#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 3.29 -1.47 2.03 5.04 -1.26 -1.15 117.35 123.83 2ntl s TYR 2 Ca 0.00 -1.28 0.24 0.00 -2.44 0.00 0.00 57.07 53.59 2ntl s TYR 2 Cb 0.00 -2.76 0.36 0.00 0.35 0.00 0.00 41.96 39.91 2ntl s TYR 2 CO 0.00 -0.77 1.31 1.28 -1.34 0.00 0.00 175.55 176.03 2ntl n LEU 3 N 4.96 1.08 0.00 6.97 4.32 -1.26 -4.68 117.00 128.39 2ntl n LEU 3 Ca -0.11 -0.33 0.00 0.00 -0.02 0.00 0.00 56.01 55.55 2ntl n LEU 3 Cb 0.44 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 2ntl n LEU 3 CO 0.39 0.22 0.00 0.61 -1.22 0.00 0.00 177.39 177.39 2ntl n GLY 4 N 1.43 1.33 3.75 -0.72 0.00 -1.26 -1.41 105.19 108.30 2ntl n GLY 4 Ca 0.08 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 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 4.45 0.05 1.61 3.00 -1.26 -3.52 118.95 123.29 2ntl s ARG 5 Ca 0.00 1.99 0.05 0.00 0.00 0.00 0.00 55.73 57.78 2ntl s ARG 5 Cb 0.00 -3.19 -0.02 0.00 0.00 0.00 0.00 34.95 31.74 2ntl s ARG 5 CO 0.00 -0.13 -0.15 0.42 0.00 0.00 0.00 175.30 175.44 2ntl s ILE 6 N -0.30 1.18 -0.01 1.52 1.01 -0.41 -1.67 121.20 122.51 2ntl s ILE 6 Ca 0.53 -1.14 -0.07 0.00 0.00 0.00 0.00 60.65 59.96 2ntl s ILE 6 Cb -0.35 -1.09 0.01 0.00 0.01 0.00 0.00 42.46 41.03 2ntl s ILE 6 CO 0.40 -0.06 0.15 -1.48 0.00 0.00 0.00 174.94 173.95 2ntl s LEU 7 N -1.38 1.49 0.11 2.97 0.05 -0.60 -0.51 118.68 120.81 2ntl s LEU 7 Ca 0.01 -0.06 0.03 0.00 0.05 0.00 0.00 54.13 54.16 2ntl s LEU 7 Cb -0.09 0.66 -0.04 0.00 -2.05 0.00 0.00 46.19 44.67 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 -1.00 1.14 -0.03 1.48 0.00 -0.36 -0.80 121.76 122.20 2ntl s ALA 8 Ca -0.11 -1.26 -0.27 0.00 0.00 0.00 0.00 51.96 50.32 2ntl s ALA 8 Cb -0.06 0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.17 2ntl s ALA 8 CO 0.01 -0.08 0.58 0.54 0.00 0.00 0.00 175.76 176.82 2ntl s VAL 9 N -2.78 0.02 -5.00 0.00 0.11 -0.13 -0.69 120.40 111.93 2ntl s VAL 9 Ca 0.08 -0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 2ntl s VAL 9 Cb -0.01 -0.92 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 2ntl s VAL 9 CO -0.01 -0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.30 2ntl n GLY 10 N 0.89 -0.09 3.17 6.54 0.00 -0.85 -1.47 105.19 113.39 2ntl n GLY 10 Ca -0.19 -1.51 -0.17 0.00 0.00 0.00 0.00 46.02 44.15 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 0.82 0.25 1.61 0.52 -1.26 -1.03 118.95 117.85 2ntl s ARG 11 Ca 0.00 -1.00 0.05 0.00 -0.52 0.00 0.00 55.73 54.26 2ntl s ARG 11 Cb 0.00 -0.73 -0.02 0.00 0.52 0.00 0.00 34.95 34.72 2ntl s ARG 11 CO 0.00 0.15 0.19 0.27 0.02 0.00 0.00 175.30 175.93 2ntl n ASN 12 N 1.08 -0.27 0.15 0.23 0.23 -0.16 -4.36 115.26 112.17 2ntl n ASN 12 Ca -0.20 -2.58 0.18 0.00 -0.53 0.00 0.00 54.58 51.46 2ntl n ASN 12 Cb 0.55 1.14 0.79 0.00 -2.08 0.00 0.00 39.78 40.18 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 1.43 0.00 0.77 0.53 4.64 -1.94 -2.40 113.55 116.58 2ntl h SER 13 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2ntl h SER 13 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2ntl h SER 13 CO 0.26 0.00 -1.18 0.59 -0.87 0.00 0.00 176.83 175.64 2ntl n ASN 14 N -3.77 0.67 0.00 4.97 3.02 -1.26 -5.08 115.26 113.81 2ntl n ASN 14 Ca 0.04 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 2ntl n ASN 14 Cb 0.46 0.75 0.00 0.00 -0.61 0.00 0.00 39.78 40.37 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 1.21 -0.59 3.90 7.41 0.00 -0.91 -4.42 105.19 111.80 2ntl n GLY 15 Ca -0.01 -1.28 -0.23 0.00 0.00 0.00 0.00 46.02 44.51 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 5.99 0.08 1.61 0.01 -0.37 -0.99 113.70 116.03 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 -1.68 0.08 0.00 0.21 0.00 0.00 66.02 64.63 2ntl s SER 16 CO 0.00 -0.02 1.02 0.72 0.41 0.00 0.00 173.24 175.37 2ntl s PHE 17 N -1.94 -0.15 -0.06 2.43 -0.12 -0.20 -0.99 117.98 116.95 2ntl s PHE 17 Ca 0.33 -0.08 -0.04 0.00 -0.05 0.00 0.00 56.93 57.09 2ntl s PHE 17 Cb -0.09 0.60 0.03 0.00 -0.63 0.00 0.00 