 41 N -0.87 5.04 0.21 0.00 1.01 0.37 -0.21 120.40 125.95 2ntl s VAL 41 Ca 0.14 0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.62 2ntl s VAL 41 Cb -0.11 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 2ntl s VAL 41 CO 0.03 -0.12 0.04 0.68 0.00 0.00 0.00 175.10 175.72 2ntl s VAL 42 N 2.36 0.67 0.40 2.92 -7.23 0.04 -2.33 120.40 117.22 2ntl s VAL 42 Ca 0.19 -1.99 -0.25 0.00 -1.81 0.00 0.00 61.98 58.12 2ntl s VAL 42 Cb -0.15 -2.34 -0.09 0.00 0.56 0.00 0.00 36.38 34.36 2ntl s VAL 42 CO 0.12 -0.28 1.09 -2.84 -0.31 0.00 0.00 175.10 172.89 2ntl s PRO 43 N -3.96 4.13 0.75 4.82 0.02 -1.26 -0.58 135.00 138.92 2ntl s PRO 43 Ca 0.30 1.64 -0.11 0.00 0.02 0.00 0.00 61.00 62.85 2ntl s PRO 43 Cb 0.07 -2.61 0.04 0.00 0.02 0.00 0.00 34.50 32.01 2ntl s PRO 43 CO 0.08 -0.20 1.08 0.14 -0.33 0.00 0.00 177.00 177.77 2ntl s VAL 44 N -1.55 3.59 0.33 3.83 -7.23 -0.73 -4.76 120.40 113.87 2ntl s VAL 44 Ca 0.57 0.52 -0.27 0.00 -1.81 0.00 0.00 61.98 60.99 2ntl s VAL 44 Cb -0.26 -3.19 -0.13 0.00 0.56 0.00 0.00 36.38 33.37 2ntl s VAL 44 CO 0.32 -0.67 0.97 1.21 -0.31 0.00 0.00 175.10 176.62 2ntl n GLU 45 N -3.33 1.29 0.00 4.82 2.13 -1.26 -2.15 120.64 122.14 2ntl n GLU 45 Ca 0.08 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.35 2ntl n GLU 45 Cb 0.54 -1.86 0.00 0.00 0.27 0.00 0.00 31.44 30.39 2ntl n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ntl n GLY 46 N 1.26 3.19 0.88 8.31 0.00 -1.26 -4.87 105.19 112.70 2ntl n GLY 46 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.19 2ntl n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2ntl n HIS 47 N -0.91 0.92 -0.32 1.61 8.25 -0.91 -4.69 115.22 119.17 2ntl n HIS 47 Ca 0.00 -0.97 0.20 0.00 -0.26 0.00 0.00 57.72 56.69 2ntl n HIS 47 Cb 0.00 -0.33 0.40 0.00 1.12 0.00 0.00 29.99 31.18 2ntl n HIS 47 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2ntl h GLU 48 N 1.60 0.26 -1.04 -0.41 3.07 -1.88 0.75 114.58 116.93 2ntl h GLU 48 Ca 0.03 -0.02 0.27 0.00 -0.50 0.00 0.00 59.36 59.14 2ntl h GLU 48 Cb 1.45 -0.06 -0.10 0.00 -0.84 0.00 0.00 28.75 29.20 2ntl h GLU 48 CO 0.24 0.17 0.66 0.00 -1.40 0.00 0.00 179.01 178.67 2ntl h ARG 49 N 0.27 0.42 -0.93 2.33 2.47 -1.96 -2.96 114.38 114.02 2ntl h ARG 49 Ca 0.66 -0.03 0.27 0.00 -1.26 0.00 0.00 59.98 59.63 2ntl h ARG 49 Cb 1.46 -0.09 -0.15 0.00 -1.65 0.00 0.00 29.97 29.53 2ntl h ARG 49 CO -0.64 0.28 0.32 -0.44 0.56 0.00 0.00 179.97 180.05 2ntl h ASP 50 N 0.43 0.12 -0.05 7.04 3.32 -1.22 0.18 116.42 126.24 2ntl h ASP 50 Ca 0.62 0.20 0.02 0.00 0.02 0.00 0.00 57.03 57.89 2ntl h ASP 50 Cb 1.47 0.25 -0.00 0.00 0.22 0.00 0.00 39.33 41.27 2ntl h ASP 50 CO -0.35 -0.18 0.26 -0.37 -1.72 0.00 0.00 179.24 176.89 2ntl h VAL 51 N 0.22 0.08 0.00 -1.35 -1.51 -1.72 0.43 116.25 112.40 2ntl h VAL 51 Ca 0.62 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.09 2ntl h VAL 51 Cb 1.32 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 2ntl h VAL 51 CO -0.67 0.00 -0.75 -0.26 -1.23 0.00 0.00 177.57 174.67 2ntl h PHE 52 N 0.00 0.00 0.14 5.19 -1.00 -0.86 -3.34 116.94 117.06 2ntl h PHE 52 Ca 0.03 0.00 -0.35 0.00 2.81 0.00 0.00 57.97 60.46 2ntl h PHE 52 Cb 0.55 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.11 2ntl h PHE 52 CO 0.00 0.00 -1.81 0.00 -1.61 0.00 0.00 178.31 174.89 2ntl h ARG 53 N 0.00 0.29 -3.58 1.51 3.08 -0.20 -3.45 114.38 112.03 2ntl h ARG 53 Ca 0.00 -0.49 -0.40 0.00 0.07 0.00 0.00 59.98 59.16 2ntl h ARG 53 Cb 0.80 0.18 -0.38 0.00 0.08 0.00 0.00 29.97 30.66 2ntl h ARG 53 CO 0.00 1.18 -0.75 1.21 -1.07 0.00 0.00 179.97 180.53 2ntl s ASN 54 N -7.04 1.20 0.00 7.04 3.84 -0.58 -5.03 114.94 114.36 2ntl s ASN 54 Ca -0.16 -0.02 0.11 0.00 0.21 0.00 0.00 52.86 53.00 2ntl s ASN 54 Cb 0.06 -0.30 0.67 0.00 -0.55 0.00 0.00 41.25 41.14 2ntl s ASN 54 CO 0.82 -0.19 1.43 -0.81 -2.79 0.00 0.00 177.10 175.56 2ntl n PRO 55 N 4.99 1.02 -0.07 0.43 -0.04 -1.26 -3.64 135.00 136.44 2ntl n PRO 55 Ca -0.10 -0.04 0.03 0.00 -0.04 0.00 0.00 63.50 63.36 2ntl n PRO 55 Cb 0.50 -1.18 0.07 0.00 -0.04 0.00 0.00 33.50 32.85 2ntl n PRO 55 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ntl n TYR 56 N -0.64 0.19 0.77 0.54 0.53 -1.26 -4.65 117.16 112.63 2ntl n TYR 56 Ca 0.09 -0.35 0.11 0.00 -1.02 0.00 0.00 57.90 56.72 2ntl n TYR 56 Cb 0.05 -0.03 0.01 0.00 -1.03 0.00 0.00 39.34 38.34 2ntl n TYR 56 CO 0.00 0.00 0.00 0.44 -1.02 0.00 0.00 176.86 176.28 2ntl n ILE 57 N 0.16 0.07 -4.87 -0.72 -5.35 -1.24 -4.87 119.36 102.54 2ntl n ILE 57 Ca 0.06 -0.13 -0.29 0.00 -0.27 0.00 0.00 62.75 62.12 2ntl n ILE 57 Cb 0.29 0.47 -0.17 0.00 -1.74 0.00 0.00 39.64 38.49 2ntl n ILE 57 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2ntl s ALA 58 N -3.11 1.79 -0.25 -1.28 0.00 -1.26 -4.66 121.76 112.99 2ntl s ALA 58 Ca 0.06 -0.75 -0.37 0.00 0.00 0.00 0.00 51.96 50.90 2ntl s ALA 58 Cb 0.16 -0.74 0.15 0.00 0.00 0.00 0.00 23.12 22.69 2ntl s ALA 58 CO 0.81 0.16 1.37 1.52 0.00 0.00 0.00 175.76 179.62 2ntl s TYR 59 N 0.56 -0.02 -0.12 0.00 -0.85 -0.98 -4.79 117.35 111.15 2ntl s TYR 59 Ca -0.15 0.01 -0.29 0.00 -0.52 0.00 0.00 57.07 56.11 2ntl s TYR 59 Cb -0.17 0.50 -0.01 0.00 0.38 0.00 0.00 41.96 42.66 2ntl s TYR 59 CO 0.05 -0.04 1.06 -0.80 -1.52 0.00 0.00 175.55 174.30 2ntl s ASN 60 N -2.17 7.17 0.15 -0.18 0.01 -1.26 -0.48 114.94 118.18 2ntl s ASN 60 Ca 0.12 1.56 0.22 0.00 -0.71 0.00 0.00 52.86 54.06 2ntl s ASN 60 Cb 0.00 -2.55 -0.07 0.00 0.41 0.00 0.00 41.25 39.04 2ntl s ASN 60 CO -0.03 -0.53 0.92 0.00 -1.51 0.00 0.00 177.10 175.95 2ntl s ILE 62 N -3.39 -0.03 -0.04 0.00 1.01 -1.08 -1.25 121.20 116.42 2ntl s ILE 62 Ca -0.02 0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.78 