#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 3.23 -1.32 1.12 5.04 -1.26 -1.42 117.35 122.73 2ntl s TYR 2 Ca 0.00 -0.86 0.24 0.00 -2.44 0.00 0.00 57.07 54.01 2ntl s TYR 2 Cb 0.00 -3.13 0.34 0.00 0.35 0.00 0.00 41.96 39.52 2ntl s TYR 2 CO 0.00 -0.79 1.30 1.28 -1.34 0.00 0.00 175.55 176.00 2ntl n LEU 3 N 5.27 0.93 0.00 6.97 4.32 -1.26 -4.68 117.00 128.56 2ntl n LEU 3 Ca -0.12 -0.27 0.00 0.00 -0.02 0.00 0.00 56.01 55.60 2ntl n LEU 3 Cb 0.44 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 2ntl n LEU 3 CO 0.47 0.20 0.00 0.61 -1.22 0.00 0.00 177.39 177.45 2ntl n GLY 4 N 1.45 1.42 3.74 -0.72 0.00 -1.26 -1.49 105.19 108.32 2ntl n GLY 4 Ca 0.07 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 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 4.46 0.05 1.61 3.00 -1.26 -3.49 118.95 123.32 2ntl s ARG 5 Ca 0.00 1.92 0.06 0.00 0.00 0.00 0.00 55.73 57.71 2ntl s ARG 5 Cb 0.00 -3.23 -0.02 0.00 0.00 0.00 0.00 34.95 31.69 2ntl s ARG 5 CO 0.00 -0.15 -0.16 0.42 0.00 0.00 0.00 175.30 175.41 2ntl s ILE 6 N 0.06 1.28 -0.01 1.52 1.01 -0.50 -1.59 121.20 122.96 2ntl s ILE 6 Ca 0.54 -1.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.03 2ntl s ILE 6 Cb -0.34 -1.15 0.00 0.00 0.01 0.00 0.00 42.46 40.99 2ntl s ILE 6 CO 0.37 0.03 0.12 -1.48 0.00 0.00 0.00 174.94 173.98 2ntl s LEU 7 N -1.25 1.60 0.09 2.97 0.05 -0.58 -0.55 118.68 121.01 2ntl s LEU 7 Ca 0.03 -0.13 0.03 0.00 0.05 0.00 0.00 54.13 54.12 2ntl s LEU 7 Cb -0.08 0.58 -0.04 0.00 -2.05 0.00 0.00 46.19 44.60 2ntl s LEU 7 CO 0.02 -0.29 -0.09 0.00 -0.55 0.00 0.00 176.35 175.43 2ntl s ALA 8 N -1.07 1.04 -0.01 1.48 0.00 -0.38 -0.81 121.76 122.01 2ntl s ALA 8 Ca -0.12 -1.18 -0.24 0.00 0.00 0.00 0.00 51.96 50.42 2ntl s ALA 8 Cb -0.06 0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.16 2ntl s ALA 8 CO 0.01 -0.07 0.53 0.54 0.00 0.00 0.00 175.76 176.77 2ntl s VAL 9 N -2.58 0.02 -5.00 0.00 0.11 -0.19 -0.56 120.40 112.20 2ntl s VAL 9 Ca 0.05 -0.21 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 2ntl s VAL 9 Cb -0.02 -0.88 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 2ntl s VAL 9 CO -0.01 -0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.26 2ntl n GLY 10 N 0.89 -0.04 3.13 6.54 0.00 -0.83 -1.48 105.19 113.40 2ntl n GLY 10 Ca -0.20 -1.51 -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 0.70 0.24 1.61 0.52 -1.26 -1.11 118.95 117.65 2ntl s ARG 11 Ca 0.00 -0.90 0.05 0.00 -0.52 0.00 0.00 55.73 54.36 2ntl s ARG 11 Cb 0.00 -0.57 -0.02 0.00 0.52 0.00 0.00 34.95 34.89 2ntl s ARG 11 CO 0.00 0.12 0.17 0.27 0.02 0.00 0.00 175.30 175.87 2ntl n ASN 12 N 1.27 -0.03 0.19 0.23 0.23 -0.29 -4.36 115.26 112.50 2ntl n ASN 12 Ca -0.21 -2.48 0.18 0.00 -0.53 0.00 0.00 54.58 51.53 2ntl n ASN 12 Cb 0.55 1.01 0.82 0.00 -2.08 0.00 0.00 39.78 40.08 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 1.31 0.00 0.67 0.53 4.64 -1.94 -2.47 113.55 116.28 2ntl h SER 13 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 2ntl h SER 13 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2ntl h SER 13 CO 0.26 0.00 -1.15 0.59 -0.87 0.00 0.00 176.83 175.66 2ntl n ASN 14 N -3.75 0.63 0.00 4.97 3.02 -1.26 -5.08 115.26 113.79 2ntl n ASN 14 Ca 0.02 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 2ntl n ASN 14 Cb 0.38 0.78 0.00 0.00 -0.61 0.00 0.00 39.78 40.32 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 -0.51 3.90 7.41 0.00 -0.93 -4.43 105.19 111.89 2ntl n GLY 15 Ca 0.00 -1.34 -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 6.01 0.09 1.61 0.01 -0.44 -1.13 113.70 115.84 2ntl s SER 16 Ca 0.00 -0.03 -0.27 0.00 1.31 0.00 0.00 55.95 56.96 2ntl s SER 16 Cb 0.00 -1.69 0.08 0.00 0.21 0.00 0.00 66.02 64.62 2ntl s SER 16 CO 0.00 -0.02 1.03 0.72 0.41 0.00 0.00 173.24 175.38 2ntl s PHE 17 N -1.96 -0.14 -0.04 2.43 -0.12 -0.26 -0.99 117.98 116.90 2ntl s PHE 17 Ca 0.33 -0.10 -0.03 0.00 -0.05 0.00 0.00 56.93 57.08 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 -0.65 0.11 0.14 -0.05 0.00 0.00 175.22 175.04 2ntl s VAL 18 N -3.05 -0.01 0.08 -2.49 -7.23 -0.86 -1.96 120.40 104.88 2ntl s VAL 18 Ca 0.12 0.04 0.05 0.00 -1.81 0.00 0.00 61.98 60.38 2ntl s VAL 18 Cb 0.00 -0.17 -0.03 0.00 0.56 0.00 0.00 36.38 36.74 2ntl s VAL 18 CO -0.01 0.02 -0.14 0.00 -0.31 0.00 0.00 175.10 174.66 2ntl s ALA 19 N 0.28 1.23 -0.03 1.32 0.00 0.28 -1.34 121.76 123.49 2ntl s ALA 19 Ca -0.02 -1.07 -0.04 0.00 0.00 0.00 0.00 51.96 50.83 2ntl s ALA 19 Cb -0.03 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.01 2ntl s ALA 19 CO -0.01 0.14 0.11 -0.47 0.00 0.00 0.00 175.76 175.53 2ntl s TYR 20 N -1.52 -0.07 -0.02 0.00 5.04 0.24 -1.25 117.35 119.77 2ntl s TYR 20 Ca 0.01 0.18 -0.01 0.00 -2.44 0.00 0.00 57.07 54.80 2ntl s TYR 20 Cb -0.09 0.01 0.02 0.00 0.35 0.00 0.00 41.96 42.26 2ntl s TYR 20 CO 0.02 -0.11 0.05 0.50 -1.34 0.00 0.00 175.55 174.67 2ntl s ARG 21 N -0.29 0.01 -0.21 4.97 3.52 0.28 -0.57 118.95 126.66 2ntl s ARG 21 Ca -0.04 0.17 -0.17 0.00 -0.13 0.00 0.00 55.73 55.57 2ntl s ARG 21 Cb -0.03 -0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.18 2ntl s ARG 21 CO 0.00 -0.11 0.43 0.08 -0.81 0.00 0.00 175.30 174.89 2ntl s VAL 22 N 0.74 5.17 -0.08 7.11 1.01 0.85 -1.41 120.40 133.79 2ntl s VAL 22 Ca -0.06 0.77 0.05 0.00 0.00 0.00 0.00 61.98 62.73 2ntl s VAL 22 Cb -0.09 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 2ntl s VAL 22 CO -0.02 0.22 -0.22 -0.44 0.00 0.00 0.00 175.10 174.63 2ntl s SER 23 N 1.13 2.86 0.07 3.32 0.01 -1.23 -1.46 113.70 118.40 2ntl s SER 23 Ca 0.20 -0.50 -0.18 0.00 1.31 0.00 0.00 55.95 56.78 2ntl s SER 23 Cb -0.15 -1.09 0.04 0.00 0.21 0.00 0.00 66.02 65.02 2ntl s SER 23 CO 0.09 0.17 0.42 -0.55 0.41 0.00 0.00 173.24 173.78 2ntl s SER 24 N 0.18 -0.28 -0.01 2.44 0.15 -0.91 -4.02 113.70 111.25 2ntl s SER 24 Ca -0.12 -0.08 -0.03 0.00 0.70 0.00 0.00 55.95 56.42 2ntl s SER 24 Cb -0.16 0.44 -0.02 0.00 -1.71 0.00 0.00 66.02 64.58 2ntl s SER 24 CO 0.06 -0.72 -0.06 0.54 1.20 0.00 0.00 173.24 174.25 2ntl n ARG 25 N 0.28 0.10 0.20 5.44 1.74 -1.26 -4.67 116.66 118.50 2ntl n ARG 25 Ca -0.18 0.04 0.08 0.00 -0.77 0.00 0.00 57.85 57.02 2ntl n ARG 25 Cb 0.61 -0.68 0.33 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 -0.18 0.00 -2.42 0.55 4.64 -2.02 -3.38 113.55 110.74 2ntl h SER 26 Ca -0.07 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.66 2ntl h SER 26 Cb 0.71 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.41 2ntl h SER 26 CO -0.04 0.29 -0.92 0.49 -0.87 0.00 0.00 176.83 175.78 2ntl n PHE 27 N -3.35 -0.04 1.24 4.77 3.01 -1.26 -4.92 117.46 116.90 2ntl n PHE 