43.02 42.93 2ntl s PHE 17 CO 0.27 -0.66 0.14 0.14 -0.05 0.00 0.00 175.22 175.07 2ntl s VAL 18 N -3.07 -0.03 0.11 -2.49 -7.23 -0.85 -2.00 120.40 104.85 2ntl s VAL 18 Ca 0.11 0.10 0.07 0.00 -1.81 0.00 0.00 61.98 60.45 2ntl s VAL 18 Cb -0.00 -0.22 -0.03 0.00 0.56 0.00 0.00 36.38 36.68 2ntl s VAL 18 CO -0.01 0.04 -0.17 0.00 -0.31 0.00 0.00 175.10 174.65 2ntl s ALA 19 N 0.66 1.57 -0.04 1.32 0.00 0.13 -1.07 121.76 124.33 2ntl s ALA 19 Ca -0.05 -1.22 -0.05 0.00 0.00 0.00 0.00 51.96 50.64 2ntl s ALA 19 Cb -0.07 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.91 2ntl s ALA 19 CO -0.03 0.22 0.13 -0.47 0.00 0.00 0.00 175.76 175.61 2ntl s TYR 20 N -1.56 -0.11 -0.02 0.00 5.04 0.20 -1.22 117.35 119.68 2ntl s TYR 20 Ca 0.06 0.26 -0.00 0.00 -2.44 0.00 0.00 57.07 54.95 2ntl s TYR 20 Cb -0.08 0.03 0.02 0.00 0.35 0.00 0.00 41.96 42.28 2ntl s TYR 20 CO 0.04 -0.11 0.04 0.50 -1.34 0.00 0.00 175.55 174.67 2ntl s ARG 21 N -0.21 -0.01 -0.22 4.97 3.52 0.33 -0.70 118.95 126.64 2ntl s ARG 21 Ca -0.03 0.15 -0.15 0.00 -0.13 0.00 0.00 55.73 55.57 2ntl s ARG 21 Cb -0.02 -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 0.38 0.08 -0.81 0.00 0.00 175.30 174.84 2ntl s VAL 22 N 0.71 5.20 -0.09 7.11 1.01 0.66 -1.29 120.40 133.70 2ntl s VAL 22 Ca -0.06 0.65 0.04 0.00 0.00 0.00 0.00 61.98 62.61 2ntl s VAL 22 Cb -0.08 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2ntl s VAL 22 CO -0.02 0.23 -0.22 -0.44 0.00 0.00 0.00 175.10 174.65 2ntl s SER 23 N 1.18 2.92 0.07 3.32 0.01 -1.23 -1.48 113.70 118.48 2ntl s SER 23 Ca 0.17 -0.52 -0.16 0.00 1.31 0.00 0.00 55.95 56.75 2ntl s SER 23 Cb -0.15 -1.31 0.03 0.00 0.21 0.00 0.00 66.02 64.80 2ntl s SER 23 CO 0.08 0.15 0.37 -0.55 0.41 0.00 0.00 173.24 173.70 2ntl s SER 24 N 0.37 -0.21 -0.02 2.44 0.15 -0.92 -4.01 113.70 111.49 2ntl s SER 24 Ca -0.18 -0.16 -0.03 0.00 0.70 0.00 0.00 55.95 56.28 2ntl s SER 24 Cb -0.18 0.42 -0.02 0.00 -1.71 0.00 0.00 66.02 64.53 2ntl s SER 24 CO 0.08 -0.70 -0.07 0.54 1.20 0.00 0.00 173.24 174.29 2ntl n ARG 25 N 0.31 0.11 0.20 5.44 1.74 -1.26 -4.66 116.66 118.54 2ntl n ARG 25 Ca -0.18 0.05 0.07 0.00 -0.77 0.00 0.00 57.85 57.02 2ntl n ARG 25 Cb 0.61 -0.69 0.31 0.00 -1.02 0.00 0.00 32.46 31.67 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 -0.20 0.00 -2.44 0.55 4.64 -2.02 -3.38 113.55 110.71 2ntl h SER 26 Ca -0.08 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.64 2ntl h SER 26 Cb 0.75 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.46 2ntl h SER 26 CO -0.05 0.31 -0.91 0.49 -0.87 0.00 0.00 176.83 175.80 2ntl n PHE 27 N -3.36 0.01 1.12 4.77 3.01 -1.26 -4.93 117.46 116.82 2ntl n PHE 27 Ca 0.01 -3.54 0.12 0.00 1.01 0.00 0.00 57.45 55.05 2ntl n PHE 27 Cb 0.53 0.01 0.25 0.00 -0.01 0.00 0.00 39.48 40.26 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 2.44 0.52 -1.32 -1.08 -0.04 -1.26 -4.53 135.00 129.73 2ntl n PRO 28 Ca 0.27 -0.33 -0.30 0.00 -0.04 0.00 0.00 63.50 63.10 2ntl n PRO 28 Cb 0.46 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.95 7.41 -4.14 3.54 5.03 -1.26 -4.87 115.26 120.02 2ntl n ASN 29 Ca 0.09 -2.67 -0.09 0.00 0.87 0.00 0.00 54.58 52.77 2ntl n ASN 29 Cb 0.35 -1.46 -0.10 0.00 -1.02 0.00 0.00 39.78 37.55 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 1.03 0.76 0.28 3.52 0.52 -1.26 -1.63 118.95 122.17 2ntl s ARG 30 Ca 0.66 -1.31 -0.05 0.00 -0.52 0.00 0.00 55.73 54.52 2ntl s ARG 30 Cb 0.24 0.01 -0.01 0.00 0.52 0.00 0.00 34.95 35.71 2ntl s ARG 30 CO -0.06 -0.09 0.39 -0.08 0.02 0.00 0.00 175.30 175.48 2ntl s THR 31 N -3.79 0.00 0.00 0.02 -1.32 0.03 -4.69 115.64 105.89 2ntl s THR 31 Ca 0.12 -1.66 0.00 0.00 -1.21 0.00 0.00 61.69 58.94 2ntl s THR 31 Cb 0.07 -2.47 -0.04 0.00 -1.51 0.00 0.00 72.50 68.55 2ntl s THR 31 CO -0.06 0.00 0.07 0.42 -2.21 0.00 0.00 174.62 172.85 2ntl s THR 32 N -3.61 4.66 -0.03 5.08 -4.23 -1.26 -0.98 115.64 115.26 2ntl s THR 32 Ca 0.31 -0.46 0.03 0.00 -1.18 0.00 0.00 61.69 60.38 2ntl s THR 32 Cb 0.01 