2ntl s ILE 62 Cb 0.11 -0.06 0.02 0.00 0.01 0.00 0.00 42.46 42.53 2ntl s ILE 62 CO 0.82 0.06 -0.06 -0.13 0.00 0.00 0.00 174.94 175.63 2ntl s ARG 63 N 0.69 0.88 -0.21 2.79 1.81 -0.37 -0.93 118.95 123.62 2ntl s ARG 63 Ca -0.06 -0.15 -0.06 0.00 -1.72 0.00 0.00 55.73 53.74 2ntl s ARG 63 Cb -0.08 -0.85 -0.03 0.00 -0.45 0.00 0.00 34.95 33.54 2ntl s ARG 63 CO -0.02 -0.04 0.02 0.42 -0.68 0.00 0.00 175.30 175.00 2ntl s ILE 64 N 0.76 4.07 -0.26 1.52 -1.09 -0.06 -0.81 121.20 125.33 2ntl s ILE 64 Ca -0.11 -0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.05 2ntl s ILE 64 Cb -0.13 -2.86 0.07 0.00 -1.58 0.00 0.00 42.46 37.96 2ntl s ILE 64 CO 0.01 0.41 0.01 0.68 -1.23 0.00 0.00 174.94 174.82 2ntl s VAL 65 N 1.12 1.25 0.00 2.92 -7.23 0.34 -4.91 120.40 113.89 2ntl s VAL 65 Ca 0.03 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 2ntl s VAL 65 Cb -0.14 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 35.08 2ntl s VAL 65 CO 0.02 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.10 2ntl n GLY 66 N 4.74 4.05 0.50 2.32 0.00 -1.26 -0.56 105.19 114.99 2ntl n GLY 66 Ca -0.07 0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.09 2ntl n GLY 66 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ntl n ASP 67 N 7.23 1.51 -4.59 1.61 5.75 -1.26 -4.88 116.55 121.92 2ntl n ASP 67 Ca 0.00 -1.71 -0.34 0.00 -0.01 0.00 0.00 54.79 52.73 2ntl n ASP 67 Cb 0.00 -0.10 -0.11 0.00 -1.03 0.00 0.00 41.12 39.88 2ntl n ASP 67 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2ntl s THR 68 N -1.79 4.17 -0.14 2.12 2.01 0.28 -4.08 115.64 118.22 2ntl s THR 68 Ca 0.31 -0.28 -0.04 0.00 0.31 0.00 0.00 61.69 62.00 2ntl s THR 68 Cb 0.16 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 2ntl s THR 68 CO 0.25 0.54 -0.01 0.00 -0.69 0.00 0.00 174.62 174.70 2ntl s ALA 69 N -0.20 3.14 -0.03 7.40 0.00 0.42 -0.51 121.76 131.99 2ntl s ALA 69 Ca 0.05 -0.81 0.06 0.00 0.00 0.00 0.00 51.96 51.26 2ntl s ALA 69 Cb -0.13 -1.58 -0.01 0.00 0.00 0.00 0.00 23.12 21.40 2ntl s ALA 69 CO 0.02 0.32 -0.22 0.08 0.00 0.00 0.00 175.76 175.97 2ntl s VAL 70 N -0.01 1.73 -0.00 0.00 1.01 0.01 -0.57 120.40 122.57 2ntl s VAL 70 Ca 0.02 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 2ntl s VAL 70 Cb -0.13 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 2ntl s VAL 70 CO 0.02 0.49 0.01 0.54 0.00 0.00 0.00 175.10 176.16 2ntl s VAL 71 N -0.32 0.01 0.11 2.92 0.11 0.07 -1.23 120.40 122.06 2ntl s VAL 71 Ca 0.03 -0.06 -0.26 0.00 -2.93 0.00 0.00 61.98 58.76 2ntl s VAL 71 Cb -0.10 -0.04 0.07 0.00 -1.53 0.00 0.00 36.38 34.78 2ntl s VAL 71 CO 0.01 -0.03 0.87 -0.94 -3.33 0.00 0.00 175.10 171.67 2ntl s SER 72 N -0.10 -0.30 -0.05 3.54 1.04 -0.38 -0.84 113.70 116.61 2ntl s SER 72 Ca -0.01 -0.22 0.11 0.00 0.48 0.00 0.00 55.95 56.30 2ntl s SER 72 Cb -0.01 0.49 0.40 0.00 0.10 0.00 0.00 66.02 67.00 2ntl s SER 72 CO -0.00 -0.85 1.26 -0.46 0.98 0.00 0.00 173.24 174.17 2ntl n ASN 73 N -0.37 2.79 -1.80 7.02 6.94 -1.15 -4.38 115.26 124.31 2ntl n ASN 73 Ca -0.08 -2.21 -0.02 0.00 -0.02 0.00 0.00 54.58 52.24 2ntl n ASN 73 Cb 0.61 -0.41 0.01 0.00 -2.36 0.00 0.00 39.78 37.64 2ntl n ASN 73 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2ntl n GLY 74 N 0.83 1.33 0.17 4.83 0.00 -1.26 -4.99 105.19 106.10 2ntl n GLY 74 Ca 0.14 -1.06 0.09 0.00 0.00 0.00 0.00 46.02 45.19 2ntl n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ntl n SER 75 N -1.05 0.45 0.00 1.61 3.41 -1.26 -1.31 113.62 115.46 2ntl n SER 75 Ca -0.02 0.66 0.06 0.00 -0.26 0.00 0.00 58.87 59.31 2ntl n SER 75 Cb 0.23 -0.66 0.28 0.00 -0.26 0.00 0.00 64.21 63.81 2ntl n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ntl n HIS 76 N -2.16 0.00 -0.29 7.33 1.44 -1.26 -1.91 115.22 118.36 2ntl n HIS 76 Ca -0.01 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.66 2ntl n HIS 76 Cb 0.19 -0.48 0.07 0.00 0.12 0.00 0.00 29.99 29.89 2ntl n HIS 76 CO 0.00 0.00 0.00 1.15 -2.81 0.00 0.00 176.34 174.68 2ntl h THR 77 N 0.00 1.20 -0.19 0.61 2.02 -1.43 0.37 112.91 115.49 2ntl h THR 77 Ca 0.00 -0.37 -0.19 0.00 0.77 0.00 0.00 66.41 66.63 2ntl h THR 77 Cb 0.22 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.66 2ntl h THR 77 CO 0.00 0.20 -0.63 0.44 0.37 0.00 0.00 175.52 175.90 2ntl h ASP 78 N 1.07 0.77 -0.70 4.18 3.32 -1.62 -1.46 116.42 121.99 2ntl h ASP 78 Ca 0.29 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2ntl h ASP 78 Cb -0.12 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.17 2ntl h ASP 78 CO -0.06 1.21 0.45 0.74 -1.72 0.00 0.00 179.24 179.86 2ntl h THR 79 N 0.50 1.18 -0.02 0.35 2.02 -1.36 -1.00 112.91 114.58 2ntl h THR 79 Ca -0.01 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 2ntl h THR 79 Cb 1.21 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 2ntl h THR 79 CO 0.12 0.18 -0.04 0.40 0.37 0.00 0.00 175.52 176.55 2ntl h ILE 80 N 0.94 1.47 -0.79 3.11 2.04 -0.93 -3.04 117.51 120.31 2ntl h ILE 80 Ca 0.25 -1.43 0.04 0.00 1.00 0.00 0.00 64.86 64.73 2ntl h ILE 80 Cb -0.09 2.39 -0.05 0.00 -0.74 0.00 0.00 36.82 38.32 2ntl h ILE 80 CO -0.05 0.38 0.49 0.00 0.00 0.00 0.00 178.15 178.97 2ntl h ALA 81 N 0.42 1.05 -0.82 1.87 0.00 -1.20 -1.56 119.26 119.01 2ntl h ALA 81 Ca -0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2ntl h ALA 81 Cb 0.64 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2ntl h ALA 81 CO 0.01 0.26 0.54 -0.44 0.00 0.00 0.00 179.25 179.62 2ntl h ASP 82 N 0.93 0.91 -0.61 0.00 3.32 -1.24 0.15 116.42 119.89 2ntl h ASP 82 Ca 0.33 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.26 2ntl h ASP 82 Cb 0.08 