27 Ca 0.01 -3.53 0.13 0.00 1.01 0.00 0.00 57.45 55.07 2ntl n PHE 27 Cb 0.52 0.01 0.33 0.00 -0.01 0.00 0.00 39.48 40.33 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 2.43 1.05 -1.56 -1.08 -0.04 -1.26 -4.53 135.00 130.01 2ntl n PRO 28 Ca 0.27 -0.67 -0.33 0.00 -0.04 0.00 0.00 63.50 62.73 2ntl n PRO 28 Cb 0.46 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.39 7.57 -4.15 3.54 5.03 -1.26 -4.89 115.26 120.72 2ntl n ASN 29 Ca 0.13 -2.89 -0.10 0.00 0.87 0.00 0.00 54.58 52.59 2ntl n ASN 29 Cb 0.37 -1.40 -0.10 0.00 -1.02 0.00 0.00 39.78 37.63 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 0.02 0.85 0.30 3.52 0.52 -1.26 -1.70 118.95 121.19 2ntl s ARG 30 Ca 0.61 -1.38 -0.07 0.00 -0.52 0.00 0.00 55.73 54.38 2ntl s ARG 30 Cb 0.24 0.09 -0.00 0.00 0.52 0.00 0.00 34.95 35.80 2ntl s ARG 30 CO -0.09 -0.16 0.46 -0.08 0.02 0.00 0.00 175.30 175.44 2ntl s THR 31 N -3.89 0.00 0.03 0.02 -1.32 0.16 -4.71 115.64 105.92 2ntl s THR 31 Ca 0.17 -1.54 0.01 0.00 -1.21 0.00 0.00 61.69 59.13 2ntl s THR 31 Cb 0.07 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.54 2ntl s THR 31 CO -0.02 0.00 0.06 0.42 -2.21 0.00 0.00 174.62 172.86 2ntl s THR 32 N -3.48 4.49 -0.03 5.08 -4.23 -1.26 -0.97 115.64 115.24 2ntl s THR 32 Ca 0.28 -0.59 0.03 0.00 -1.18 0.00 0.00 61.69 60.22 2ntl s THR 32 Cb -0.00 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.77 2ntl s THR 32 CO 0.15 0.28 -0.10 -0.55 -0.54 0.00 0.00 174.62 173.86 2ntl s SER 33 N -1.91 1.39 -0.19 3.99 0.15 0.66 -4.95 113.70 112.84 2ntl s SER 33 Ca 0.24 -0.22 -0.11 0.00 0.70 0.00 0.00 55.95 56.56 2ntl s SER 33 Cb -0.12 -0.42 -0.05 0.00 -1.71 0.00 0.00 66.02 63.72 2ntl s SER 33 CO 0.16 0.07 0.18 -0.63 1.20 0.00 0.00 173.24 174.21 2ntl s ILE 34 N 0.25 5.38 0.30 6.45 1.01 -1.26 -0.23 121.20 133.10 2ntl s ILE 34 Ca -0.05 0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.93 2ntl s ILE 34 Cb -0.10 -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 3.61 0.57 -1.47 2.79 1.13 -0.37 -5.00 117.38 118.64 2ntl n GLN 35 Ca -0.15 -2.65 -0.47 0.00 -1.94 0.00 0.00 57.00 51.79 2ntl n GLN 35 Cb 0.52 1.62 -0.08 0.00 0.11 0.00 0.00 30.24 32.42 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 -0.66 0.88 -2.73 -1.09 2.13 -1.26 -2.24 120.64 115.67 2ntl n GLU 36 Ca -0.02 0.19 -0.18 0.00 0.66 0.00 0.00 57.16 57.81 2ntl n GLU 36 Cb 0.47 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.72 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 8.38 -2.85 -3.47 5.31 1.02 -1.26 -4.95 120.64 122.82 2ntl n GLU 37 Ca 0.45 0.70 -0.13 0.00 -0.02 0.00 0.00 57.16 58.16 2ntl n GLU 37 Cb 0.25 -5.38 -0.03 0.00 -0.02 0.00 0.00 31.44 26.26 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 -5.36 1.10 -0.12 3.49 1.70 -0.95 -1.08 118.95 117.72 2ntl s ARG 38 Ca 0.14 -0.22 0.02 0.00 -0.47 0.00 0.00 55.73 55.20 2ntl s ARG 38 Cb -0.07 0.51 0.01 0.00 -0.57 0.00 0.00 34.95 34.83 2ntl s ARG 38 CO 0.17 -0.44 -0.18 0.08 -1.08 0.00 0.00 175.30 173.84 2ntl s VAL 39 N -2.83 1.76 -0.06 4.99 1.01 -0.14 -1.24 120.40 123.90 2ntl s VAL 39 Ca -0.01 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.17 2ntl s VAL 39 Cb -0.01 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 2ntl s VAL 39 CO -0.06 0.49 -0.00 0.00 0.00 0.00 0.00 175.10 175.53 2ntl s ALA 40 N 0.92 3.26 -0.30 5.51 0.00 0.68 -0.45 121.76 131.38 2ntl s ALA 40 Ca -0.06 -0.86 -0.17 0.00 0.00 0.00 0.00 51.96 50.87 2ntl s ALA 40 Cb -0.15 -1.41 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 2ntl s ALA 40 CO -0.02 0.61 0.45 0.08 0.00 0.00 0.00 175.76 176.88 2ntl s VAL 41 N -0.95 5.09 0.20 0.00 1.01 0.48 -0.25 120.40 125.99 2ntl s VAL 41 Ca 0.15 0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.65 2ntl s VAL 41 Cb -0.11 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 2ntl s VAL 41 CO 0.05 -0.02 0.04 0.68 0.00 0.00 0.00 175.10 175.84 2ntl s VAL 42 N 2.24 0.63 0.40 2.92 -7.23 -0.14 -2.26 120.40 116.95 2ntl s VAL 42 Ca 0.17 -1.99 -0.24 0.00 -1.81 0.00 0.00 61.98 58.11 2ntl s VAL 42 Cb -0.16 -2.31 -0.09 0.00 0.56 0.00 0.00 36.38 34.39 2ntl s VAL 42 CO 0.11 -0.30 1.08 -2.84 -0.31 0.00 0.00 175.10 172.84 2ntl s PRO 43 N -3.96 4.12 0.77 4.82 0.02 -1.26 -0.67 135.00 138.84 2ntl s PRO 43 Ca 0.29 1.60 -0.11 0.00 0.02 0.00 0.00 61.00 62.80 2ntl s PRO 43 Cb 0.07 -2.57 0.05 0.00 0.02 0.00 0.00 34.50 32.07 2ntl s PRO 43 CO 0.07 -0.20 1.08 0.14 -0.33 0.00 0.00 177.00 177.76 2ntl s VAL 44 N -1.59 3.39 0.33 3.83 -7.23 -0.69 -4.76 120.40 113.67 2ntl s VAL 44 Ca 0.58 0.45 -0.27 0.00 -1.81 0.00 0.00 61.98 60.93 2ntl s VAL 44 Cb -0.24 -3.10 -0.13 0.00 0.56 0.00 0.00 36.38 33.46 2ntl s VAL 44 CO 0.30 -0.59 1.01 1.21 -0.31 0.00 0.00 175.10 176.72 2ntl n GLU 45 N -3.41 1.38 0.00 4.82 2.13 -1.26 -2.23 120.64 122.06 2ntl n GLU 45 Ca 0.08 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.38 2ntl n GLU 45 Cb 0.54 -1.91 0.00 0.00 0.27 0.00 0.00 31.44 30.35 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 1.20 3.22 0.81 8.31 0.00 -1.26 -4.87 105.19 112.61 2ntl n GLY 46 Ca 0.09 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.05 0.85 -0.32 1.61 8.25 -0.95 -4.69 115.22 118.93 2ntl n HIS 47 Ca 0.00 -0.89 0.21 0.00 -0.26 0.00 0.00 57.72 56.78 2ntl n HIS 47 Cb 0.00 -0.30 0.43 0.00 1.12 0.00 0.00 29.99 31.24 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 1.63 0.23 -1.04 -0.41 3.07 -1.88 0.15 114.58 116.34 2ntl h GLU 48 Ca 0.00 -0.01 0.26 0.00 -0.50 0.00 0.00 59.36 59.11 2ntl h GLU 48 Cb 1.40 -0.05 -0.10 0.00 -0.84 0.00 0.00 28.75 29.16 2ntl h GLU 48 CO 0.20 0.15 0.65 0.00 -1.40 0.00 0.00 179.01 178.62 2ntl h ARG 49 N 0.24 0.43 -0.94 2.33 2.47 -1.96 -2.92 114.38 114.02 2ntl h ARG 49 Ca 0.69 -0.03 0.28 0.00 -1.26 0.00 0.00 59.98 59.66 2ntl h ARG 49 Cb 1.56 -0.10 -0.15 0.00 -1.65 0.00 0.00 29.97 29.63 2ntl h ARG 49 CO -0.66 0.28 0.40 -0.44 0.56 0.00 0.00 179.97 180.11 2ntl h ASP 50 N 0.44 0.24 -0.06 7.04 3.32 -1.06 0.24 116.42 126.58 2ntl h ASP 50 Ca 0.61 0.20 0.02 0.00 0.02 0.00 0.00 57.03 57.88 2ntl h ASP 50 Cb 1.45 0.21 -0.00 0.00 0.22 0.00 0.00 39.33 41.20 2ntl h ASP 50 CO -0.35 -0.15 0.24 -0.37 -1.72 0.00 0.00 179.24 176.89 2ntl h VAL 51 N 0.26 0.11 0.00 -1.35 -1.51 -1.72 0.34 116.25 112.39 2ntl h VAL 51 Ca 0.64 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.11 2ntl h VAL 51 Cb 1.39 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 2ntl h VAL 51 CO -0.64 0.00 -0.67 0.49 -1.23 0.00 0.00 177.57 175.52 2ntl n PHE 52 N -3.16 0.50 0.02 5.19 3.01 0.86 -3.89 117.46 120.00 2ntl n PHE 52 Ca -0.01 0.15 -0.20 0.00 1.01 0.00 0.00 57.45 58.40 2ntl