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.72 2ntl s THR 32 CO 0.16 0.33 -0.11 -0.55 -0.54 0.00 0.00 174.62 173.90 2ntl s SER 33 N -1.79 1.50 -0.19 3.99 0.15 0.55 -4.95 113.70 112.95 2ntl s SER 33 Ca 0.23 -0.24 -0.11 0.00 0.70 0.00 0.00 55.95 56.54 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 0.14 0.09 0.17 -0.63 1.20 0.00 0.00 173.24 174.21 2ntl s ILE 34 N 0.18 5.38 0.31 6.45 1.01 -1.26 -0.23 121.20 133.04 2ntl s ILE 34 Ca -0.04 0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.93 2ntl s ILE 34 Cb -0.10 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 2ntl s ILE 34 CO 0.01 0.43 0.13 0.00 0.00 0.00 0.00 174.94 175.51 2ntl n GLN 35 N 3.55 0.60 -1.47 2.79 1.13 -0.32 -5.00 117.38 118.66 2ntl n GLN 35 Ca -0.15 -2.68 -0.47 0.00 -1.94 0.00 0.00 57.00 51.76 2ntl n GLN 35 Cb 0.52 1.57 -0.08 0.00 0.11 0.00 0.00 30.24 32.37 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 -0.68 0.87 -2.54 -1.09 2.13 -1.26 -2.27 120.64 115.81 2ntl n GLU 36 Ca -0.03 0.18 -0.17 0.00 0.66 0.00 0.00 57.16 57.81 2ntl n GLU 36 Cb 0.48 -2.47 -0.00 0.00 0.27 0.00 0.00 31.44 29.71 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 -2.34 -3.45 5.31 1.02 -1.26 -4.95 120.64 123.35 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 -5.40 -0.03 0.00 -0.02 0.00 0.00 31.44 26.24 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 -5.16 1.16 -0.11 3.49 1.70 -0.96 -1.00 118.95 118.07 2ntl s ARG 38 Ca 0.05 -0.28 0.02 0.00 -0.47 0.00 0.00 55.73 55.05 2ntl s ARG 38 Cb -0.03 0.54 0.01 0.00 -0.57 0.00 0.00 34.95 34.91 2ntl s ARG 38 CO 0.06 -0.48 -0.17 0.08 -1.08 0.00 0.00 175.30 173.72 2ntl s VAL 39 N -3.06 1.60 -0.09 4.99 1.01 -0.18 -1.18 120.40 123.50 2ntl s VAL 39 Ca -0.01 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 2ntl s VAL 39 Cb -0.01 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 2ntl s VAL 39 CO -0.07 0.46 -0.02 0.00 0.00 0.00 0.00 175.10 175.47 2ntl s ALA 40 N 0.94 3.19 -0.33 5.51 0.00 0.68 -0.58 121.76 131.16 2ntl s ALA 40 Ca -0.07 -0.83 -0.19 0.00 0.00 0.00 0.00 51.96 50.88 2ntl s ALA 40 Cb -0.15 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 2ntl s ALA 40 CO -0.01 0.55 0.54 0.08 0.00 0.00 0.00 175.76 176.92 2ntl s VAL 41 N -0.75 5.00 0.20 0.00 1.01 0.42 -0.33 120.40 125.93 2ntl s VAL 41 Ca 0.12 0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.62 2ntl s VAL 41 Cb -0.11 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 2ntl s VAL 41 CO 0.02 -0.18 0.01 0.68 0.00 0.00 0.00 175.10 175.63 2ntl s VAL 42 N 2.45 0.75 0.42 2.92 -7.23 -0.15 -2.25 120.40 117.31 2ntl s VAL 42 Ca 0.21 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.14 2ntl s VAL 42 Cb -0.15 -2.23 -0.08 0.00 0.56 0.00 0.00 36.38 34.48 2ntl s VAL 42 CO 0.13 -0.39 1.12 -2.84 -0.31 0.00 0.00 175.10 172.81 2ntl s PRO 43 N -3.92 4.00 0.76 4.82 0.02 -1.26 -0.79 135.00 138.63 2ntl s PRO 43 Ca 0.26 1.69 -0.11 0.00 0.02 0.00 0.00 61.00 62.87 2ntl s PRO 43 Cb 0.06 -2.54 0.05 0.00 0.02 0.00 0.00 34.50 32.09 2ntl s PRO 43 CO 0.06 -0.33 1.08 0.14 -0.33 0.00 0.00 177.00 177.62 2ntl s VAL 44 N -1.55 3.52 0.32 3.83 -7.23 -0.65 -4.76 120.40 113.88 2ntl s VAL 44 Ca 0.59 0.49 -0.27 0.00 -1.81 0.00 0.00 61.98 60.99 2ntl s VAL 44 Cb -0.27 -3.15 -0.13 0.00 0.56 0.00 0.00 36.38 33.40 2ntl s VAL 44 CO 0.33 -0.64 0.98 1.21 -0.31 0.00 0.00 175.10 176.67 2ntl n GLU 45 N -3.37 1.31 0.00 4.82 2.13 -1.26 -2.10 120.64 122.17 2ntl n GLU 45 Ca 0.08 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.36 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 1.24 3.26 0.80 8.31 0.00 -1.26 -4.87 105.19 112.67 2ntl n GLY 46 Ca 0.10 0.00 0.08 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 -1.19 0.82 -0.33 1.61 8.25 -0.89 -4.69 115.22 118.80 2ntl n HIS 47 Ca 0.00 -0.96 0.21 0.00 -0.26 0.00 0.00 57.72 56.71 2ntl n HIS 47 Cb 0.00 -0.31 0.43 0.00 1.12 0.00 0.00 29.99 31.23 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 1.46 0.36 -1.02 -0.41 3.07 -1.88 0.92 114.58 117.08 2ntl h GLU 48 Ca 0.02 -0.02 0.25 0.00 -0.50 0.00 0.00 59.36 59.11 2ntl h GLU 48 Cb 1.40 -0.08 -0.10 0.00 -0.84 0.00 0.00 28.75 29.13 2ntl h GLU 48 CO 0.21 0.24 0.64 0.00 -1.40 0.00 0.00 179.01 178.70 2ntl h ARG 49 N 0.37 0.47 -0.95 2.33 2.47 -1.96 -2.99 114.38 114.13 2ntl h ARG 49 Ca 0.69 -0.03 0.29 0.00 -1.26 0.00 0.00 59.98 59.67 2ntl h ARG 49 Cb 1.50 -0.11 -0.15 0.00 -1.65 0.00 0.00 29.97 29.56 2ntl h ARG 49 CO -0.58 0.31 0.38 -0.44 0.56 0.00 0.00 179.97 180.20 2ntl h ASP 50 N 0.48 0.20 -0.10 7.04 3.32 -1.19 0.25 116.42 126.43 2ntl h ASP 50 Ca 0.61 0.21 0.03 0.00 0.02 0.00 0.00 57.03 57.89 2ntl h ASP 50 Cb 1.36 0.23 -0.00 0.00 0.22 0.00 0.00 39.33 41.14 2ntl h ASP 50 CO -0.36 -0.19 0.23 -0.37 -1.72 0.00 0.00 179.24 176.84 2ntl h VAL 51 N 0.22 0.18 0.00 -1.35 -1.51 -1.73 0.31 116.25 112.38 2ntl h VAL 51 Ca 0.66 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.13 2ntl h VAL 51 Cb 1.45 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.39 2ntl h VAL 51 CO -0.67 0.00 -0.55 0.49 -1.23 0.00 0.00 177.57 175.61 2ntl n PHE 52 N -3.29 0.36 -0.00 5.19 3.01 0.89 -3.88 117.46 119.73 2ntl n PHE 52 Ca -0.00 0.11 -0.19 0.00 1.01 0.00 0.00 57.45 58.37 2ntl n PHE 52 Cb 0.32 -0.53 -0.14 0.00 -0.01 0.00 0.00 39.48 39.12 2ntl n PHE 52 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2ntl n ARG 53 N -1.90 0.74 -3.76 -1.08 1.74 0.99 -4.86 116.66 108.52 2ntl n ARG 53 Ca 0.04 0.26 -0.21 0.00 -0.77 0.00 0.00 57.85 57.18 2ntl n ARG 53 Cb 0.40 -1.72 -0.17 0.00 -1.02 0.00 0.00 32.46 29.95 2ntl n ARG 53 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2ntl s ASN 54 N -6.85 1.23 0.00 0.55 3.84 -0.55 -5.03 114.94 108.12 2ntl s ASN 54 Ca -0.20 -0.01 0.18 0.00 0.21 0.00 0.00 52.86 53.04 2ntl s ASN 54 Cb 0.07 -0.29 1.09 0.00 -0.55 0.00 0.00 41.25 41.57 2ntl s ASN 54 CO 0.78 -0.20 1.68 -0.81 -2.79 0.00 0.00 177.10 175.76 2ntl n PRO 55 N 5.03 0.96 -0.12 0.43 -0.04 -1.26 -3.59 135.00 136.43 2ntl n PRO 55 Ca -0.09 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.41 2ntl n PRO 55 Cb 0.50 -1.30 0.11 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.80 0.30 0.58 0.54 4.02 -1.26 -4.64 117.16 115.91 2ntl n TYR 56 Ca 0.14 -0.43 0.11 0.00 -0.01 0.00 0.00 57.90 57.71 2ntl n TYR 56 Cb 0.06 -0.03 -0.02 0.00 -0.02 0.00 0.00 39.34 39.33 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 0.31 0.12 -5.00 -0.72 -5.35 -1.24 -4.87 119.36 102.61 2ntl n ILE 57 Ca 0.08 -0.23 -0.30 0.00 -0.27 0.00 0.00 62.75 62.03 2ntl n ILE 57 Cb 0.36 0.32 -0.17 0.00 -1.74 0.00 0.00 39.64 38.41 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 -3.20 1.94 -0.24 -1.28 0.00 -1.26 -4.65 121.76 113.07 2ntl s ALA 58 Ca 0.03 -0.84 -0.37 0.00 0.00 0.00 0.00 51.96 50.78 2ntl s ALA 58 Cb 0.15 -0.77 0.15 0.00 0.00 0.00 0.00 23.12 22.65 2ntl s ALA 58 CO 0.82 0.21 1.37 1.52 0.00 0.00 0.00 175.76 179.68 2ntl s TYR 59 N 0.48 -0.02 -0.11 0.00 -0.85 -0.95 -4.80 117.35 111.10 2ntl s TYR 59 Ca -0.16 0.01 -0.30 0.00 -0.52 0.00 0.00 57.07 56.10 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 0.06 -0.04 1.05 -0.80 -1.52 0.00 0.00 175.55 174.30 2ntl s ASN 60 N -2.22 7.19 0.06 -0.18 0.01 -1.26 -0.44 114.94 118.10 2ntl s ASN 60 Ca 0.12 1.58 0.23 0.00 -0.71 0.00 0.00 52.86 54.08 2ntl s ASN 60 Cb 0.01 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 2ntl s ASN 60 CO -0.03 -0.50 0.93 0.00 -1.51 0.00 0.00 177.10 175.99 2ntl s ILE 62 N -3.28 -0.03 -0.03 0.00 1.01 -1.10 -1.39 121.20 116.38 2ntl s ILE 62 Ca 0.01 0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.80 2ntl s ILE 62 Cb 0.13 -0.19 0.01 0.00 0.01 0.00 0.00 42.46 42.42 2ntl s ILE 62 CO 0.82 0.05 -0.06 -0.13 0.00 0.00 0.00 174.94 175.62 2ntl s ARG 63 N 0.77 0.81 -0.19 2.79 1.81 -0.23 -1.01 118.95 123.69 2ntl s ARG 63 Ca -0.06 -0.19 -0.03 0.00 -1.72 0.00 0.00 55.73 53.72 2ntl s ARG 63 Cb -0.08 -0.78 -0.01 0.00 -0.45 0.00 0.00 34.95 33.62 2ntl s ARG 63 CO -0.03 0.03 -0.05 0.42 -0.68 0.00 0.00 175.30 174.98 2ntl s ILE 64 N 0.45 3.48 -0.24 1.52 -1.09 -0.17 -0.59 121.20 124.56 2ntl s ILE 64 Ca -0.06 -0.48 -0.00 0.00 -2.23 0.00 0.00 60.65 57.88 2ntl s ILE 64 Cb -0.10 -2.55 0.07 0.00 -1.58 0.00 0.00 42.46 38.29 2ntl s ILE 64 CO 0.00 0.45 -0.00 0.68 -1.23 0.00 0.00 174.94 174.84 2ntl s VAL 65 N 1.03 1.22 0.00 2.92 -7.23 0.53 -4.91 120.40 113.97 2ntl s VAL 65 Ca 0.01 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 2ntl s VAL 65 Cb -0.15 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.15 2ntl s VAL 65 CO 0.00 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.15 2ntl n GLY 66 N 4.77 3.88 0.40 2.32 0.00 -1.26 -0.35 105.19 114.94 2ntl n GLY 66 Ca -0.09 0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 6.44 1.21 -4.59 1.61 5.75 -1.26 -4.88 116.55 120.84 2ntl n ASP 67 Ca 0.00 -1.62 -0.34 0.00 -0.01 0.00 0.00 54.79 52.82 2ntl n ASP 67 Cb 0.00 -0.07 -0.11 0.00 -1.03 0.00 0.00 41.12 39.91 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 -1.85 4.14 -0.15 2.12 2.01 0.52 -4.12 115.64 118.32 2ntl s THR 68 Ca 0.31 -0.29 -0.04 0.00 0.31 0.00 0.00 61.69 61.98 2ntl s THR 68 Cb 0.16 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 2ntl s THR 68 CO 0.25 0.54 -0.01 0.00 -0.69 0.00 0.00 174.62 174.71 2ntl s ALA 69 N -0.17 3.16 -0.05 7.40 0.00 0.62 -0.35 121.76 132.36 2ntl s ALA 69 Ca 0.04 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.27 2ntl s ALA 69 Cb -0.13 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.35 2ntl s ALA 69 CO 0.02 0.27 -0.24 0.08 0.00 0.00 0.00 175.76 175.90 2ntl s VAL 70 N 0.14 1.91 -0.00 0.00 1.01 0.24 -0.57 120.40 123.13 2ntl s VAL 70 Ca 0.01 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.99 2ntl s VAL 70 Cb -0.13 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.63 2ntl s VAL 70 CO 0.02 0.54 -0.02 0.54 0.00 0.00 0.00 175.10 176.18 2ntl s VAL 71 N -0.23 0.13 0.14 2.92 0.11 0.02 -1.07 120.40 122.43 2ntl s VAL 71 Ca -0.00 -0.06 -0.24 0.00 -2.93 0.00 0.00 61.98 58.74 2ntl s VAL 71 Cb -0.12 -0.13 0.07 0.00 -1.53 0.00 0.00 36.38 34.67 2ntl s VAL 71 CO 0.02 0.04 0.78 -0.94 -3.33 0.00 0.00 175.10 171.67 2ntl s SER 72 N 0.01 -0.36 -0.09 3.54 1.04 -0.49 -0.86 113.70 116.50 2ntl s SER 72 Ca 0.00 -0.23 0.08 0.00 0.48 0.00 0.00 55.95 56.28 2ntl s SER 72 Cb -0.01 0.55 0.38 0.00 0.10 0.00 0.00 66.02 67.04 2ntl s SER 72 CO -0.00 -0.95 1.15 -0.46 0.98 0.00 0.00 173.24 173.96 2ntl n ASN 73 N -0.38 2.98 -1.84 7.02 6.94 -1.14 -4.37 115.26 124.47 2ntl n ASN 73 Ca -0.10 -2.34 -0.01 0.00 -0.02 0.00 0.00 54.58 52.11 2ntl n ASN 73 Cb 0.62 -0.50 0.01 0.00 -2.36 0.00 0.00 39.78 37.54 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 0.50 1.07 0.13 4.83 0.00 -1.26 -4.98 105.19 105.48 2ntl n GLY 74 Ca 0.13 -1.01 0.08 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.85 0.39 0.00 1.61 3.41 -1.26 -1.28 113.62 115.64 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 0.21 -0.66 0.33 0.00 -0.26 0.00 0.00 64.21 63.83 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 -2.04 0.00 -0.24 7.33 1.44 -1.26 -2.10 115.22 118.35 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 0.13 -0.41 0.05 0.00 0.12 0.00 0.00 29.99 29.87 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 1.19 -0.22 0.61 2.02 -1.41 0.51 112.91 115.62 2ntl h THR 77 Ca 0.00 -0.43 -0.17 0.00 0.77 0.00 0.00 66.41 66.58 2ntl h THR 77 Cb 0.20 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2ntl h THR 77 CO 0.00 0.20 -0.55 0.44 0.37 0.00 0.00 175.52 175.98 2ntl h ASP 78 N 0.92 0.73 -0.48 4.18 3.32 -1.66 -1.41 116.42 122.02 2ntl h ASP 78 Ca 0.24 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 2ntl h ASP 78 Cb -0.03 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 2ntl h ASP 78 CO -0.05 1.13 0.29 0.74 -1.72 0.00 0.00 179.24 179.64 2ntl h THR 79 N 0.50 1.15 0.01 0.35 2.02 -1.40 -0.55 112.91 115.00 2ntl h THR 79 Ca 0.01 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 2ntl h