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2ntl h ASP 82 CO -0.14 0.65 -0.01 0.11 -1.72 0.00 0.00 179.24 178.13 2ntl h LYS 83 N 1.08 1.08 -0.37 3.56 1.79 -1.29 -0.20 116.57 122.22 2ntl h LYS 83 Ca 0.31 -0.35 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 2ntl h LYS 83 Cb -0.07 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.47 2ntl h LYS 83 CO -0.09 1.05 0.09 0.28 -1.08 0.00 0.00 179.45 179.71 2ntl h VAL 84 N 0.98 1.22 -0.96 0.50 2.07 -0.84 -0.92 116.25 118.31 2ntl h VAL 84 Ca 0.17 -0.76 0.05 0.00 0.82 0.00 0.00 66.70 66.98 2ntl h VAL 84 Cb 0.57 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 2ntl h VAL 84 CO 0.03 0.26 0.63 0.00 0.02 0.00 0.00 177.57 178.51 2ntl h ALA 85 N 0.94 1.42 -0.06 1.67 0.00 -0.37 -0.77 119.26 122.09 2ntl h ALA 85 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2ntl h ALA 85 Cb 0.30 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2ntl h ALA 85 CO 0.00 0.47 0.00 1.28 0.00 0.00 0.00 179.25 181.00 2ntl n LEU 86 N -4.47 0.98 -0.51 0.00 4.77 -0.12 -4.96 117.00 112.71 2ntl n LEU 86 Ca 0.14 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 2ntl n LEU 86 Cb 0.14 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2ntl n LEU 86 CO 0.34 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2ntl n GLY 87 N 1.05 -1.00 3.64 -0.72 0.00 -0.29 -5.05 105.19 102.82 2ntl n GLY 87 Ca 0.18 -0.62 -0.04 0.00 0.00 0.00 0.00 46.02 45.54 2ntl n GLY 87 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2ntl s MET 88 N -0.15 0.47 0.79 1.61 0.00 -1.09 -4.88 119.30 116.05 2ntl s MET 88 Ca 0.00 0.81 -0.14 0.00 0.00 0.00 0.00 55.69 56.36 2ntl s MET 88 Cb 0.00 0.09 0.06 0.00 0.00 0.00 0.00 34.83 34.98 2ntl s MET 88 CO 0.00 -0.10 1.08 0.27 0.00 0.00 0.00 175.02 176.27 2ntl n ASN 89 N 3.87 0.66 -0.06 1.11 0.23 -1.26 -4.40 115.26 115.42 2ntl n ASN 89 Ca -0.19 0.60 -0.07 0.00 -0.53 0.00 0.00 54.58 54.38 2ntl n ASN 89 Cb 0.58 -1.46 -0.01 0.00 -2.08 0.00 0.00 39.78 36.81 2ntl n ASN 89 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2ntl h LEU 90 N -0.74 -0.32 -0.14 -4.53 3.38 -1.99 -1.54 115.31 109.43 2ntl h LEU 90 Ca -0.46 0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.64 2ntl h LEU 90 Cb 1.31 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 42.20 2ntl h LEU 90 CO 0.45 -0.12 -0.19 -0.09 0.09 0.00 0.00 178.44 178.59 2ntl h ARG 91 N -0.04 -0.22 -0.44 1.13 2.43 -1.97 -0.80 114.38 114.47 2ntl h ARG 91 Ca 0.13 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 2ntl h ARG 91 Cb 0.24 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2ntl h ARG 91 CO -0.29 -0.15 0.16 -0.44 -1.51 0.00 0.00 179.97 177.75 2ntl h ASP 92 N -0.23 0.62 -0.70 -3.80 3.32 -1.90 0.26 116.42 113.99 2ntl h ASP 92 Ca 0.10 -0.18 0.08 0.00 0.02 0.00 0.00 57.03 57.05 2ntl h ASP 92 Cb 0.38 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.70 2ntl h ASP 92 CO -0.28 0.64 0.36 0.00 -1.72 0.00 0.00 179.24 178.24 2ntl h ALA 93 N 1.01 0.96 -0.10 3.45 0.00 -0.92 0.72 119.26 124.39 2ntl h ALA 93 Ca 0.15 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 2ntl h ALA 93 Cb 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2ntl h ALA 93 CO -0.01 -0.02 -0.29 0.82 0.00 0.00 0.00 179.25 179.76 2ntl h ILE 94 N 0.63 1.40 0.08 0.00 2.04 -0.95 -2.89 117.51 117.82 2ntl h ILE 94 Ca 0.34 -1.63 0.01 0.00 1.00 0.00 0.00 64.86 64.58 2ntl h ILE 94 Cb 0.32 2.19 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 2ntl h ILE 94 CO -0.24 0.47 -0.16 1.23 0.00 0.00 0.00 178.15 179.45 2ntl h GLY 95 N -0.09 -0.27 1.01 5.37 0.00 0.26 -1.02 103.07 108.34 2ntl h GLY 95 Ca -0.01 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 2ntl h GLY 95 CO 0.06 -0.15 0.46 -2.00 0.00 0.00 0.00 176.54 174.91 2ntl h LEU 96 N -0.30 0.98 -0.23 3.11 5.85 0.33 -0.86 115.31 124.19 2ntl h LEU 96 Ca 0.03 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 2ntl h LEU 96 Cb 0.32 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2ntl h LEU 96 CO -0.09 0.78 0.02 0.28 -0.34 0.00 0.00 178.44 179.09 2ntl h SER 97 N 1.10 0.38 -0.49 1.25 0.02 -1.29 -2.14 113.55 112.38 2ntl h SER 97 Ca 0.28 -0.28 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 2ntl h SER 97 Cb 0.00 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 2ntl h SER 97 CO -0.05 0.57 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.06 2ntl h LEU 98 N 0.17 0.92 -0.73 5.07 3.38 -1.07 0.36 115.31 123.40 2ntl h LEU 98 Ca 0.07 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.74 2ntl h LEU 98 Cb 0.36 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 2ntl h LEU 98 CO 0.01 1.05 0.44 0.25 0.09 0.00 0.00 178.44 180.28 2ntl h LEU 99 N 0.78 0.69 0.04 1.67 5.85 -1.10 0.20 115.31 123.43 2ntl h LEU 99 Ca 0.13 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 2ntl h LEU 99 Cb 0.63 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.53 2ntl h LEU 99 CO 0.04 0.46 -0.02 0.00 -0.34 0.00 0.00 178.44 178.58 2ntl h ALA 100 N 1.35 -0.05 -0.21 1.25 0.00 -1.21 -3.35 119.26 117.04 2ntl h ALA 100 Ca 0.32 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ntl h ALA 100 Cb 0.12 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2ntl h ALA 100 CO -0.15 -0.11 0.13 0.52 0.00 0.00 0.00 179.25 179.63 2ntl h MET 101 N -0.89 0.28 -1.25 0.00 2.86 -0.91 -3.49 114.93 111.53 2ntl h MET 101 Ca -0.01 -0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.76 2ntl h MET 101 Cb 0.69 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 2ntl h MET 101 CO 0.01 0.22 -0.22 -3.47 1.06 0.00 0.00 176.91 174.51 2ntl n ASP 102 N -4.92 -3.33 -4.75 1.22 4.64 0.68 -4.85 116.55 