n PHE 52 Cb 0.32 -0.62 -0.14 0.00 -0.01 0.00 0.00 39.48 39.02 2ntl n PHE 52 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2ntl h ARG 53 N 0.00 0.27 -3.64 -1.08 3.08 -0.38 -3.46 114.38 109.17 2ntl h ARG 53 Ca 0.00 -0.45 -0.39 0.00 0.07 0.00 0.00 59.98 59.21 2ntl h ARG 53 Cb 0.74 0.17 -0.37 0.00 0.08 0.00 0.00 29.97 30.59 2ntl h ARG 53 CO 0.00 1.15 -0.75 1.21 -1.07 0.00 0.00 179.97 180.51 2ntl s ASN 54 N -6.99 1.08 0.00 7.04 3.84 -0.63 -5.03 114.94 114.25 2ntl s ASN 54 Ca -0.18 -0.03 0.17 0.00 0.21 0.00 0.00 52.86 53.03 2ntl s ASN 54 Cb 0.06 -0.30 0.91 0.00 -0.55 0.00 0.00 41.25 41.37 2ntl s ASN 54 CO 0.80 -0.17 1.60 -0.81 -2.79 0.00 0.00 177.10 175.73 2ntl n PRO 55 N 4.79 1.13 -0.11 0.43 -0.04 -1.26 -3.69 135.00 136.27 2ntl n PRO 55 Ca -0.13 -0.20 0.03 0.00 -0.04 0.00 0.00 63.50 63.16 2ntl n PRO 55 Cb 0.50 -1.27 0.09 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.55 0.28 0.83 0.54 4.02 -1.26 -4.65 117.16 116.36 2ntl n TYR 56 Ca 0.13 -0.48 0.11 0.00 -0.01 0.00 0.00 57.90 57.64 2ntl n TYR 56 Cb 0.10 -0.03 -0.04 0.00 -0.02 0.00 0.00 39.34 39.35 2ntl n TYR 56 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 2ntl n ILE 57 N 0.15 0.03 -4.88 -0.72 -5.35 -1.24 -4.87 119.36 102.47 2ntl n ILE 57 Ca 0.07 -0.09 -0.28 0.00 -0.27 0.00 0.00 62.75 62.18 2ntl n ILE 57 Cb 0.35 0.65 -0.17 0.00 -1.74 0.00 0.00 39.64 38.73 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 -3.08 1.72 -0.21 -1.28 0.00 -1.26 -4.66 121.76 112.99 2ntl s ALA 58 Ca 0.06 -0.70 -0.36 0.00 0.00 0.00 0.00 51.96 50.96 2ntl s ALA 58 Cb 0.16 -0.70 0.15 0.00 0.00 0.00 0.00 23.12 22.73 2ntl s ALA 58 CO 0.83 0.19 1.34 1.52 0.00 0.00 0.00 175.76 179.64 2ntl s TYR 59 N 0.53 -0.04 -0.09 0.00 -0.85 -0.96 -4.79 117.35 111.15 2ntl s TYR 59 Ca -0.16 0.02 -0.30 0.00 -0.52 0.00 0.00 57.07 56.11 2ntl s TYR 59 Cb -0.17 0.51 -0.02 0.00 0.38 0.00 0.00 41.96 42.66 2ntl s TYR 59 CO 0.06 -0.08 1.05 -0.80 -1.52 0.00 0.00 175.55 174.26 2ntl s ASN 60 N -2.29 7.21 0.05 -0.18 0.01 -1.26 -0.39 114.94 118.09 2ntl s ASN 60 Ca 0.12 1.60 0.22 0.00 -0.71 0.00 0.00 52.86 54.10 2ntl s ASN 60 Cb 0.01 -2.56 -0.07 0.00 0.41 0.00 0.00 41.25 39.04 2ntl s ASN 60 CO -0.04 -0.47 0.89 0.00 -1.51 0.00 0.00 177.10 175.98 2ntl s ILE 62 N -3.29 -0.04 -0.04 0.00 1.01 -1.09 -1.33 121.20 116.41 2ntl s ILE 62 Ca 0.00 0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.83 2ntl s ILE 62 Cb 0.14 -0.18 0.01 0.00 0.01 0.00 0.00 42.46 42.44 2ntl s ILE 62 CO 0.83 0.06 -0.08 -0.13 0.00 0.00 0.00 174.94 175.62 2ntl s ARG 63 N 0.93 1.04 -0.21 2.79 1.81 -0.31 -0.96 118.95 124.04 2ntl s ARG 63 Ca -0.07 -0.26 -0.05 0.00 -1.72 0.00 0.00 55.73 53.63 2ntl s ARG 63 Cb -0.10 -0.96 -0.02 0.00 -0.45 0.00 0.00 34.95 33.42 2ntl s ARG 63 CO -0.04 0.04 -0.01 0.42 -0.68 0.00 0.00 175.30 175.03 2ntl s ILE 64 N 0.49 3.73 -0.26 1.52 -1.09 -0.24 -0.61 121.20 124.74 2ntl s ILE 64 Ca -0.08 -0.38 0.01 0.00 -2.23 0.00 0.00 60.65 57.97 2ntl s ILE 64 Cb -0.12 -2.70 0.07 0.00 -1.58 0.00 0.00 42.46 38.14 2ntl s ILE 64 CO 0.01 0.41 -0.00 0.68 -1.23 0.00 0.00 174.94 174.81 2ntl s VAL 65 N 1.28 1.42 0.00 2.92 -7.23 0.25 -4.91 120.40 114.13 2ntl s VAL 65 Ca 0.04 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 2ntl s VAL 65 Cb -0.15 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 34.98 2ntl s VAL 65 CO 0.00 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.12 2ntl n GLY 66 N 4.68 3.99 0.41 2.32 0.00 -1.26 -0.41 105.19 114.92 2ntl n GLY 66 Ca -0.08 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 6.94 1.24 -4.64 1.61 5.75 -1.26 -4.88 116.55 121.30 2ntl n ASP 67 Ca 0.00 -1.56 -0.35 0.00 -0.01 0.00 0.00 54.79 52.88 2ntl n ASP 67 Cb 0.00 -0.05 -0.10 0.00 -1.03 0.00 0.00 41.12 39.94 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 -1.89 4.47 -0.15 2.12 2.01 0.45 -4.13 115.64 118.53 2ntl s THR 68 Ca 0.34 -0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.13 2ntl s THR 68 Cb 0.18 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.71 2ntl s THR 68 CO 0.28 0.54 0.00 0.00 -0.69 0.00 0.00 174.62 174.75 2ntl s ALA 69 N -0.24 3.20 -0.04 7.40 0.00 0.78 -0.58 121.76 132.27 2ntl s ALA 69 Ca 0.06 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.30 2ntl s ALA 69 Cb -0.12 -1.65 -0.01 0.00 0.00 0.00 0.00 23.12 21.33 2ntl s ALA 69 CO 0.02 0.29 -0.23 0.08 0.00 0.00 0.00 175.76 175.92 2ntl s VAL 70 N 0.08 1.87 -0.00 0.00 1.01 0.22 -0.67 120.40 122.91 2ntl s VAL 70 Ca 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2ntl s VAL 70 Cb -0.13 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.68 2ntl s VAL 70 CO 0.02 0.52 -0.01 0.54 0.00 0.00 0.00 175.10 176.17 2ntl s VAL 71 N -0.26 0.09 0.19 2.92 0.11 -0.13 -1.16 120.40 122.15 2ntl s VAL 71 Ca 0.01 -0.03 -0.23 0.00 -2.93 0.00 0.00 61.98 58.79 2ntl s VAL 71 Cb -0.12 -0.09 0.05 0.00 -1.53 0.00 0.00 36.38 34.70 2ntl s VAL 71 CO 0.02 0.03 0.78 -0.94 -3.33 0.00 0.00 175.10 171.66 2ntl s SER 72 N 0.05 -0.31 -0.11 3.54 1.04 -0.44 -0.89 113.70 116.57 2ntl s SER 72 Ca -0.00 -0.35 0.10 0.00 0.48 0.00 0.00 55.95 56.18 2ntl s SER 72 Cb -0.01 0.60 0.50 0.00 0.10 0.00 0.00 66.02 67.21 2ntl s SER 72 CO -0.00 -1.06 1.32 -0.46 0.98 0.00 0.00 173.24 174.01 2ntl n ASN 73 N -0.42 3.68 -1.91 7.02 6.94 -1.16 -4.39 115.26 125.02 2ntl n ASN 73 Ca -0.08 -2.45 -0.01 0.00 -0.02 0.00 0.00 54.58 52.02 2ntl n ASN 73 Cb 0.61 -0.55 0.01 0.00 -2.36 0.00 0.00 39.78 37.49 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 0.62 1.05 0.17 4.83 0.00 -1.26 -4.98 105.19 105.61 2ntl n GLY 74 Ca 0.17 -1.02 0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.88 0.44 0.00 1.61 3.41 -1.26 -1.21 113.62 115.73 2ntl n SER 75 Ca -0.01 0.64 0.07 0.00 -0.26 0.00 0.00 58.87 59.31 2ntl n SER 75 Cb 0.23 -0.64 0.32 0.00 -0.26 0.00 0.00 64.21 63.86 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 -2.15 0.00 -0.22 7.33 1.44 -1.26 -2.04 115.22 118.32 2ntl n HIS 76 Ca -0.01 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.64 2ntl n HIS 76 Cb 0.21 -0.44 0.04 0.00 0.12 0.00 0.00 29.99 29.93 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 1.15 -0.27 0.61 2.02 -1.39 0.74 112.91 115.77 2ntl h THR 77 Ca 0.00 -0.28 -0.17 0.00 0.77 0.00 0.00 66.41 66.73 2ntl h THR 77 Cb 0.21 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2ntl h THR 77 CO 0.00 0.15 -0.50 0.44 0.37 0.00 0.00 175.52 175.98 2ntl h ASP 78 N 0.83 0.81 -0.62 4.18 3.32 -1.65 -1.19 116.42 122.11 2ntl h ASP 78 Ca 0.23 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.87 2ntl h ASP 78 Cb -0.08 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 