THR 79 Cb 1.12 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2ntl h THR 79 CO 0.11 0.15 -0.01 0.40 0.37 0.00 0.00 175.52 176.55 2ntl h ILE 80 N 0.64 1.34 -0.78 3.11 2.04 -0.89 -3.01 117.51 119.96 2ntl h ILE 80 Ca 0.17 -1.06 0.05 0.00 1.00 0.00 0.00 64.86 65.03 2ntl h ILE 80 Cb -0.00 2.05 -0.06 0.00 -0.74 0.00 0.00 36.82 38.07 2ntl h ILE 80 CO -0.03 0.27 0.48 0.00 0.00 0.00 0.00 178.15 178.87 2ntl h ALA 81 N 0.51 1.05 -1.00 1.87 0.00 -1.19 -1.54 119.26 118.97 2ntl h ALA 81 Ca -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2ntl h ALA 81 Cb 0.46 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 2ntl h ALA 81 CO 0.00 0.22 0.66 -0.44 0.00 0.00 0.00 179.25 179.69 2ntl h ASP 82 N 0.89 1.12 -0.28 0.00 3.32 -1.13 0.12 116.42 120.47 2ntl h ASP 82 Ca 0.33 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.24 2ntl h ASP 82 Cb 0.13 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2ntl h ASP 82 CO -0.16 0.80 -0.24 0.11 -1.72 0.00 0.00 179.24 178.03 2ntl h LYS 83 N 1.32 0.76 -0.40 3.56 1.79 -1.21 -0.51 116.57 121.88 2ntl h LYS 83 Ca 0.38 -0.32 -0.08 0.00 -2.18 0.00 0.00 60.65 58.46 2ntl h LYS 83 Cb -0.10 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 2ntl h LYS 83 CO -0.10 0.93 -0.05 0.28 -1.08 0.00 0.00 179.45 179.43 2ntl h VAL 84 N 0.66 1.27 -0.90 0.50 2.07 -0.74 -1.26 116.25 117.85 2ntl h VAL 84 Ca 0.09 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.53 2ntl h VAL 84 Cb 0.75 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 2ntl h VAL 84 CO 0.06 0.37 0.58 0.00 0.02 0.00 0.00 177.57 178.61 2ntl h ALA 85 N 0.86 1.18 -0.05 1.67 0.00 -0.47 -1.18 119.26 121.27 2ntl h ALA 85 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ntl h ALA 85 Cb 0.56 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2ntl h ALA 85 CO 0.03 0.45 0.00 1.28 0.00 0.00 0.00 179.25 181.01 2ntl n LEU 86 N -4.51 0.73 -0.58 0.00 4.77 -0.22 -4.96 117.00 112.23 2ntl n LEU 86 Ca 0.11 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2ntl n LEU 86 Cb 0.08 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2ntl n LEU 86 CO 0.34 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2ntl n GLY 87 N 0.99 -1.12 3.63 -0.72 0.00 -0.45 -5.05 105.19 102.48 2ntl n GLY 87 Ca 0.17 -0.60 -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 -0.17 0.49 0.76 1.61 0.00 -1.07 -4.89 119.30 116.04 2ntl s MET 88 Ca 0.00 0.87 -0.15 0.00 0.00 0.00 0.00 55.69 56.41 2ntl s MET 88 Cb 0.00 0.13 0.04 0.00 0.00 0.00 0.00 34.83 35.00 2ntl s MET 88 CO 0.00 -0.11 1.06 0.27 0.00 0.00 0.00 175.02 176.24 2ntl n ASN 89 N 3.99 0.69 -0.04 1.11 0.23 -1.26 -4.43 115.26 115.55 2ntl n ASN 89 Ca -0.19 0.63 -0.08 0.00 -0.53 0.00 0.00 54.58 54.42 2ntl n ASN 89 Cb 0.58 -1.45 -0.02 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 -0.51 -0.30 -0.18 -4.53 3.38 -1.99 -1.52 115.31 109.65 2ntl h LEU 90 Ca -0.47 0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.63 2ntl h LEU 90 Cb 1.32 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 42.18 2ntl h LEU 90 CO 0.46 -0.12 -0.25 -0.09 0.09 0.00 0.00 178.44 178.53 2ntl h ARG 91 N -0.05 -0.28 -0.55 1.13 2.43 -1.97 -0.98 114.38 114.10 2ntl h ARG 91 Ca 0.11 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2ntl h ARG 91 Cb 0.23 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2ntl h ARG 91 CO -0.26 -0.19 0.21 -0.44 -1.51 0.00 0.00 179.97 177.79 2ntl h ASP 92 N -0.29 0.77 -0.93 -3.80 3.32 -1.90 0.26 116.42 113.85 2ntl h ASP 92 Ca 0.12 -0.18 0.06 0.00 0.02 0.00 0.00 57.03 57.05 2ntl h ASP 92 Cb 0.47 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.76 2ntl h ASP 92 CO -0.35 0.74 0.59 0.00 -1.72 0.00 0.00 179.24 178.50 2ntl h ALA 93 N 1.06 1.27 -0.02 3.45 0.00 -0.85 0.59 119.26 124.77 2ntl h ALA 93 Ca 0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2ntl h ALA 93 Cb 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2ntl h ALA 93 CO -0.01 0.37 -0.14 0.82 0.00 0.00 0.00 179.25 180.29 2ntl h