105.24 2ntl n ASP 102 Ca -0.03 0.24 -0.33 0.00 -1.38 0.00 0.00 54.79 53.29 2ntl n ASP 102 Cb 0.05 -1.70 0.07 0.00 -1.04 0.00 0.00 41.12 38.50 2ntl n ASP 102 CO 0.00 0.00 0.00 -0.72 -0.82 0.00 0.00 177.20 175.66 2ntl s TYR 103 N -1.56 2.43 0.32 -0.67 -0.85 -1.26 -4.58 117.35 111.18 2ntl s TYR 103 Ca 0.00 1.58 -0.28 0.00 -0.52 0.00 0.00 57.07 57.85 2ntl s TYR 103 Cb 0.00 -3.22 -0.09 0.00 0.38 0.00 0.00 41.96 39.03 2ntl s TYR 103 CO 0.00 -1.96 1.15 -1.21 -1.52 0.00 0.00 175.55 172.01 2ntl s GLU 104 N -4.23 4.44 -1.31 -3.49 2.02 0.15 -4.94 118.70 111.34 2ntl s GLU 104 Ca 0.67 1.88 -0.06 0.00 0.02 0.00 0.00 54.97 57.48 2ntl s GLU 104 Cb -0.22 -3.03 0.08 0.00 0.10 0.00 0.00 34.13 31.07 2ntl s GLU 104 CO 0.46 0.01 2.50 1.63 0.02 0.00 0.00 175.26 179.88 2ntl n LYS 105 N 0.82 4.34 -2.46 1.61 4.76 -1.26 -3.33 118.16 122.65 2ntl n LYS 105 Ca 0.00 -3.20 -0.12 0.00 -2.87 0.00 0.00 58.31 52.13 2ntl n LYS 105 Cb 0.45 -2.63 0.01 0.00 -1.84 0.00 0.00 35.03 31.02 2ntl n LYS 105 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2ntl n ASP 106 N 1.96 1.64 0.00 4.39 5.68 -1.26 -4.95 116.55 124.01 2ntl n ASP 106 Ca 0.64 -1.88 0.04 0.00 -0.50 0.00 0.00 54.79 53.10 2ntl n ASP 106 Cb 0.27 -0.07 0.21 0.00 -1.14 0.00 0.00 41.12 40.38 2ntl n ASP 106 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2ntl n GLU 107 N -1.25 0.09 0.00 0.11 1.02 -1.26 -2.08 120.64 117.27 2ntl n GLU 107 Ca 0.01 0.24 0.01 0.00 -0.02 0.00 0.00 57.16 57.40 2ntl n GLU 107 Cb 0.30 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 2ntl n GLU 107 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2ntl n LEU 108 N -1.34 1.04 -3.80 -4.62 4.77 -1.26 -4.98 117.00 106.82 2ntl n LEU 108 Ca 0.04 -0.98 -0.28 0.00 -0.03 0.00 0.00 56.01 54.76 2ntl n LEU 108 Cb 0.07 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.20 2ntl n LEU 108 CO 0.07 0.25 0.14 0.59 -1.33 0.00 0.00 177.39 177.10 2ntl n ASN 109 N 0.01 -5.23 -4.67 -1.43 3.02 -0.88 -4.79 115.26 101.28 2ntl n ASN 109 Ca 0.01 -0.70 -0.56 0.00 -0.03 0.00 0.00 54.58 53.30 2ntl n ASN 109 Cb 0.03 -4.16 -0.07 0.00 -0.61 0.00 0.00 39.78 34.97 2ntl n ASN 109 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2ntl n THR 110 N -4.74 0.19 -1.22 3.41 -1.04 -1.21 -4.49 114.28 105.17 2ntl n THR 110 Ca 0.03 -0.03 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 2ntl n THR 110 Cb 0.54 -1.04 0.10 0.00 -1.82 0.00 0.00 70.33 68.11 2ntl n THR 110 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2ntl s PRO 111 N 2.42 1.98 -0.19 -2.82 0.02 -1.26 0.31 135.00 135.46 2ntl s PRO 111 Ca 0.94 1.43 -0.06 0.00 0.02 0.00 0.00 61.00 63.33 2ntl s PRO 111 Cb -1.05 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 31.59 2ntl s PRO 111 CO 0.60 -1.89 0.03 1.03 -0.33 0.00 0.00 177.00 176.44 2ntl s ARG 112 N -4.49 3.77 0.22 5.54 0.52 -0.84 -4.70 118.95 118.96 2ntl s ARG 112 Ca 0.66 -0.45 0.12 0.00 -0.52 0.00 0.00 55.73 55.54 2ntl s ARG 112 Cb -0.22 -3.14 -0.05 0.00 0.52 0.00 0.00 34.95 32.07 2ntl s ARG 112 CO 0.52 0.12 -0.23 0.96 0.02 0.00 0.00 175.30 176.70 2ntl s ILE 113 N 0.73 2.39 0.08 1.52 -4.36 -1.26 -1.14 121.20 119.15 2ntl s ILE 113 Ca 0.01 -2.15 -0.27 0.00 -0.26 0.00 0.00 60.65 57.99 2ntl s ILE 113 Cb -0.14 -2.18 0.08 0.00 1.25 0.00 0.00 42.46 41.48 2ntl s ILE 113 CO 0.02 -0.21 0.88 0.00 0.24 0.00 0.00 174.94 175.87 2ntl s ALA 114 N -1.94 -1.72 0.02 2.27 0.00 -0.25 -2.93 121.76 117.22 2ntl s ALA 114 Ca 0.24 0.60 -0.25 0.00 0.00 0.00 0.00 51.96 52.54 2ntl s ALA 114 Cb -0.07 0.56 0.06 0.00 0.00 0.00 0.00 23.12 23.67 2ntl s ALA 114 CO 0.11 -0.83 0.57 0.00 0.00 0.00 0.00 175.76 175.61 2ntl s ALA 115 N -3.28 -1.47 -0.04 0.00 0.00 -0.02 0.36 121.76 117.31 2ntl s ALA 115 Ca 0.07 0.83 -0.07 0.00 0.00 0.00 0.00 51.96 52.79 2ntl s ALA 115 Cb -0.01 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.39 2ntl s ALA 115 CO -0.05 -0.46 0.18 0.00 0.00 0.00 0.00 175.76 175.43 2ntl s ALA 116 N -2.03 -0.44 -0.07 0.00 0.00 -0.19 -0.75 121.76 118.28 2ntl s ALA 116 Ca -0.07 0.28 -0.06 0.00 0.00 0.00 0.00 51.96 52.11 2ntl s ALA 116 Cb -0.01 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.99 2ntl s ALA 116 CO 0.02 -0.14 0.19 -1.50 0.00 0.00 0.00 175.76 174.32 2ntl s ILE 117 N -0.52 -0.00 0.00 0.00 2.07 0.27 -1.11 121.20 121.90 2ntl s ILE 117 Ca -0.06 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 2ntl s ILE 117 Cb -0.04 -0.27 0.00 0.00 0.13 0.00 0.00 42.46 42.28 2ntl s ILE 117 CO 0.01 0.00 0.00 -0.46 -1.91 0.00 0.00 174.94 172.58 2ntl n ASN 118 N 2.99 0.56 -0.21 4.50 0.23 -0.52 -0.43 115.26 122.37 2ntl n ASN 118 Ca -0.13 -0.68 0.09 0.00 -0.53 0.00 0.00 54.58 53.33 2ntl n ASN 118 Cb 0.59 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.65 2ntl n ASN 118 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2ntl h GLY 119 N 0.00 1.02 0.00 4.83 0.00 -2.02 -3.33 103.07 103.57 2ntl h GLY 119 Ca 0.00 -0.30 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 2ntl h GLY 119 CO 0.00 0.18 -1.64 -1.14 0.00 0.00 0.00 176.54 173.94 2ntl n SER 120 N -4.50 2.45 -4.11 0.19 3.41 -1.26 -5.08 113.62 104.72 2ntl n SER 120 Ca 0.13 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.63 2ntl n SER 120 Cb 0.32 1.02 -0.08 0.00 -0.26 0.00 0.00 64.21 65.21 2ntl n SER 120 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2ntl s GLU 121 N -2.43 1.34 -0.09 4.33 -1.05 -1.25 -5.10 118.70 114.44 2ntl s GLU 121 Ca -0.05 -1.50 -0.15 0.00 -0.15 0.00 0.00 54.97 53.13 2ntl s GLU 121 Cb 0.04 0.34 0.03 0.00 -0.44 0.00 0.00 34.13 34.11 2ntl s GLU 121 CO 0.44 -0.49 0.37 0.00 0.95 0.00 0.00 175.26 176.53 2ntl s ALA 122 N -4.09 -0.93 0.07 -0.84 0.00 -1.26 -1.44 121.76 113.26 2ntl s ALA 122 Ca 0.33 0.81 0.03 0.00 0.00 0.00 0.00 51.96 53.13 2ntl s ALA 122 Cb 0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 2ntl s ALA 122 CO 0.11 -0.22 -0.10 -0.06 0.00 0.00 0.00 175.76 175.49 2ntl s PHE 123 N -0.45 0.91 0.03 0.00 0.40 -0.27 -0.65 117.98 117.95 2ntl s PHE 123 Ca -0.06 -0.55 0.03 0.00 -0.60 0.00 0.00 56.93 55.75 2ntl s PHE 123 Cb -0.04 -0.52 -0.02 0.00 0.51 0.00 0.00 43.02 42.96 2ntl s PHE 123 CO 0.02 -0.03 -0.09 -1.50 0.70 0.00 0.00 175.22 174.32 2ntl s ILE 124 N -1.74 0.65 0.19 0.64 2.07 -0.24 -1.02 121.20 121.76 2ntl s ILE 124 Ca -0.03 -0.81 -0.16 0.00 -1.41 0.00 0.00 60.65 58.24 2ntl s ILE 124 Cb -0.07 -0.64 0.02 0.00 0.13 0.00 0.00 42.46 41.90 2ntl s ILE 124 CO 0.00 -0.14 0.48 -0.83 -1.91 0.00 0.00 174.94 172.54 2ntl s GLY 125 N -1.05 0.07 -0.05 1.50 0.00 0.16 -0.37 107.32 107.57 2ntl s GLY 125 Ca -0.04 -0.40 -0.20 0.00 0.00 0.00 0.00 44.72 44.08 2ntl s GLY 125 CO 0.00 -0.40 0.45 -1.50 0.00 0.00 0.00 173.10 171.65 2ntl s ILE 126 N -3.90 0.03 -0.05 0.90 2.07 0.15 -1.09 121.20 119.31 2ntl s ILE 126 Ca 0.12 -0.26 0.01 0.00 -1.41 0.00 0.00 60.65 59.11 2ntl s ILE 126 Cb -0.00 -0.74 0.02 0.00 0.13 0.00 0.00 42.46 41.87 2ntl s ILE 126 CO -0.01 -0.14 -0.06 0.54 -1.91 0.00 0.00 174.94 173.36 2ntl s VAL 127 N -1.08 0.62 0.32 4.00 0.11 -0.29 -0.39 120.40 123.69 2ntl s VAL 127 Ca -0.11 -0.18 0.06 0.00 -2.93 0.00 0.00 61.98 58.82 2ntl s VAL 127 Cb -0.03 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 2ntl s VAL 127 CO 0.06 0.24 0.24 0.42 -3.33 0.00 0.00 175.10 172.73 2ntl s THR 128 N 0.87 0.08 0.36 5.04 -4.23 0.10 -1.98 115.64 115.87 2ntl s THR 128 Ca -0.12 -2.00 0.38 0.00 -1.18 0.00 0.00 61.69 58.77 2ntl s THR 128 Cb -0.15 -2.48 0.39 0.00 1.34 0.00 0.00 72.50 71.60 2ntl s THR 128 CO 0.01 0.00 2.15 0.00 -0.54 0.00 0.00 174.62 176.24 2ntl h ALA 129 N 2.17 1.00 -0.01 3.99 0.00 -1.96 -2.16 119.26 122.29 2ntl h ALA 129 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2ntl h ALA 129 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2ntl h ALA 129 CO 0.41 0.00 -0.49 -0.25 0.00 0.00 0.00 179.25 178.92 2ntl n ASP 130 N -2.89 1.85 0.00 0.00 8.00 -1.26 -5.08 116.55 117.17 2ntl n ASP 130 Ca -0.02 -1.42 0.00 0.00 0.71 0.00 0.00 54.79 54.06 2ntl n ASP 130 Cb 0.11 0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 2ntl n ASP 130 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ntl n GLY 131 N 1.37 -1.45 2.91 0.44 0.00 -0.81 -5.13 105.19 102.51 2ntl n GLY 131 Ca 0.08 -1.18 -0.16 0.00 0.00 0.00 0.00 46.02 44.77 2ntl n GLY 131 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ntl s LEU 132 N 0.00 1.76 -0.10 0.99 2.96 -1.26 0.03 118.68 123.06 2ntl s LEU 132 Ca 0.00 -0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.79 2ntl s LEU 132 Cb 0.00 -0.23 0.04 0.00 0.50 0.00 0.00 46.19 46.50 2ntl s LEU 132 CO 0.00 0.01 0.24 -0.32 -1.32 0.00 0.00 176.35 174.96 2ntl s MET 133 N 0.24 0.21 -0.04 1.98 -2.45 0.47 -5.01 119.30 114.71 2ntl s MET 133 Ca -0.02 0.51 -0.01 0.00 -1.25 0.00 0.00 55.69 54.91 2ntl s MET 133 Cb -0.05 -0.10 0.03 0.00 1.25 0.00 0.00 34.83 35.96 2ntl s MET 133 CO -0.00 -0.15 0.04 0.08 1.05 0.00 0.00 175.02 176.03 2ntl s VAL 134 N 1.15 -0.00 0.04 10.11 1.01 -1.26 0.31 120.40 131.75 2ntl s VAL 134 Ca -0.08 0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.15 2ntl s VAL 134 Cb -0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 2ntl s VAL 134 CO -0.08 0.16 0.05 -0.94 0.00 0.00 0.00 175.10 174.29 2ntl s SER 135 N 1.71 0.24 0.22 3.32 1.04 0.50 -4.97 113.70 115.75 2ntl s SER 135 Ca -0.01 -0.61 -0.31 0.00 0.48 0.00 0.00 55.95 55.51 2ntl s SER 135 Cb -0.12 0.20 -0.10 0.00 0.10 0.00 0.00 66.02 66.09 2ntl s SER 135 CO -0.03 -0.48 1.50 -0.60 0.98 0.00 0.00 173.24 174.60 2ntl s ARG 136 N -2.61 4.24 -0.11 4.02 3.52 -1.26 -1.08 118.95 125.66 2ntl s ARG 136 Ca -0.05 2.34 -0.28 0.00 -0.13 0.00 0.00 55.73 57.61 2ntl s ARG 136 Cb -0.01 -3.12 -0.01 0.00 -1.56 0.00 0.00 34.95 30.24 2ntl s ARG 136 CO -0.05 -0.51 0.95 0.08 -0.81 0.00 0.00 175.30 174.97 2ntl s VAL 137 N 0.44 4.82 0.22 7.11 1.01 0.18 -4.88 120.40 129.30 2ntl s VAL 137 Ca 0.64 1.92 -0.31 0.00 0.00 0.00 0.00 61.98 64.23 2ntl s VAL 137 Cb -0.43 -4.26 -0.11 0.00 0.00 0.00 0.00 36.38 31.58 2ntl s VAL 137 CO 0.39 0.03 1.61 -2.16 0.00 0.00 0.00 175.10 174.96 2ntl s PRO 138 N 1.95 4.17 0.50 2.72 0.04 -1.26 -4.67 135.00 138.45 2ntl s PRO 138 Ca 0.46 2.49 0.24 0.00 0.04 0.00 0.00 61.00 64.23 2ntl s PRO 138 Cb -0.18 -3.09 1.30 0.00 0.04 0.00 0.00 34.50 32.57 2ntl s PRO 138 CO 0.17 -0.64 2.03 0.93 0.04 0.00 0.00 177.00 179.53 2ntl h GLU 139 N 6.12 0.00 0.00 4.56 4.39 -1.97 -2.46 114.58 125.22 2ntl h GLU 139 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2ntl h GLU 139 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2ntl h GLU 139 CO 0.88 0.15 0.00 1.05 -1.16 0.00 0.00 179.01 179.94 2ntl h GLU 140 N 0.00 0.00 -1.62 2.33 4.11 -1.95 -3.45 114.58 114.00 2ntl h GLU 140 Ca -0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.49 2ntl h GLU 140 Cb 0.39 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.39 2ntl h GLU 140 CO 0.02 0.00 0.46 -0.08 0.07 0.00 0.00 179.01 179.48 2ntl s THR 141 N -3.71 0.00 0.54 -1.06 -1.32 -0.93 -5.10 115.64 104.07 2ntl s THR 141 Ca -0.01 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.28 2ntl s THR 141 Cb 0.10 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 70.03 2ntl s THR 141 CO 0.41 0.00 1.11 -2.84 -2.21 0.00 0.00 174.62 171.09 2ntl s PRO 142 N -0.14 3.38 0.27 7.08 0.02 -1.26 -4.38 135.00 