2ntl h ASP 78 CO -0.06 1.17 0.40 0.74 -1.72 0.00 0.00 179.24 179.77 2ntl h THR 79 N 0.58 1.16 0.03 0.35 2.02 -1.38 -0.80 112.91 114.87 2ntl h THR 79 Ca 0.02 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 2ntl h THR 79 Cb 1.07 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2ntl h THR 79 CO 0.11 0.16 -0.01 0.40 0.37 0.00 0.00 175.52 176.54 2ntl h ILE 80 N 0.83 1.32 -0.81 3.11 2.04 -0.82 -3.00 117.51 120.18 2ntl h ILE 80 Ca 0.22 -1.14 0.06 0.00 1.00 0.00 0.00 64.86 65.00 2ntl h ILE 80 Cb -0.08 2.08 -0.06 0.00 -0.74 0.00 0.00 36.82 38.02 2ntl h ILE 80 CO -0.05 0.29 0.49 0.00 0.00 0.00 0.00 178.15 178.88 2ntl h ALA 81 N 0.40 1.11 -0.82 1.87 0.00 -1.16 -1.47 119.26 119.20 2ntl h ALA 81 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2ntl h ALA 81 Cb 0.50 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2ntl h ALA 81 CO 0.01 0.21 0.54 -0.44 0.00 0.00 0.00 179.25 179.57 2ntl h ASP 82 N 0.89 0.94 -0.32 0.00 3.32 -1.19 0.11 116.42 120.17 2ntl h ASP 82 Ca 0.36 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.29 2ntl h ASP 82 Cb 0.19 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2ntl h ASP 82 CO -0.18 0.67 -0.14 0.11 -1.72 0.00 0.00 179.24 177.99 2ntl h LYS 83 N 1.10 0.76 -0.32 3.56 1.79 -1.20 -0.43 116.57 121.84 2ntl h LYS 83 Ca 0.30 -0.26 -0.06 0.00 -2.18 0.00 0.00 60.65 58.45 2ntl h LYS 83 Cb -0.12 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.46 2ntl h LYS 83 CO -0.07 0.86 -0.02 0.28 -1.08 0.00 0.00 179.45 179.42 2ntl h VAL 84 N 0.69 1.27 -1.00 0.50 2.07 -0.79 -1.02 116.25 117.96 2ntl h VAL 84 Ca 0.11 -1.00 0.06 0.00 0.82 0.00 0.00 66.70 66.68 2ntl h VAL 84 Cb 0.62 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 2ntl h VAL 84 CO 0.04 0.33 0.65 0.00 0.02 0.00 0.00 177.57 178.60 2ntl h ALA 85 N 0.83 1.39 -0.07 1.67 0.00 -0.46 -0.51 119.26 122.11 2ntl h ALA 85 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ntl h ALA 85 Cb 0.48 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2ntl h ALA 85 CO 0.02 0.47 0.00 1.28 0.00 0.00 0.00 179.25 181.02 2ntl n LEU 86 N -4.48 0.97 -0.61 0.00 4.77 -0.20 -4.96 117.00 112.49 2ntl n LEU 86 Ca 0.15 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2ntl n LEU 86 Cb 0.16 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2ntl n LEU 86 CO 0.33 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2ntl n GLY 87 N 1.03 -1.19 3.64 -0.72 0.00 -0.20 -5.05 105.19 102.70 2ntl n GLY 87 Ca 0.17 -0.59 -0.04 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.18 0.46 0.74 1.61 0.00 -1.09 -4.89 119.30 115.94 2ntl s MET 88 Ca 0.00 0.79 -0.15 0.00 0.00 0.00 0.00 55.69 56.33 2ntl s MET 88 Cb 0.00 0.10 0.04 0.00 0.00 0.00 0.00 34.83 34.97 2ntl s MET 88 CO 0.00 -0.10 1.24 0.27 0.00 0.00 0.00 175.02 176.44 2ntl n ASN 89 N 3.80 1.51 -0.09 1.11 0.23 -1.26 -4.43 115.26 116.13 2ntl n ASN 89 Ca -0.19 0.70 -0.06 0.00 -0.53 0.00 0.00 54.58 54.50 2ntl n ASN 89 Cb 0.58 -1.53 0.00 0.00 -2.08 0.00 0.00 39.78 36.75 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 -0.26 -0.49 -0.21 -4.53 3.38 -1.98 -1.63 115.31 109.59 2ntl h LEU 90 Ca -0.48 0.12 0.06 0.00 0.09 0.00 0.00 57.88 57.66 2ntl h LEU 90 Cb 1.32 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 42.28 2ntl h LEU 90 CO 0.49 -0.18 -0.20 -0.09 0.09 0.00 0.00 178.44 178.55 2ntl h ARG 91 N -0.09 -0.20 -0.63 1.13 2.43 -1.97 -1.08 114.38 113.97 2ntl h ARG 91 Ca 0.17 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 2ntl h ARG 91 Cb 0.34 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 2ntl h ARG 91 CO -0.39 -0.14 0.17 -0.44 -1.51 0.00 0.00 179.97 177.67 2ntl h ASP 92 N -0.21 0.94 -0.91 -3.80 3.32 -1.89 0.23 116.42 114.10 2ntl h ASP 92 Ca 0.13 -0.23 0.04 0.00 0.02 0.00 0.00 57.03 56.99 2ntl h ASP 92 Cb 0.41 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.65 2ntl h ASP 92 CO -0.34 0.92 0.59 0.00 -1.72 0.00 0.00 179.24 178.69 2ntl h ALA 93 N 1.06 1.21 -0.02 3.45 0.00 -0.87 0.73 119.26 124.82 2ntl h ALA 93 Ca 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2ntl h ALA 93 Cb 0.34 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2ntl h ALA 93 CO -0.00 0.44 -0.13 0.82 0.00 0.00 0.00 179.25 180.37 2ntl h ILE 94 N 1.13 1.52 -0.08 0.00 2.04 -1.00 -2.94 117.51 118.18 2ntl h ILE 94 Ca 0.37 -1.72 0.03 0.00 1.00 0.00 0.00 64.86 64.54 2ntl h ILE 94 Cb 0.03 2.60 -0.03 0.00 -0.74 0.00 0.00 36.82 38.68 2ntl h ILE 94 CO -0.13 0.46 -0.09 1.23 0.00 0.00 0.00 178.15 179.63 2ntl h GLY 95 N -0.52 -0.03 1.01 5.37 0.00 -0.10 -1.12 103.07 107.68 2ntl h GLY 95 Ca -0.01 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 2ntl h GLY 95 CO 0.03 -0.10 0.44 -2.00 0.00 0.00 0.00 176.54 174.91 2ntl h LEU 96 N -0.12 0.93 -0.20 3.11 5.85 0.35 -1.00 115.31 124.23 2ntl h LEU 96 Ca 0.06 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2ntl h LEU 96 Cb 0.21 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2ntl h LEU 96 CO -0.15 0.74 0.04 0.28 -0.34 0.00 0.00 178.44 179.00 2ntl h SER 97 N 1.04 0.31 -0.50 1.25 0.02 -1.31 -2.18 113.55 112.19 2ntl h SER 97 Ca 0.27 -0.25 -0.09 0.00 -0.84 0.00 0.00 61.79 60.87 2ntl h SER 97 Cb -0.01 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2ntl h SER 97 CO -0.05 0.48 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.01 2ntl h LEU 98 N 0.12 0.91 -0.68 5.07 3.38 -1.11 0.83 115.31 123.84 2ntl h LEU 98 Ca 0.06 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.74 2ntl h LEU 98 Cb 0.30 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2ntl h LEU 98 CO 0.00 1.02 0.41 0.25 0.09 0.00 0.00 178.44 180.21 2ntl h LEU 99 N 0.77 0.65 0.05 1.67 5.85 -1.14 0.21 115.31 123.37 2ntl h LEU 99 Ca 0.13 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 2ntl h LEU 99 Cb 0.59 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2ntl h LEU 99 CO 0.04 0.44 -0.02 0.00 -0.34 0.00 0.00 178.44 178.55 2ntl h ALA 100 N 1.31 -0.07 -0.19 1.25 0.00 -1.19 -3.35 119.26 117.03 2ntl h ALA 100 Ca 0.28 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ntl h ALA 100 Cb 0.08 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2ntl h ALA 100 CO -0.13 -0.15 0.11 0.52 0.00 0.00 0.00 179.25 179.61 2ntl h MET 101 N -0.85 0.27 -1.28 0.00 2.86 -0.82 -3.49 114.93 111.62 2ntl h MET 101 Ca -0.01 -0.03 0.16 0.00 -2.06 0.00 0.00 59.70 57.76 2ntl h MET 101 Cb 0.66 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.23 2ntl h MET 101 CO 0.01 0.23 -0.22 -3.47 1.06 0.00 0.00 176.91 174.52 2ntl n ASP 102 N -4.91 -3.40 -4.75 1.22 4.64 0.74 -4.85 116.55 105.24 2ntl n ASP 102 Ca -0.04 