ILE 94 N 1.08 1.52 -0.02 0.00 2.04 -0.96 -2.96 117.51 118.21 2ntl h ILE 94 Ca 0.40 -1.72 0.03 0.00 1.00 0.00 0.00 64.86 64.57 2ntl h ILE 94 Cb 0.15 2.60 -0.04 0.00 -0.74 0.00 0.00 36.82 38.78 2ntl h ILE 94 CO -0.17 0.46 -0.22 1.23 0.00 0.00 0.00 178.15 179.46 2ntl h GLY 95 N -0.51 -0.30 0.94 5.37 0.00 0.11 -0.98 103.07 107.69 2ntl h GLY 95 Ca -0.01 0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.60 2ntl h GLY 95 CO 0.03 -0.19 0.35 -2.00 0.00 0.00 0.00 176.54 174.72 2ntl h LEU 96 N -0.34 0.58 -0.21 3.11 5.85 0.06 -0.67 115.31 123.70 2ntl h LEU 96 Ca 0.07 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2ntl h LEU 96 Cb 0.43 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2ntl h LEU 96 CO -0.21 0.42 0.08 0.28 -0.34 0.00 0.00 178.44 178.66 2ntl h SER 97 N 0.70 0.29 -0.50 1.25 0.02 -1.33 -2.08 113.55 111.91 2ntl h SER 97 Ca 0.21 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.91 2ntl h SER 97 Cb -0.03 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 2ntl h SER 97 CO -0.07 0.39 0.02 -0.07 -1.14 0.00 0.00 176.83 175.96 2ntl h LEU 98 N 0.17 0.85 -0.70 5.07 3.38 -1.05 0.16 115.31 123.18 2ntl h LEU 98 Ca 0.07 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.80 2ntl h LEU 98 Cb 0.19 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 2ntl h LEU 98 CO -0.00 0.93 0.41 0.25 0.09 0.00 0.00 178.44 180.12 2ntl h LEU 99 N 0.73 0.64 0.07 1.67 5.85 -1.05 0.31 115.31 123.53 2ntl h LEU 99 Ca 0.14 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 2ntl h LEU 99 Cb 0.48 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2ntl h LEU 99 CO 0.02 0.42 -0.03 0.00 -0.34 0.00 0.00 178.44 178.51 2ntl h ALA 100 N 1.34 -0.09 -0.17 1.25 0.00 -1.17 -3.35 119.26 117.07 2ntl h ALA 100 Ca 0.31 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ntl h ALA 100 Cb 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2ntl h ALA 100 CO -0.16 -0.16 0.11 0.52 0.00 0.00 0.00 179.25 179.56 2ntl h MET 101 N -0.88 0.23 -1.25 0.00 2.86 -0.66 -3.49 114.93 111.74 2ntl h MET 101 Ca -0.01 -0.01 0.15 0.00 -2.06 0.00 0.00 59.70 57.77 2ntl h MET 101 Cb 0.60 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.17 2ntl h MET 101 CO 0.02 0.16 -0.22 -3.47 1.06 0.00 0.00 176.91 174.45 2ntl n ASP 102 N -4.97 -3.31 -4.74 1.22 4.64 0.11 -4.85 116.55 104.65 2ntl n ASP 102 Ca -0.04 0.25 -0.32 0.00 -1.38 0.00 0.00 54.79 53.29 2ntl n ASP 102 Cb 0.03 -1.70 0.09 0.00 -1.04 0.00 0.00 41.12 38.51 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 -1.62 2.28 0.30 -0.67 -0.85 -1.26 -4.61 117.35 110.93 2ntl s TYR 103 Ca 0.00 1.61 -0.29 0.00 -0.52 0.00 0.00 57.07 57.87 2ntl s TYR 103 Cb 0.00 -3.25 -0.10 0.00 0.38 0.00 0.00 41.96 39.00 2ntl s TYR 103 CO 0.00 -2.16 1.12 -1.21 -1.52 0.00 0.00 175.55 171.79 2ntl s GLU 104 N -4.36 4.52 -1.39 -3.49 2.02 0.16 -4.94 118.70 111.23 2ntl s GLU 104 Ca 0.67 1.83 -0.06 0.00 0.02 0.00 0.00 54.97 57.43 2ntl s GLU 104 Cb -0.22 -3.08 0.08 0.00 0.10 0.00 0.00 34.13 31.00 2ntl s GLU 104 CO 0.49 0.10 2.50 1.63 0.02 0.00 0.00 175.26 179.99 2ntl n LYS 105 N 0.96 4.39 -2.60 1.61 4.76 -1.26 -3.30 118.16 122.71 2ntl n LYS 105 Ca -0.00 -3.20 -0.13 0.00 -2.87 0.00 0.00 58.31 52.11 2ntl n LYS 105 Cb 0.45 -2.68 0.00 0.00 -1.84 0.00 0.00 35.03 30.97 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 2.18 1.79 0.00 4.39 5.68 -1.26 -4.95 116.55 124.38 2ntl n ASP 106 Ca 0.65 -1.94 0.05 0.00 -0.50 0.00 0.00 54.79 53.06 2ntl n ASP 106 Cb 0.25 -0.04 0.25 0.00 -1.14 0.00 0.00 41.12 40.43 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 -1.21 0.15 0.00 0.11 1.02 -1.26 -1.98 120.64 117.47 2ntl n GLU 107 Ca -0.00 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 2ntl n GLU 107 Cb 0.31 -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 -1.26 0.85 -3.80 -4.62 4.77 -1.26 -4.98 117.00 106.69 2ntl n LEU 108 Ca 0.05 -0.92 -0.28 0.00 -0.03 0.00 0.00 56.01 54.82 2ntl n LEU 108 Cb 0.07 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.21 