139.97 2ntl s PRO 142 Ca 0.01 1.56 0.03 0.00 0.02 0.00 0.00 61.00 62.62 2ntl s PRO 142 Cb -0.04 -2.01 -0.06 0.00 0.02 0.00 0.00 34.50 32.41 2ntl s PRO 142 CO -0.03 -0.82 0.06 0.14 -0.33 0.00 0.00 177.00 176.02 2ntl s VAL 143 N -1.85 0.87 0.11 3.83 -7.23 -0.61 -1.54 120.40 113.99 2ntl s VAL 143 Ca 0.71 -2.01 -0.08 0.00 -1.81 0.00 0.00 61.98 58.79 2ntl s VAL 143 Cb -0.22 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.11 2ntl s VAL 143 CO 0.27 -0.09 0.21 -0.72 -0.31 0.00 0.00 175.10 174.46 2ntl s TYR 144 N -3.53 0.26 0.09 2.82 -0.85 -0.54 -1.02 117.35 114.57 2ntl s TYR 144 Ca 0.35 -0.67 -0.16 0.00 -0.52 0.00 0.00 57.07 56.07 2ntl s TYR 144 Cb 0.08 -0.08 0.03 0.00 0.38 0.00 0.00 41.96 42.37 2ntl s TYR 144 CO 0.13 -0.60 0.38 -1.50 -1.52 0.00 0.00 175.55 172.44 2ntl s ILE 145 N -3.90 0.07 0.27 -3.49 2.07 0.02 -1.35 121.20 114.89 2ntl s ILE 145 Ca 0.09 -0.60 0.02 0.00 -1.41 0.00 0.00 60.65 58.76 2ntl s ILE 145 Cb 0.04 -1.09 -0.04 0.00 0.13 0.00 0.00 42.46 41.51 2ntl s ILE 145 CO -0.07 -0.33 0.14 -0.94 -1.91 0.00 0.00 174.94 171.83 2ntl s SER 146 N -2.47 1.16 0.31 4.50 1.04 0.59 -1.64 113.70 117.19 2ntl s SER 146 Ca -0.00 -1.49 0.19 0.00 0.48 0.00 0.00 55.95 55.13 2ntl s SER 146 Cb 0.01 0.34 0.14 0.00 0.10 0.00 0.00 66.02 66.61 2ntl s SER 146 CO -0.08 -0.85 1.41 0.71 0.98 0.00 0.00 173.24 175.42 2ntl h THR 147 N 2.34 0.42 -4.18 2.02 1.35 -1.27 -3.35 112.91 110.25 2ntl h THR 147 Ca -0.35 -1.63 -0.48 0.00 -0.55 0.00 0.00 66.41 63.41 2ntl h THR 147 Cb 1.25 2.14 -0.29 0.00 -1.73 0.00 0.00 68.15 69.52 2ntl h THR 147 CO 0.54 0.24 -0.81 -0.31 -0.25 0.00 0.00 175.52 174.93 2ntl s TYR 148 N -3.09 1.22 0.00 4.73 4.12 -0.44 -4.44 117.35 119.45 2ntl s TYR 148 Ca 0.04 -0.23 0.00 0.00 0.02 0.00 0.00 57.07 56.90 2ntl s TYR 148 Cb 0.07 -0.79 0.00 0.00 -1.52 0.00 0.00 41.96 39.72 2ntl s TYR 148 CO 0.73 -0.02 0.00 0.39 0.02 0.00 0.00 175.55 176.66 2ntl n GLU 149 N 2.76 0.00 -1.48 -0.62 -0.58 -1.26 -4.34 120.64 115.13 2ntl n GLU 149 Ca -0.14 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.20 2ntl n GLU 149 Cb 0.55 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.41 2ntl n GLU 149 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2ntl n GLN 150 N 0.00 3.08 -0.72 3.49 -0.06 -1.26 -4.69 117.38 117.22 2ntl n GLN 150 Ca 0.00 -2.34 -0.14 0.00 -2.00 0.00 0.00 57.00 52.52 2ntl n GLN 150 Cb 0.00 -3.03 0.07 0.00 -4.06 0.00 0.00 30.24 23.22 2ntl n GLN 150 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2ntl n THR 151 N 4.49 2.35 -3.61 1.69 -2.24 -1.26 -0.30 114.28 115.40 2ntl n THR 151 Ca 0.62 -1.22 -0.16 0.00 -2.27 0.00 0.00 64.05 61.02 2ntl n THR 151 Cb 0.31 -0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 67.53 2ntl n THR 151 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2ntl s GLU 152 N -1.73 0.91 0.30 -0.78 -1.05 -1.26 -4.98 118.70 110.10 2ntl s GLU 152 Ca 0.30 0.13 -0.29 0.00 -0.15 0.00 0.00 54.97 54.96 2ntl s GLU 152 Cb 0.24 0.42 -0.13 0.00 -0.44 0.00 0.00 34.13 34.22 2ntl s GLU 152 CO 0.03 -0.27 1.17 -2.30 0.95 0.00 0.00 175.26 174.85 2ntl n PRO 153 N 1.11 1.72 -4.24 -4.83 -0.02 -1.26 -4.72 135.00 122.76 2ntl n PRO 153 Ca -0.20 0.61 -0.21 0.00 -2.02 0.00 0.00 63.50 61.68 2ntl n PRO 153 Cb 0.57 -2.10 -0.16 0.00 -0.02 0.00 0.00 33.50 31.78 2ntl n PRO 153 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ntl s ALA 154 N -0.91 0.81 0.56 3.55 0.00 -0.46 -4.94 121.76 120.37 2ntl s ALA 154 Ca 0.59 -0.14 -0.21 0.00 0.00 0.00 0.00 51.96 52.20 2ntl s ALA 154 Cb -0.65 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 2ntl s ALA 154 CO 0.59 -0.00 1.30 0.00 0.00 0.00 0.00 175.76 177.65 2ntl s ALA 155 N 0.89 2.72 -0.19 0.00 0.00 -1.26 -1.46 121.76 122.46 2ntl s ALA 155 Ca -0.11 1.21 -0.16 0.00 0.00 0.00 0.00 51.96 52.90 2ntl s ALA 155 Cb -0.15 -3.52 0.05 0.00 0.00 0.00 0.00 23.12 19.50 2ntl s ALA 155 CO 0.01 -1.29 0.49 -0.08 0.00 0.00 0.00 175.76 174.89 2ntl s THR 156 N -1.39 -0.00 -0.79 0.00 -1.32 -0.59 -4.87 115.64 106.68 2ntl s THR 156 Ca 0.73 0.01 -0.23 0.00 -1.21 0.00 0.00 61.69 61.00 2ntl s THR 156 Cb -0.37 -0.69 0.07 0.00 -1.51 0.00 0.00 72.50 70.00 2ntl s THR 156 CO 0.42 0.00 1.14 -0.70 -2.21 0.00 0.00 174.62 173.27 2ntl s GLU 157 N 0.43 3.30 -0.71 7.08 2.12 -1.26 -4.02 118.70 125.64 2ntl s GLU 157 Ca -0.01 -0.96 -0.17 0.00 0.36 0.00 0.00 54.97 54.18 2ntl s GLU 157 Cb -0.04 -4.54 0.14 0.00 0.26 0.00 0.00 34.13 29.95 2ntl s GLU 157 CO -0.01 -1.93 0.78 0.12 -0.54 0.00 0.00 175.26 173.67 2ntl s PHE 158 N 4.24 3.24 -0.18 5.30 5.36 -1.26 -5.00 117.98 129.67 2ntl s PHE 158 Ca 0.31 -1.33 -0.19 0.00 -0.96 0.00 0.00 56.93 54.75 2ntl s PHE 158 Cb -0.10 -3.99 -0.03 0.00 -0.34 0.00 0.00 43.02 38.55 2ntl s PHE 158 CO 0.04 -1.23 0.54 -1.59 -1.46 0.00 0.00 175.22 171.52 2ntl s LYS 159 N 1.95 4.23 -0.27 10.12 -2.85 -1.26 -4.84 119.74 126.81 2ntl s LYS 159 Ca 0.16 0.48 -0.26 0.00 -1.00 0.00 0.00 55.97 55.35 2ntl s LYS 159 Cb -0.18 -3.54 0.16 0.00 -2.06 0.00 0.00 37.83 32.21 2ntl s LYS 159 CO -0.01 -0.11 1.23 0.00 0.10 0.00 0.00 175.35 176.57 2ntl s ALA 160 N 1.50 -2.09 0.00 0.59 0.00 -1.26 -4.80 121.76 115.70 2ntl s ALA 160 Ca 0.26 1.76 0.00 0.00 0.00 0.00 0.00 51.96 53.98 2ntl s ALA 160 Cb -0.16 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.46 2ntl s ALA 160 CO 0.10 -0.19 0.93 0.41 0.00 0.00 0.00 175.76 177.01 2ntl n GLY 161 N 1.59 2.36 3.54 0.00 0.00 -1.26 -4.65 105.19 106.78 2ntl n GLY 161 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 2ntl n GLY 161 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ntl s SER 162 N -0.86 -0.46 0.34 1.61 1.04 -1.26 -4.96 113.70 109.14 2ntl s SER 162 Ca 0.00 -0.15 0.01 0.00 0.48 0.00 0.00 55.95 56.29 2ntl s SER 162 Cb 0.00 0.60 0.58 0.00 0.10 0.00 0.00 66.02 67.30 2ntl s SER 162 CO 0.00 -1.01 1.98 1.55 0.98 0.00 0.00 173.24 176.74 2ntl h PRO 163 N 2.00 0.86 -0.18 4.02 0.13 -1.88 0.15 132.00 137.10 2ntl h PRO 163 Ca -0.29 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 2ntl h PRO 163 Cb 1.29 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2ntl h PRO 163 CO 0.33 0.60 0.09 0.93 -0.23 0.00 0.00 178.00 179.72 2ntl h GLU 164 N 0.88 0.26 -0.50 0.86 3.07 -1.89 -0.13 114.58 117.13 2ntl h GLU 164 Ca 0.23 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 59.02 2ntl h GLU 164 Cb -0.05 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.79 2ntl h GLU 164 CO -0.05 0.27 0.14 0.93 -1.40 0.00 0.00 179.01 178.91 2ntl h GLU 165 N 0.18 0.78 -0.39 2.33 5.08 -1.85 -1.09 114.58 119.61 2ntl h GLU 165 Ca 0.06 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2ntl h GLU 165 Cb 0.09 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2ntl h GLU 165 CO -0.01 0.74 0.23 0.00 -1.00 0.00 0.00 179.01 178.97 2ntl h ALA 166 N 1.00 0.50 -0.63 3.43 0.00 -0.79 0.16 119.26 122.93 2ntl h ALA 166 Ca 0.16 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2ntl h ALA 166 Cb 0.30 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2ntl h ALA 166 CO -0.00 -0.10 0.19 0.00 0.00 0.00 0.00 179.25 179.33 2ntl h ALA 167 N 1.18 0.82 -0.72 0.00 0.00 -0.84 -2.43 119.26 117.27 2ntl h ALA 167 Ca 0.16 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2ntl h ALA 167 Cb 0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2ntl h ALA 167 CO -0.07 0.50 0.21 1.49 0.00 0.00 0.00 179.25 181.38 2ntl h GLU 168 N 0.91 1.12 -0.30 0.00 4.57 -0.72 -2.76 114.58 117.39 2ntl h GLU 168 Ca 0.20 -0.24 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 2ntl h GLU 168 Cb 0.30 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2ntl h GLU 168 CO -0.00 0.96 0.04 0.35 -1.18 0.00 0.00 179.01 179.17 2ntl h PHE 169 N 1.07 0.54 0.00 0.92 3.57 -0.40 0.63 116.94 123.26 2ntl h PHE 169 Ca 0.23 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2ntl h PHE 169 Cb 0.32 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.91 2ntl h PHE 169 CO 0.03 0.60 0.00 0.97 -2.23 0.00 0.00 178.31 177.68 2ntl h ILE 170 N 0.32 0.00 0.12 1.41 2.10 -1.44 0.27 117.51 120.29 2ntl h ILE 170 Ca 0.09 -0.30 -0.34 0.00 1.08 0.00 0.00 64.86 65.39 2ntl h ILE 170 Cb 0.36 1.10 -0.02 0.00 -1.09 0.00 0.00 36.82 37.17 2ntl h ILE 170 CO 0.01 0.00 -1.84 0.25 -1.08 0.00 0.00 178.15 175.48 2ntl h LEU 171 N 0.00 0.39 0.00 2.19 5.85 -1.15 -3.45 115.31 119.13 2ntl h LEU 171 Ca 0.00 -0.89 0.00 0.00 0.84 0.00 0.00 57.88 57.83 2ntl h LEU 171 Cb 0.43 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2ntl h LEU 171 CO 0.00 1.79 -0.18 0.29 -0.34 0.00 0.00 178.44 180.00 2ntl n LYS 172 N -3.65 3.63 -1.31 1.25 5.02 0.17 -4.70 118.16 118.58 2ntl n LYS 172 Ca -0.31 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.70 2ntl n LYS 172 Cb 1.00 -0.48 0.16 0.00 -0.02 0.00 0.00 35.03 35.69 2ntl n LYS 172 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2ntl s GLY 173 N -0.44 1.57 0.00 0.72 0.00 0.95 -3.62 107.32 106.50 2ntl s GLY 173 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.29 2ntl s GLY 173 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 173.10 173.87 2ntl n GLY 174 N -1.54 0.24 0.36 0.20 0.00 -1.26 -1.01 105.19 102.17 2ntl n GLY 174 Ca 0.06 -0.02 0.18 0.00 0.00 0.00 0.00 46.02 46.25 2ntl n GLY 174 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ntl h GLU 175 N 0.00 0.00 0.00 1.61 9.09 -1.93 -1.52 114.58 121.83 2ntl h GLU 175 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2ntl h GLU 175 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2ntl h GLU 175 CO 0.00 0.00 0.00 0.74 0.05 0.00 0.00 179.01 179.80 2ntl h PHE 176 N 0.00 0.00 -0.16 2.06 -1.00 -1.36 -2.78 116.94 113.70 2ntl h PHE 176 Ca 0.15 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.88 2ntl h PHE 176 Cb 0.75 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.30 2ntl h PHE 176 CO 0.00 0.00 -0.12 0.00 -1.61 0.00 0.00 178.31 176.58 2ntl h ALA 177 N 2.08 1.51 0.00 2.45 0.00 -0.11 -2.66 119.26 122.54 2ntl h ALA 177 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2ntl h ALA 177 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2ntl h ALA 177 CO 0.00 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.60 2ntl h ALA 178 N 1.65 1.00 -2.18 0.00 0.00 -1.68 -3.44 119.26 114.61 2ntl h ALA 178 Ca 0.05 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.39 2ntl h ALA 178 Cb 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2ntl h ALA 178 CO 0.02 0.00 0.73 -0.06 0.00 0.00 0.00 179.25 179.94 2ntl s PHE 179 N -3.38 3.30 0.72 0.00 0.08 -1.00 -4.89 117.98 112.81 2ntl s PHE 179 Ca 0.05 1.40 -0.11 0.00 0.12 0.00 0.00 56.93 58.39 2ntl s PHE 179 Cb 0.08 -3.30 0.02 0.00 -0.57 0.00 0.00 43.02 39.25 2ntl s PHE 179 CO 0.59 -0.71 1.07 0.95 -0.10 0.00 0.00 175.22 177.02 2ntl s THR 180 N 2.73 3.82 -1.09 0.64 -4.23 -0.66 -4.49 115.64 112.36 2ntl s THR 180 Ca 0.49 0.59 -0.02 0.00 -1.18 0.00 0.00 61.69 61.57 2ntl s THR 180 Cb -0.18 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.37 2ntl s THR 180 CO 0.13 -0.77 0.92 1.41 -0.54 0.00 0.00 174.62 175.77 2ntl n HIS 181 N -3.23 -2.06 -2.17 3.99 8.25 -1.26 -4.67 115.22 114.06 2ntl n HIS 181 Ca 0.08 0.84 -0.38 0.00 -0.26 0.00 0.00 57.72 58.00 2ntl n HIS 181 Cb 0.54 -4.70 -0.01 0.00 1.12 0.00 0.00 29.99 26.94 2ntl n HIS 181 