0.24 -0.33 0.00 -1.38 0.00 0.00 54.79 53.29 2ntl n ASP 102 Cb 0.06 -1.74 0.07 0.00 -1.04 0.00 0.00 41.12 38.47 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 -1.58 2.38 0.35 -0.67 -0.85 -1.26 -4.59 117.35 111.13 2ntl s TYR 103 Ca 0.00 1.58 -0.27 0.00 -0.52 0.00 0.00 57.07 57.86 2ntl s TYR 103 Cb 0.00 -3.26 -0.09 0.00 0.38 0.00 0.00 41.96 38.99 2ntl s TYR 103 CO 0.00 -2.05 1.16 -1.21 -1.52 0.00 0.00 175.55 171.93 2ntl s GLU 104 N -4.14 4.31 -1.32 -3.49 2.02 0.15 -4.94 118.70 111.29 2ntl s GLU 104 Ca 0.69 1.87 -0.06 0.00 0.02 0.00 0.00 54.97 57.49 2ntl s GLU 104 Cb -0.23 -2.91 0.09 0.00 0.10 0.00 0.00 34.13 31.18 2ntl s GLU 104 CO 0.45 -0.10 2.49 1.63 0.02 0.00 0.00 175.26 179.74 2ntl n LYS 105 N 0.57 4.39 -2.63 1.61 4.76 -1.26 -3.34 118.16 122.26 2ntl n LYS 105 Ca 0.02 -3.24 -0.13 0.00 -2.87 0.00 0.00 58.31 52.09 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 1.93 1.81 0.00 4.39 5.68 -1.26 -4.95 116.55 124.15 2ntl n ASP 106 Ca 0.64 -1.97 0.04 0.00 -0.50 0.00 0.00 54.79 53.01 2ntl n ASP 106 Cb 0.26 -0.05 0.22 0.00 -1.14 0.00 0.00 41.12 40.42 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 0.13 0.00 0.11 1.02 -1.26 -2.09 120.64 117.29 2ntl n GLU 107 Ca 0.00 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 2ntl n GLU 107 Cb 0.33 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 -1.29 1.01 -3.84 -4.62 4.77 -1.26 -4.98 117.00 106.79 2ntl n LEU 108 Ca 0.04 -0.99 -0.29 0.00 -0.03 0.00 0.00 56.01 54.75 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 0.00 177.39 177.11 2ntl n ASN 109 N -0.00 -5.22 -4.67 -1.43 3.02 -0.89 -4.79 115.26 101.28 2ntl n ASN 109 Ca 0.00 -0.72 -0.57 0.00 -0.03 0.00 0.00 54.58 53.26 2ntl n ASN 109 Cb 0.01 -4.16 -0.07 0.00 -0.61 0.00 0.00 39.78 34.95 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 -4.77 0.18 -1.16 3.41 -1.04 -1.21 -4.51 114.28 105.18 2ntl n THR 110 Ca 0.04 -0.03 -0.32 0.00 -2.04 0.00 0.00 64.05 61.70 2ntl n THR 110 Cb 0.53 -0.99 0.11 0.00 -1.82 0.00 0.00 70.33 68.16 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 2.44 1.90 -0.19 -2.82 0.02 -1.26 0.32 135.00 135.42 2ntl s PRO 111 Ca 0.94 1.40 -0.06 0.00 0.02 0.00 0.00 61.00 63.30 2ntl s PRO 111 Cb -1.08 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 31.57 2ntl s PRO 111 CO 0.61 -1.94 0.02 1.03 -0.33 0.00 0.00 177.00 176.39 2ntl s ARG 112 N -4.59 3.76 0.26 5.54 0.52 -0.90 -4.69 118.95 118.85 2ntl s ARG 112 Ca 0.65 -0.45 0.12 0.00 -0.52 0.00 0.00 55.73 55.53 2ntl s ARG 112 Cb -0.21 -3.12 -0.05 0.00 0.52 0.00 0.00 34.95 32.09 2ntl s ARG 112 CO 0.53 0.13 -0.21 0.96 0.02 0.00 0.00 175.30 176.74 2ntl s ILE 113 N 0.71 2.47 -0.00 1.52 -4.36 -1.26 -1.33 121.20 118.95 2ntl s ILE 113 Ca 0.01 -2.29 -0.29 0.00 -0.26 0.00 0.00 60.65 57.82 2ntl s ILE 113 Cb -0.14 -2.27 0.10 0.00 1.25 0.00 0.00 42.46 41.40 2ntl s ILE 113 CO 0.02 -0.32 0.98 0.00 0.24 0.00 0.00 174.94 175.86 2ntl s ALA 114 N -2.28 -1.86 0.06 2.27 0.00 -0.31 -2.99 121.76 116.66 2ntl s ALA 114 Ca 0.28 0.91 -0.22 0.00 0.00 0.00 0.00 51.96 52.92 2ntl s ALA 114 Cb -0.06 0.37 0.05 0.00 0.00 0.00 0.00 23.12 23.49 2ntl s ALA 114 CO 0.14 -0.77 0.52 0.00 0.00 0.00 0.00 175.76 175.64 2ntl s ALA 115 N -2.99 -1.31 -0.07 0.00 0.00 -0.07 0.27 121.76 117.59 2ntl s ALA 115 Ca 0.08 0.55 -0.09 0.00 0.00 0.00 0.00 51.96 52.50 2ntl s ALA 115 Cb -0.01 0.42 0.02 0.00 0.00 0.00 0.00 23.12 23.56 2ntl s ALA 115 CO -0.06 -0.52 0.23 0.00 0.00 0.00 0.00 175.76 175.41 2ntl s ALA 116 N -2.58 -0.57 -0.04 0.00 0.00 -0.14 -0.96 121.76 117.47 2ntl s ALA 116 Ca -0.05 0.53 -0.05 0.00 0.00 0.00 0.00 51.96 52.40 2ntl s ALA 116 Cb -0.01 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.84 2ntl s ALA 116 CO -0.03 -0.14 0.13 -1.50 0.00 0.00 0.00 175.76 174.22 2ntl s ILE 117 N -0.20 0.01 0.00 0.00 2.07 0.16 -1.01 121.20 122.23 2ntl s ILE 117 Ca -0.03 -0.11 0.00 0.00 -1.41 0.00 0.00 60.65 59.10 2ntl s ILE 117 Cb -0.03 -0.22 0.00 0.00 0.13 0.00 0.00 42.46 42.34 2ntl s ILE 117 CO 0.01 -0.06 0.00 -0.46 -1.91 0.00 0.00 174.94 172.52 2ntl n ASN 118 N 2.77 0.47 -0.21 4.50 0.23 -0.60 -0.16 115.26 122.26 2ntl n ASN 118 Ca -0.14 -0.54 0.06 0.00 -0.53 0.00 0.00 54.58 53.44 2ntl n ASN 118 Cb 0.59 0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.62 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 1.04 0.00 4.83 0.00 -2.02 -3.34 103.07 103.58 2ntl h GLY 119 Ca 0.00 -0.33 -0.14 0.00 0.00 0.00 0.00 47.33 46.87 2ntl h GLY 119 CO 0.00 0.23 -1.68 -1.14 0.00 0.00 0.00 176.54 173.95 2ntl n SER 120 N -4.49 2.33 -4.10 0.19 3.41 -1.26 -5.08 113.62 104.63 2ntl n SER 120 Ca 0.12 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.62 2ntl n SER 120 Cb 0.24 1.00 -0.08 0.00 -0.26 0.00 0.00 64.21 65.10 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 1.26 -0.10 4.33 -1.05 -1.25 -5.10 118.70 114.36 2ntl s GLU 121 Ca -0.05 -1.43 -0.13 0.00 -0.15 0.00 0.00 54.97 53.21 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 0.46 -0.45 0.33 0.00 0.95 0.00 0.00 175.26 176.54 2ntl s ALA 122 N -4.08 -0.82 0.09 -0.84 0.00 -1.26 -1.56 121.76 113.28 2ntl s ALA 122 Ca 0.29 0.79 0.04 0.00 0.00 0.00 0.00 51.96 53.08 2ntl s ALA 122 Cb 0.04 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2ntl s ALA 122 CO 0.08 -0.19 -0.12 -0.06 0.00 0.00 0.00 175.76 175.48 2ntl s PHE 123 N -0.23 1.11 0.03 0.00 0.40 -0.18 -0.61 117.98 118.49 2ntl s PHE 123 Ca -0.04 -0.56 0.03 0.00 -0.60 0.00 0.00 56.93 55.77 2ntl s PHE 123 Cb -0.03 -0.61 -0.02 0.00 0.51 0.00 0.00 43.02 42.87 2ntl s PHE 123 CO 0.01 0.03 -0.09 -1.50 0.70 0.00 0.00 175.22 174.37 2ntl s ILE 124 N -1.88 0.71 0.21 0.64 2.07 -0.44 -0.97 121.20 121.54 2ntl s ILE 124 Ca 0.02 -0.80 -0.14 0.00 -1.41 0.00 0.00 60.65 58.32 2ntl s ILE 124 Cb -0.06 -0.68 0.01 0.00 0.13 0.00 0.00 42.46 41.85 2ntl s ILE 124 CO 0.01 -0.09 0.45 -0.83 -1.91 0.00 0.00 174.94 172.57 2ntl s GLY 125 N -0.98 0.29 -0.02 1.50 0.00 0.14 -0.40 107.32 107.85 2ntl s GLY 125 Ca -0.02 -0.65 -0.24 0.00 0.00 0.00 0.00 44.72 43.81 2ntl s GLY 125 CO 0.00 -0.54 0.53 -1.50 0.00 0.00 0.00 173.10 171.59 2ntl s ILE 126 N -3.95 0.02 -0.03 0.90 2.07 0.12 -1.16 121.20 119.17 2ntl s ILE 126 Ca 0.16 -0.20 0.01 0.00 -1.41 0.00 0.00 60.65 59.21 2ntl s ILE 126 Cb 0.00 -0.88 0.02 0.00 0.13 0.00 0.00 42.46 41.74 2ntl s ILE 126 CO 0.03 -0.11 -0.02 0.54 -1.91 0.00 0.00 174.94 173.46 2ntl s VAL 127 N -1.49 0.35 0.33 4.00 0.11 -0.44 -0.45 120.40 122.82 2ntl s VAL 127 Ca -0.11 -0.03 0.07 0.00 -2.93 0.00 0.00 61.98 58.98 2ntl s VAL 127 Cb -0.02 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.39 2ntl s VAL 127 CO 0.06 0.18 0.26 0.42 -3.33 0.00 0.00 175.10 172.68 2ntl s THR 128 N 0.90 0.06 0.39 5.04 -4.23 0.76 -2.11 115.64 116.45 2ntl s THR 128 Ca -0.10 -2.00 0.39 0.00 -1.18 0.00 0.00 61.69 58.79 2ntl s THR 128 Cb -0.14 -2.48 0.40 0.00 1.34 0.00 0.00 72.50 71.63 2ntl s THR 128 CO -0.01 0.00 2.18 0.00 -0.54 0.00 0.00 174.62 176.26 2ntl h ALA 129 N 2.12 1.00 -0.02 3.99 0.00 -1.96 -2.16 119.26 122.23 2ntl h ALA 129 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 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 0.39 0.00 -0.46 -0.25 0.00 0.00 0.00 179.25 178.93 2ntl n ASP 130 N -2.96 2.05 0.00 0.00 8.00 -1.26 -5.07 116.55 117.30 2ntl n ASP 130 Ca -0.02 -1.53 0.00 0.00 0.71 0.00 0.00 54.79 53.96 2ntl n ASP 130 Cb 0.13 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 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 1.41 -1.29 2.87 0.44 0.00 -0.81 -5.13 105.19 102.68 2ntl n GLY 131 Ca 0.09 -1.17 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 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 1.70 -0.09 0.99 2.96 -1.26 -0.17 118.68 122.80 2ntl s LEU 132 Ca 0.00 -0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 53.83 2ntl s LEU 132 Cb 0.00 -0.14 0.04 0.00 0.50 0.00 0.00 46.19 46.60 2ntl s LEU 132 CO 0.00 -0.02 0.22 -0.32 -1.32 0.00 0.00 176.35 174.91 2ntl s MET 133 N 0.34 0.18 -0.04 1.98 -2.45 0.41 -5.01 119.30 114.71 2ntl s MET 133 Ca -0.03 0.47 -0.01 0.00 -1.25 0.00 0.00 55.69 54.88 2ntl s MET 133 Cb -0.05 -0.12 0.03 0.00 1.25 0.00 0.00 34.83 35.94 2ntl s MET 133 CO -0.01 -0.15 0.02 0.08 1.05 0.00 0.00 175.02 176.00 2ntl s VAL 134 N 1.15 0.15 0.03 10.11 1.01 -1.26 0.13 120.40 131.72 2ntl s VAL 134 Ca -0.09 0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 2ntl s VAL 134 Cb -0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 2ntl s VAL 134 CO -0.07 0.18 0.07 -0.94 0.00 0.00 0.00 175.10 174.33 2ntl s SER 135 N 1.52 0.19 0.23 3.32 1.04 0.46 -4.98 113.70 115.48 2ntl s SER 135 Ca -0.03 -0.52 -0.30 0.00 0.48 0.00 0.00 55.95 55.58 2ntl s SER 135 Cb -0.13 0.20 -0.10 0.00 0.10 0.00 0.00 66.02 66.09 2ntl s SER 135 CO -0.03 -0.46 1.48 -0.60 0.98 0.00 0.00 173.24 174.62 2ntl s ARG 136 N -2.32 4.24 -0.11 4.02 3.52 -1.26 -1.33 118.95 125.71 2ntl s ARG 136 Ca -0.08 2.33 -0.29 0.00 -0.13 0.00 0.00 55.73 57.57 2ntl s ARG 136 Cb -0.03 -3.12 -0.01 0.00 -1.56 0.00 0.00 34.95 30.23 2ntl s ARG 136 CO -0.03 -0.49 1.00 0.08 -0.81 0.00 0.00 175.30 175.05 2ntl s VAL 137 N 0.31 4.78 0.23 7.11 1.01 0.22 -4.88 120.40 129.18 2ntl s VAL 137 Ca 0.62 2.03 -0.31 0.00 0.00 0.00 0.00 61.98 64.32 2ntl s VAL 137 Cb -0.43 -4.31 -0.11 0.00 0.00 0.00 0.00 36.38 31.53 2ntl s VAL 137 CO 0.40 -0.00 1.63 -2.16 0.00 0.00 0.00 175.10 174.97 2ntl s PRO 138 N 2.07 4.16 0.48 2.72 0.04 -1.26 -4.67 135.00 138.54 2ntl s PRO 138 Ca 0.48 2.52 0.22 0.00 0.04 0.00 0.00 61.00 64.25 2ntl s PRO 138 Cb -0.18 -3.08 1.22 0.00 0.04 0.00 0.00 34.50 32.50 2ntl s PRO 138 CO 0.17 -0.66 2.01 0.93 0.04 0.00 0.00 177.00 179.50 2ntl h GLU 139 N 6.05 0.00 0.00 4.56 4.39 -1.97 -2.52 114.58 125.09 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 0.17 0.00 1.05 -1.16 0.00 0.00 179.01 179.95 2ntl h GLU 140 N 0.00 0.00 -1.67 2.33 4.11 -1.95 -3.45 114.58 113.95 2ntl h GLU 140 Ca -0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.47 2ntl h GLU 140 Cb 0.38 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.38 2ntl h GLU 140 CO 0.02 0.00 0.40 -0.08 0.07 0.00 0.00 179.01 179.42 2ntl s THR 141 N -3.84 0.00 0.63 -1.06 -1.32 -0.95 -5.10 115.64 104.00 2ntl s THR 141 Ca -0.02 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.30 2ntl s THR 141 Cb 0.10 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.08 2ntl s THR 141 CO 0.43 0.00 1.12 -2.84 -2.21 0.00 0.00 174.62 171.12 2ntl s PRO 142 N 0.07 2.94 0.23 7.08 0.02 -1.26 -4.38 135.00 139.70 2ntl s PRO 142 Ca 0.02 1.49 0.02 0.00 0.02 0.00 0.00 61.00 62.54 2ntl s PRO 142 Cb -0.04 -1.96 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 2ntl s PRO 142 CO -0.04 -1.15 0.05 0.14 -0.33 0.00 0.00 177.00 175.67 2ntl s VAL 143 N -2.13 0.64 0.09 3.83 -7.23 -0.55 -1.63 120.40 113.42 2ntl s VAL 143 Ca 0.69 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.80 2ntl s VAL 143 Cb -0.22 -2.43 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 2ntl s VAL 143 CO 0.37 -0.19 0.15 -0.72 -0.31 0.00 0.00 175.10 174.40 2ntl s TYR 144 N -3.69 0.26 0.07 2.82 -0.85 -0.42 -1.03 117.35 114.51 2ntl s TYR 144 Ca 0.32 -0.71 -0.14 0.00 -0.52 0.00 0.00 57.07 56.03 2ntl s TYR 144 Cb 0.07 -0.13 0.02 0.00 0.38 0.00 0.00 41.96 42.30 2ntl s TYR 144 CO 0.10 -0.52 0.32 -1.50 -1.52 0.00 0.00 175.55 172.42 2ntl s ILE 145 N -3.89 0.09 0.27 -3.49 2.07 0.01 -1.26 121.20 115.00 2ntl s ILE 145 Ca 0.07 -0.72 0.02 0.00 -1.41 0.00 0.00 60.65 58.60 2ntl s ILE 145 Cb 0.05 -1.06 -0.05 0.00 0.13 0.00 0.00 42.46 41.54 2ntl s ILE 145 CO -0.10 -0.40 0.12 -0.94 -1.91 0.00 0.00 174.94 171.71 2ntl s SER 146 N -2.35 1.20 0.33 4.50 1.04 0.23 -1.52 113.70 117.14 2ntl s SER 146 Ca -0.02 -1.43 0.18 0.00 0.48 0.00 0.00 55.95 55.16 2ntl s SER 146 Cb 0.01 0.24 0.15 0.00 0.10 0.00 0.00 66.02 66.52 2ntl s SER 146 CO -0.06 -0.78 1.47 0.71 0.98 0.00 0.00 173.24 175.56 2ntl h THR 147 N 2.35 0.53 -4.17 2.02 1.35 -1.22 -3.35 112.91 110.42 2ntl h THR 147 Ca -0.37 -1.76 -0.47 0.00 -0.55 0.00 0.00 66.41 63.27 2ntl h THR 147 Cb 1.25 2.24 -0.29 0.00 -1.73 0.00 0.00 68.15 69.62 2ntl h THR 147 CO 0.58 0.30 -0.81 -0.31 -0.25 0.00 0.00 175.52 175.03 2ntl s TYR 148 N -3.06 1.18 0.00 4.73 4.12 -0.56 -4.45 117.35 119.32 2ntl s TYR 148 Ca 0.05 -0.23 0.00 0.00 0.02 0.00 0.00 57.07 56.91 2ntl s TYR 148 Cb 0.07 -0.76 0.00 0.00 -1.52 0.00 0.00 41.96 39.75 2ntl s TYR 148 CO 0.72 -0.02 0.00 0.39 0.02 0.00 0.00 175.55 176.66 2ntl n GLU 149 N 2.73 0.00 -1.55 -0.62 -0.58 -1.26 -4.33 120.64 115.03 2ntl n GLU 149 Ca -0.14 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.19 2ntl n GLU 149 Cb 0.55 0.00 -0.01 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 3.17 -0.74 3.49 -0.06 -1.26 -4.71 117.38 117.27 2ntl n GLN 150 Ca 0.00 -2.42 -0.14 0.00 -2.00 0.00 0.00 57.00 52.44 2ntl n GLN 150 Cb 0.00 -3.08 0.07 0.00 -4.06 0.00 0.00 30.24 23.17 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 4.50 2.39 -3.60 1.69 -2.24 -1.26 -0.60 114.28 115.16 2ntl n THR 151 Ca 0.63 -1.26 -0.16 0.00 -2.27 0.00 0.00 64.05 60.98 2ntl n THR 151 Cb 0.32 -0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 67.54 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 -1.79 0.93 0.32 -0.78 -1.05 -1.26 -4.99 118.70 110.09 2ntl s GLU 152 Ca 0.31 0.13 -0.28 0.00 -0.15 0.00 0.00 54.97 54.97 2ntl s GLU 152 Cb 0.25 0.43 -0.13 0.00 -0.44 0.00 0.00 34.13 34.25 2ntl s GLU 152 CO 0.03 -0.28 1.17 -2.30 0.95 0.00 0.00 175.26 174.84 2ntl n PRO 153 N 1.06 1.80 -4.22 -4.83 -0.02 -1.26 -4.71 135.00 122.81 2ntl n PRO 153 Ca -0.20 0.63 -0.21 0.00 -2.02 0.00 0.00 63.50 61.71 2ntl n PRO 153 Cb 0.57 -2.13 -0.16 0.00 -0.02 0.00 0.00 33.50 31.75 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 -1.09 0.76 0.55 3.55 0.00 -0.39 -4.94 121.76 120.20 2ntl s ALA 154 Ca 0.57 -0.11 -0.21 0.00 0.00 0.00 0.00 51.96 52.21 2ntl s ALA 154 Cb -0.62 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.01 2ntl s ALA 154 CO 0.61 -0.00 1.32 0.00 0.00 0.00 0.00 175.76 177.69 2ntl s ALA 155 N 0.89 2.78 -0.19 0.00 0.00 -1.26 -1.30 121.76 122.67 2ntl s ALA 155 Ca -0.11 1.25 -0.16 0.00 0.00 0.00 0.00 51.96 52.93 2ntl s ALA 155 Cb -0.15 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.49 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 -1.36 -0.00 -0.79 0.00 -1.32 -0.65 -4.86 115.64 106.65 2ntl s THR 156 Ca 0.72 0.01 -0.23 0.00 -1.21 0.00 0.00 61.69 60.98 2ntl s THR 156 Cb -0.38 -0.69 0.06 0.00 -1.51 0.00 0.00 72.50 69.99 2ntl s THR 156 CO 0.44 0.00 1.17 -0.70 -2.21 0.00 0.00 174.62 173.33 2ntl s GLU 157 N 0.46 3.30 -0.69 7.08 2.12 -1.26 -4.04 118.70 125.67 2ntl s GLU 157 Ca -0.02 -0.87 -0.18 0.00 0.36 0.00 0.00 54.97 54.27 2ntl s GLU 157 Cb -0.04 -4.54 0.13 0.00 0.26 0.00 0.00 34.13 29.95 2ntl s GLU 157 CO -0.02 -1.98 0.77 0.12 -0.54 0.00 0.00 175.26 173.61 2ntl s PHE 158 N 4.49 3.20 -0.17 5.30 5.36 -1.26 -5.00 117.98 129.90 2ntl s PHE 158 Ca 0.32 -1.28 -0.19 0.00 -0.96 0.00 0.00 56.93 54.83 2ntl s PHE 158 Cb -0.09 -4.00 -0.03 0.00 -0.34 0.00 0.00 43.02 38.55 2ntl s PHE 158 CO 0.05 -1.24 0.53 -1.59 -1.46 0.00 0.00 175.22 171.50 2ntl s LYS 159 N 2.07 4.25 -0.28 10.12 -2.85 -1.26 -4.84 119.74 126.95 2ntl s LYS 159 Ca 0.16 0.48 -0.26 0.00 -1.00 0.00 0.00 55.97 55.34 2ntl s LYS 159 Cb -0.19 -3.52 0.17 0.00 -2.06 0.00 0.00 37.83 32.24 2ntl s LYS 159 CO 0.00 -0.05 1.29 0.00 0.10 0.00 0.00 175.35 176.69 2ntl s ALA 160 N 1.30 -2.12 0.00 0.59 0.00 -1.26 -4.79 121.76 115.47 2ntl s ALA 160 Ca 0.26 1.75 0.00 0.00 0.00 0.00 0.00 51.96 53.97 2ntl s ALA 160 Cb -0.15 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.38 2ntl s ALA 160 CO 0.10 -0.17 0.93 0.41 0.00 0.00 0.00 175.76 177.03 2ntl n GLY 161 N 1.59 2.32 3.57 0.00 0.00 -1.26 -4.65 105.19 106.75 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 -0.45 0.31 1.61 1.04 -1.26 -4.96 113.70 109.14 2ntl s SER 162 Ca 0.00 -0.20 -0.00 0.00 0.48 0.00 0.00 55.95 56.23 2ntl s SER 162 Cb 0.00 0.62 0.50 0.00 0.10 0.00 0.00 66.02 67.24 2ntl s SER 162 CO 0.00 -1.05 1.95 1.55 0.98 0.00 0.00 173.24 176.67 2ntl h PRO 163 N 2.00 0.95 -0.08 4.02 0.13 -1.88 0.16 132.00 137.29 2ntl h PRO 163 Ca -0.28 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2ntl h PRO 163 Cb 1.28 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2ntl h PRO 163 CO 0.33 0.67 0.05 0.93 -0.23 0.00 0.00 178.00 179.74 2ntl h GLU 164 N 0.96 0.11 -0.52 0.86 3.07 -1.89 0.01 114.58 117.18 2ntl h GLU 164 Ca 0.25 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.06 2ntl h GLU 164 Cb -0.03 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 2ntl h GLU 164 CO -0.05 0.14 0.17 0.93 -1.40 0.00 0.00 179.01 178.80 2ntl h GLU 165 N 0.06 0.80 -0.34 2.33 5.08 -1.87 -1.12 114.58 119.51 2ntl h GLU 165 Ca 0.03 -0.17 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2ntl h GLU 165 Cb 0.06 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 2ntl h GLU 165 CO -0.01 0.74 0.16 0.00 -1.00 0.00 0.00 179.01 178.91 2ntl h ALA 166 N 1.03 0.42 -0.55 3.43 0.00 -0.77 0.10 119.26 122.92 2ntl h ALA 166 Ca 0.17 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2ntl h ALA 166 Cb 0.26 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2ntl h ALA 166 CO -0.01 -0.21 0.24 0.00 0.00 0.00 0.00 179.25 179.27 2ntl h ALA 167 N 1.18 0.71 -0.62 0.00 0.00 -0.79 -2.48 119.26 117.26 2ntl h ALA 167 Ca 0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2ntl h ALA 167 Cb 0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2ntl h ALA 167 CO -0.11 0.30 0.21 1.49 0.00 0.00 0.00 179.25 181.15 2ntl h GLU 168 N 0.75 0.93 -0.36 0.00 4.57 -0.80 -2.73 114.58 116.95 2ntl h GLU 168 Ca 0.19 -0.17 -0.08 0.00 -1.18 0.00 0.00 59.36 58.11 2ntl h GLU 168 Cb 0.16 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2ntl h GLU 168 CO -0.02 0.79 -0.10 0.35 -1.18 0.00 0.00 179.01 178.86 2ntl h PHE 169 N 0.91 0.78 0.00 0.92 3.57 -0.45 0.05 116.94 122.72 2ntl h PHE 169 Ca 0.21 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2ntl h PHE 169 Cb 0.24 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.79 2ntl h PHE 169 CO 0.02 0.85 0.00 0.97 -2.23 0.00 0.00 178.31 177.92 2ntl h ILE 170 N 0.49 0.00 0.13 1.41 2.10 -1.41 0.17 117.51 120.40 2ntl h ILE 170 Ca 0.09 -0.36 -0.33 0.00 1.08 0.00 0.00 64.86 65.34 2ntl h ILE 170 Cb 0.61 1.20 -0.01 0.00 -1.09 0.00 0.00 36.82 37.53 2ntl h ILE 170 CO 0.04 0.00 -1.77 0.25 -1.08 0.00 0.00 178.15 175.59 2ntl h LEU 171 N 0.00 0.41 0.00 2.19 5.85 -1.15 -3.45 115.31 119.17 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 0.50 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2ntl h LEU 171 CO 0.00 1.77 -0.17 0.29 -0.34 0.00 0.00 178.44 179.99 2ntl n LYS 172 N -3.68 3.86 -1.31 1.25 5.02 -0.03 -4.70 118.16 118.57 2ntl n LYS 172 Ca -0.29 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.71 2ntl n LYS 172 Cb 0.99 -0.49 0.15 0.00 -0.02 0.00 0.00 35.03 35.67 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 -0.39 1.58 0.00 0.72 0.00 0.60 -3.58 107.32 106.24 2ntl s GLY 173 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.36 2ntl s GLY 173 CO 0.00 0.20 0.00 0.61 0.00 0.00 0.00 173.10 173.91 2ntl n GLY 174 N -1.50 0.39 0.35 0.20 0.00 -1.26 -1.13 105.19 102.23 2ntl n GLY 174 Ca 0.06 -0.02 0.18 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.68 114.58 121.67 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 -0.04 2.06 -1.00 -1.41 -2.81 116.94 113.74 2ntl h PHE 176 Ca 0.12 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.85 2ntl h PHE 176 Cb 0.62 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.18 2ntl h PHE 176 CO 0.00 0.00 -0.21 0.00 -1.61 0.00 0.00 178.31 176.49 2ntl h ALA 177 N 2.07 1.58 0.00 2.45 0.00 -0.26 -2.61 119.26 122.49 2ntl h ALA 177 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2ntl h ALA 177 Cb 