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2ntl s PRO 182 N -5.40 3.86 0.06 -0.41 0.02 -1.26 -2.15 135.00 129.72 2ntl s PRO 182 Ca 0.11 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.07 2ntl s PRO 182 Cb -0.05 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 31.89 2ntl s PRO 182 CO 0.64 -0.52 0.00 0.28 -0.33 0.00 0.00 177.00 177.08 2ntl n VAL 183 N -0.18 0.30 -3.46 3.83 0.31 -0.44 -4.87 118.33 113.82 2ntl n VAL 183 Ca 0.06 0.10 -0.12 0.00 -0.01 0.00 0.00 64.34 64.37 2ntl n VAL 183 Cb 0.46 -1.17 -0.02 0.00 -0.91 0.00 0.00 33.84 32.20 2ntl n VAL 183 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2ntl s THR 184 N -2.00 0.01 0.15 2.52 -1.32 -1.19 -4.08 115.64 109.73 2ntl s THR 184 Ca 0.00 -0.11 -0.10 0.00 -1.21 0.00 0.00 61.69 60.27 2ntl s THR 184 Cb 0.00 -1.06 -0.00 0.00 -1.51 0.00 0.00 72.50 69.93 2ntl s THR 184 CO 0.00 -0.04 0.29 0.00 -2.21 0.00 0.00 174.62 172.66 2ntl s ALA 185 N -3.76 -0.20 0.15 11.08 0.00 -0.72 -0.25 121.76 128.05 2ntl s ALA 185 Ca 0.02 -0.71 -0.15 0.00 0.00 0.00 0.00 51.96 51.12 2ntl s ALA 185 Cb -0.01 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.89 2ntl s ALA 185 CO -0.12 -0.63 0.40 0.00 0.00 0.00 0.00 175.76 175.41 2ntl s ALA 186 N -3.92 -0.74 0.20 0.00 0.00 0.14 -1.39 121.76 116.05 2ntl s ALA 186 Ca 0.13 -0.27 -0.20 0.00 0.00 0.00 0.00 51.96 51.62 2ntl s ALA 186 Cb 0.03 0.75 0.04 0.00 0.00 0.00 0.00 23.12 23.93 2ntl s ALA 186 CO -0.04 -0.68 0.58 0.00 0.00 0.00 0.00 175.76 175.63 2ntl s ALA 187 N -3.85 -1.16 -0.06 0.00 0.00 -0.20 -0.49 121.76 116.00 2ntl s ALA 187 Ca 0.07 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.98 2ntl s ALA 187 Cb 0.02 0.86 0.02 0.00 0.00 0.00 0.00 23.12 24.02 2ntl s ALA 187 CO -0.08 -0.84 -0.07 0.00 0.00 0.00 0.00 175.76 174.77 2ntl s ALA 188 N -3.85 0.98 0.09 0.00 0.00 -0.30 -1.96 121.76 116.72 2ntl s ALA 188 Ca 0.08 -0.26 0.09 0.00 0.00 0.00 0.00 51.96 51.86 2ntl s ALA 188 Cb -0.02 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 2ntl s ALA 188 CO -0.03 -0.06 -0.22 0.12 0.00 0.00 0.00 175.76 175.56 2ntl s PHE 189 N 1.01 1.93 -0.23 0.00 5.36 -0.23 -2.04 117.98 123.79 2ntl s PHE 189 Ca -0.09 -0.40 -0.04 0.00 -0.96 0.00 0.00 56.93 55.45 2ntl s PHE 189 Cb -0.14 -1.09 0.08 0.00 -0.34 0.00 0.00 43.02 41.53 2ntl s PHE 189 CO -0.00 0.20 0.09 1.21 -1.46 0.00 0.00 175.22 175.25 2ntl s ASN 190 N -1.70 3.05 0.00 6.13 3.84 -0.08 -0.88 114.94 125.31 2ntl s ASN 190 Ca 0.08 -1.00 0.20 0.00 0.21 0.00 0.00 52.86 52.36 2ntl s ASN 190 Cb -0.10 -0.44 0.78 0.00 -0.55 0.00 0.00 41.25 40.94 2ntl s ASN 190 CO 0.04 -0.37 1.56 -0.90 -2.79 0.00 0.00 177.10 174.63 2ntl n ASP 191 N 5.16 1.44 0.00 -4.21 5.68 -1.26 -1.17 116.55 122.19 2ntl n ASP 191 Ca -0.07 -1.68 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 2ntl n ASP 191 Cb 0.46 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 2ntl n ASP 191 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ntl n GLY 192 N 1.08 2.11 1.20 6.12 0.00 -1.26 -4.89 105.19 109.55 2ntl n GLY 192 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 2ntl n GLY 192 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ntl n GLU 193 N 0.00 3.13 0.00 1.61 1.02 -1.26 -5.06 120.64 120.09 2ntl n GLU 193 Ca 0.00 -2.60 0.00 0.00 -0.02 0.00 0.00 57.16 54.54 2ntl n GLU 193 Cb 0.00 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 2ntl n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ntl n GLY 194 N 0.99 3.11 3.71 0.62 0.00 -1.26 -5.05 105.19 107.31 2ntl n GLY 194 Ca 0.21 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 2ntl n GLY 194 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ntl s TRP 195 N -2.58 3.63 0.05 1.61 0.52 -1.26 -4.22 118.94 116.69 2ntl s TRP 195 Ca 0.00 1.67 0.09 0.00 0.02 0.00 0.00 56.10 57.87 2ntl s TRP 195 Cb 0.00 -3.14 -0.03 0.00 -1.15 0.00 0.00 33.47 29.15 2ntl s TRP 195 CO 0.00 -0.10 -0.25 -0.80 0.02 0.00 0.00 176.95 175.83 2ntl s ASN 196 N 1.03 2.95 0.26 2.95 0.01 -0.05 -4.94 114.94 117.15 2ntl s ASN 196 Ca 0.52 -0.57 0.08 0.00 -0.71 0.00 0.00 52.86 52.18 2ntl s ASN 196 Cb -0.21 -0.26 -0.04 0.00 0.41 0.00 0.00 41.25 41.15 2ntl s ASN 196 CO 0.27 0.23 0.10 -0.76 -1.51 0.00 0.00 177.10 175.42 2ntl s LEU 197 N -1.25 3.49 -0.03 0.60 1.43 -1.26 -1.07 118.68 120.60 2ntl s LEU 197 Ca 0.10 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 2ntl s LEU 197 Cb -0.10 -2.02 0.10 0.00 0.03 0.00 0.00 46.19 44.21 2ntl s LEU 197 CO 0.02 -0.03 0.87 0.00 0.23 0.00 0.00 176.35 177.44 2ntl s ALA 198 N -2.24 -1.83 0.12 4.21 0.00 -0.83 -4.81 121.76 116.39 2ntl s ALA 198 Ca 0.32 1.14 0.04 0.00 0.00 0.00 0.00 51.96 53.46 2ntl s ALA 198 Cb -0.07 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2ntl s ALA 198 CO 0.22 -0.58 -0.09 0.95 0.00 0.00 0.00 175.76 176.26 2ntl s THR 199 N -2.52 1.01 -0.08 0.00 -4.23 -1.26 -1.03 115.64 107.53 2ntl s THR 199 Ca 0.02 -1.93 -0.04 0.00 -1.18 0.00 0.00 61.69 58.56 2ntl s THR 199 Cb -0.01 -1.69 0.04 0.00 1.34 0.00 0.00 72.50 72.18 2ntl s THR 199 CO -0.05 -0.72 0.19 -0.13 -0.54 0.00 0.00 174.62 173.37 2ntl s ARG 200 N -3.51 0.15 0.39 3.99 1.81 -0.49 -4.95 118.95 116.34 2ntl s ARG 200 Ca 0.13 0.42 0.08 0.00 -1.72 0.00 0.00 55.73 54.64 2ntl s ARG 200 Cb 0.02 -0.13 -0.00 0.00 -0.45 0.00 0.00 34.95 34.39 2ntl s ARG 200 CO -0.01 -0.15 0.50 -1.21 -0.68 0.00 0.00 175.30 173.75 2ntl s GLU 201 N 1.10 2.85 0.00 3.54 0.41 -1.26 -1.76 118.70 123.58 2ntl s GLU 201 Ca -0.08 -1.23 0.16 0.00 -0.41 0.00 0.00 54.97 53.41 2ntl s GLU 201 Cb -0.10 -2.70 0.97 0.00 -1.78 0.00 0.00 34.13 30.52 2ntl s GLU 201 CO -0.06 -0.15 1.38 -1.33 -0.49 0.00 0.00 175.26 174.61