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2ntl h ALA 177 CO 0.00 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.56 2ntl h ALA 178 N 1.73 1.00 -2.16 0.00 0.00 -1.69 -3.44 119.26 114.70 2ntl h ALA 178 Ca 0.01 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.35 2ntl h ALA 178 Cb 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 2ntl h ALA 178 CO 0.03 0.00 0.69 -0.06 0.00 0.00 0.00 179.25 179.91 2ntl s PHE 179 N -3.27 3.42 0.72 0.00 0.08 -0.99 -4.88 117.98 113.06 2ntl s PHE 179 Ca 0.07 1.52 -0.11 0.00 0.12 0.00 0.00 56.93 58.53 2ntl s PHE 179 Cb 0.08 -3.23 0.02 0.00 -0.57 0.00 0.00 43.02 39.33 2ntl s PHE 179 CO 0.59 -0.37 1.07 0.95 -0.10 0.00 0.00 175.22 177.37 2ntl s THR 180 N 2.67 3.77 -1.07 0.64 -4.23 -0.51 -4.48 115.64 112.42 2ntl s THR 180 Ca 0.46 0.58 -0.03 0.00 -1.18 0.00 0.00 61.69 61.52 2ntl s THR 180 Cb -0.16 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.45 2ntl s THR 180 CO 0.11 -0.74 0.91 1.41 -0.54 0.00 0.00 174.62 175.77 2ntl n HIS 181 N -3.23 -2.09 -2.07 3.99 8.25 -1.26 -4.68 115.22 114.12 2ntl n HIS 181 Ca 0.08 0.82 -0.38 0.00 -0.26 0.00 0.00 57.72 57.98 2ntl n HIS 181 Cb 0.53 -4.52 0.01 0.00 1.12 0.00 0.00 29.99 27.13 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 -5.55 3.63 0.06 -0.41 0.02 -1.26 -2.14 135.00 129.35 2ntl s PRO 182 Ca 0.21 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.22 2ntl s PRO 182 Cb -0.09 -2.45 0.00 0.00 0.02 0.00 0.00 34.50 31.98 2ntl s PRO 182 CO 0.61 -0.72 0.00 0.28 -0.33 0.00 0.00 177.00 176.84 2ntl n VAL 183 N -0.50 0.23 -3.42 3.83 0.31 -0.53 -4.86 118.33 113.39 2ntl n VAL 183 Ca 0.07 0.08 -0.12 0.00 -0.01 0.00 0.00 64.34 64.36 2ntl n VAL 183 Cb 0.46 -1.10 -0.02 0.00 -0.91 0.00 0.00 33.84 32.27 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 0.00 0.15 2.52 -1.32 -1.20 -4.07 115.64 109.73 2ntl s THR 184 Ca 0.00 -0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.37 2ntl s THR 184 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2ntl s THR 184 CO 0.00 0.00 0.31 0.00 -2.21 0.00 0.00 174.62 172.72 2ntl s ALA 185 N -3.74 -0.24 0.17 11.08 0.00 -0.75 -0.11 121.76 128.17 2ntl s ALA 185 Ca 0.01 -0.68 -0.15 0.00 0.00 0.00 0.00 51.96 51.14 2ntl s ALA 185 Cb -0.01 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.91 2ntl s ALA 185 CO -0.13 -0.64 0.43 0.00 0.00 0.00 0.00 175.76 175.42 2ntl s ALA 186 N -3.92 -0.71 0.19 0.00 0.00 0.27 -1.46 121.76 116.13 2ntl s ALA 186 Ca 0.13 -0.34 -0.22 0.00 0.00 0.00 0.00 51.96 51.53 2ntl s ALA 186 Cb 0.03 0.80 0.05 0.00 0.00 0.00 0.00 23.12 24.00 2ntl s ALA 186 CO -0.03 -0.72 0.62 0.00 0.00 0.00 0.00 175.76 175.63 2ntl s ALA 187 N -3.88 -1.45 -0.07 0.00 0.00 -0.26 -0.59 121.76 115.52 2ntl s ALA 187 Ca 0.09 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.29 2ntl s ALA 187 Cb 0.01 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.02 2ntl s ALA 187 CO -0.05 -0.84 -0.09 0.00 0.00 0.00 0.00 175.76 174.78 2ntl s ALA 188 N -3.80 1.07 0.08 0.00 0.00 -0.45 -1.99 121.76 116.67 2ntl s ALA 188 Ca 0.04 -0.32 0.08 0.00 0.00 0.00 0.00 51.96 51.77 2ntl s ALA 188 Cb -0.02 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 2ntl s ALA 188 CO -0.07 -0.05 -0.22 0.12 0.00 0.00 0.00 175.76 175.54 2ntl s PHE 189 N 0.99 1.93 -0.24 0.00 5.36 -0.27 -2.03 117.98 123.72 2ntl s PHE 189 Ca -0.09 -0.40 -0.03 0.00 -0.96 0.00 0.00 56.93 55.45 2ntl s PHE 189 Cb -0.15 -1.10 0.08 0.00 -0.34 0.00 0.00 43.02 41.51 2ntl s PHE 189 CO 0.00 0.18 0.08 1.21 -1.46 0.00 0.00 175.22 175.23 2ntl s ASN 190 N -1.60 3.17 0.00 6.13 3.84 -0.16 -0.88 114.94 125.45 2ntl s ASN 190 Ca 0.08 -1.06 0.18 0.00 0.21 0.00 0.00 52.86 52.28 2ntl s ASN 190 Cb -0.10 -0.50 0.72 0.00 -0.55 0.00 0.00 41.25 40.82 2ntl s ASN 190 CO 0.03 -0.37 1.51 -0.90 -2.79 0.00 0.00 177.10 174.58 2ntl n ASP 191 N 5.11 1.39 0.00 -4.21 5.68 -1.26 -1.33 116.55 121.94 2ntl n ASP 191 Ca -0.06 -1.72 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 2ntl n ASP 191 Cb 0.45 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 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 1.05 2.17 1.24 6.12 0.00 -1.26 -4.89 105.19 109.61 2ntl n GLY 192 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.02 3.17 0.00 1.61 1.02 -1.26 -5.06 120.64 120.10 2ntl n GLU 193 Ca 0.00 -2.63 0.00 0.00 -0.02 0.00 0.00 57.16 54.51 2ntl n GLU 193 Cb 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 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 1.02 2.94 3.71 0.62 0.00 -1.26 -5.05 105.19 107.17 2ntl n GLY 194 Ca 0.22 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.39 3.65 0.06 1.61 0.52 -1.26 -4.17 118.94 116.96 2ntl s TRP 195 Ca 0.00 1.65 0.09 0.00 0.02 0.00 0.00 56.10 57.86 2ntl s TRP 195 Cb 0.00 -3.09 -0.03 0.00 -1.15 0.00 0.00 33.47 29.20 2ntl s TRP 195 CO 0.00 -0.00 -0.25 -0.80 0.02 0.00 0.00 176.95 175.92 2ntl s ASN 196 N 0.99 3.04 0.27 2.95 0.01 -0.06 -4.93 114.94 117.20 2ntl s ASN 196 Ca 0.50 -0.61 0.08 0.00 -0.71 0.00 0.00 52.86 52.13 2ntl s ASN 196 Cb -0.21 -0.25 -0.04 0.00 0.41 0.00 0.00 41.25 41.16 2ntl s ASN 196 CO 0.27 0.22 0.10 -0.76 -1.51 0.00 0.00 177.10 175.41 2ntl s LEU 197 N -1.40 3.47 -0.03 0.60 1.43 -1.26 -1.11 118.68 120.38 2ntl s LEU 197 Ca 0.11 -0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 52.44 2ntl s LEU 197 Cb -0.10 -1.99 0.10 0.00 0.03 0.00 0.00 46.19 44.23 2ntl s LEU 197 CO 0.03 -0.04 0.85 0.00 0.23 0.00 0.00 176.35 177.42 2ntl s ALA 198 N -2.25 -1.81 0.13 4.21 0.00 -0.84 -4.80 121.76 116.39 2ntl s ALA 198 Ca 0.33 1.12 0.04 0.00 0.00 0.00 0.00 51.96 53.44 2ntl s ALA 198 Cb -0.07 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 2ntl s ALA 198 CO 0.22 -0.57 -0.09 0.95 0.00 0.00 0.00 175.76 176.27 2ntl s THR 199 N -2.52 1.03 -0.10 0.00 -4.23 -1.26 -1.10 115.64 107.46 2ntl s THR 199 Ca 0.01 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.47 2ntl s THR 199 Cb -0.01 -1.77 0.04 0.00 1.34 0.00 0.00 72.50 72.10 2ntl s THR 199 CO -0.05 -0.77 0.23 -0.13 -0.54 0.00 0.00 174.62 173.37 2ntl s ARG 200 N -3.71 0.20 0.40 3.99 1.81 -0.53 -4.94 118.95 116.16 2ntl s ARG 200 Ca 0.15 0.50 0.08 0.00 -1.72 0.00 0.00 55.73 54.73 2ntl s ARG 200 Cb 0.03 -0.10 0.00 0.00 -0.45 0.00 0.00 34.95 34.43 2ntl s ARG 200 CO -0.01 -0.15 0.51 -1.21 -0.68 0.00 0.00 175.30 173.76 2ntl s GLU 201 N 1.15 2.84 0.00 3.54 0.41 -1.26 -1.81 118.70 123.57 2ntl s GLU 201 Ca -0.08 -1.24 0.17 0.00 -0.41 0.00 0.00 54.97 53.41 2ntl s GLU 201 Cb -0.10 -2.71 1.01 0.00 -1.78 0.00 0.00 34.13 30.55 2ntl s GLU 201 CO -0.08 -0.18 1.41 -1.33 -0.49 0.00 0.00 175.26 174.60