2ntl n LEU 108 CO 0.07 0.21 0.15 0.59 -1.33 0.00 0.00 177.39 177.09 2ntl n ASN 109 N -0.15 -5.36 -4.65 -1.43 3.02 -0.84 -4.79 115.26 101.06 2ntl n ASN 109 Ca 0.00 -0.69 -0.56 0.00 -0.03 0.00 0.00 54.58 53.30 2ntl n ASN 109 Cb 0.00 -4.26 -0.07 0.00 -0.61 0.00 0.00 39.78 34.85 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 -4.79 0.15 -1.01 3.41 -1.04 -1.21 -4.49 114.28 105.30 2ntl n THR 110 Ca 0.03 -0.03 -0.31 0.00 -2.04 0.00 0.00 64.05 61.71 2ntl n THR 110 Cb 0.54 -0.95 0.13 0.00 -1.82 0.00 0.00 70.33 68.22 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 2.04 1.62 -0.17 -2.82 0.02 -1.26 0.39 135.00 134.81 2ntl s PRO 111 Ca 0.92 1.29 -0.04 0.00 0.02 0.00 0.00 61.00 63.19 2ntl s PRO 111 Cb -1.05 -1.82 -0.02 0.00 0.02 0.00 0.00 34.50 31.63 2ntl s PRO 111 CO 0.58 -2.13 -0.04 1.03 -0.33 0.00 0.00 177.00 176.12 2ntl s ARG 112 N -4.80 3.60 0.22 5.54 0.52 -0.88 -4.68 118.95 118.48 2ntl s ARG 112 Ca 0.64 -0.54 0.11 0.00 -0.52 0.00 0.00 55.73 55.41 2ntl s ARG 112 Cb -0.20 -2.94 -0.05 0.00 0.52 0.00 0.00 34.95 32.28 2ntl s ARG 112 CO 0.57 0.13 -0.21 0.96 0.02 0.00 0.00 175.30 176.77 2ntl s ILE 113 N 0.64 2.26 0.07 1.52 -4.36 -1.26 -0.94 121.20 119.13 2ntl s ILE 113 Ca -0.02 -2.16 -0.27 0.00 -0.26 0.00 0.00 60.65 57.94 2ntl s ILE 113 Cb -0.14 -2.13 0.08 0.00 1.25 0.00 0.00 42.46 41.52 2ntl s ILE 113 CO 0.02 -0.28 0.93 0.00 0.24 0.00 0.00 174.94 175.85 2ntl s ALA 114 N -2.12 -1.75 0.02 2.27 0.00 -0.24 -2.87 121.76 117.07 2ntl s ALA 114 Ca 0.23 0.57 -0.27 0.00 0.00 0.00 0.00 51.96 52.50 2ntl s ALA 114 Cb -0.06 0.52 0.07 0.00 0.00 0.00 0.00 23.12 23.65 2ntl s ALA 114 CO 0.11 -0.87 0.62 0.00 0.00 0.00 0.00 175.76 175.61 2ntl s ALA 115 N -3.18 -1.61 -0.05 0.00 0.00 -0.04 0.11 121.76 116.99 2ntl s ALA 115 Ca 0.09 0.93 -0.07 0.00 0.00 0.00 0.00 51.96 52.91 2ntl s ALA 115 Cb -0.01 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.43 2ntl s ALA 115 CO -0.03 -0.50 0.19 0.00 0.00 0.00 0.00 175.76 175.41 2ntl s ALA 116 N -2.11 -0.46 -0.05 0.00 0.00 -0.16 -0.80 121.76 118.19 2ntl s ALA 116 Ca -0.07 0.37 -0.05 0.00 0.00 0.00 0.00 51.96 52.21 2ntl s ALA 116 Cb -0.01 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.93 2ntl s ALA 116 CO 0.02 -0.13 0.13 -1.50 0.00 0.00 0.00 175.76 174.28 2ntl s ILE 117 N -0.33 0.01 0.00 0.00 2.07 0.26 -1.06 121.20 122.15 2ntl s ILE 117 Ca -0.04 -0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.15 2ntl s ILE 117 Cb -0.03 -0.20 0.00 0.00 0.13 0.00 0.00 42.46 42.36 2ntl s ILE 117 CO 0.01 -0.02 0.00 -0.46 -1.91 0.00 0.00 174.94 172.55 2ntl n ASN 118 N 2.92 0.54 -0.25 4.50 0.23 -0.54 -0.28 115.26 122.38 2ntl n ASN 118 Ca -0.13 -0.65 0.09 0.00 -0.53 0.00 0.00 54.58 53.36 2ntl n ASN 118 Cb 0.59 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.64 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 1.15 0.00 4.83 0.00 -2.02 -3.33 103.07 103.70 2ntl h GLY 119 Ca 0.00 -0.32 -0.16 0.00 0.00 0.00 0.00 47.33 46.86 2ntl h GLY 119 CO 0.00 0.16 -1.71 -1.14 0.00 0.00 0.00 176.54 173.85 2ntl n SER 120 N -4.53 2.29 -4.05 0.19 3.41 -1.26 -5.08 113.62 104.59 2ntl n SER 120 Ca 0.15 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.64 2ntl n SER 120 Cb 0.36 0.94 -0.09 0.00 -0.26 0.00 0.00 64.21 65.16 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 -2.39 1.35 -0.12 4.33 -1.05 -1.25 -5.10 118.70 114.47 2ntl s GLU 121 Ca -0.05 -1.58 -0.16 0.00 -0.15 0.00 0.00 54.97 53.03 2ntl s GLU 121 Cb 0.04 0.33 0.04 0.00 -0.44 0.00 0.00 34.13 34.10 2ntl s GLU 121 CO 0.46 -0.48 0.43 0.00 0.95 0.00 0.00 175.26 176.62 2ntl s ALA 122 N -4.03 -1.07 0.08 -0.84 0.00 -1.26 -1.47 121.76 113.18 2ntl s ALA 122 Ca 0.35 1.05 0.04 0.00 0.00 0.00 0.00 51.96 53.40 2ntl s ALA 122 Cb 0.05 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 2ntl s ALA 122 CO 0.13 -0.23 -0.11 -0.06 0.00 0.00 0.00 175.76 175.49 2ntl s PHE 123 N -0.20 1.07 0.02 0.00 0.40 -0.22 -0.42 117.98 118.63 2ntl s PHE 123 Ca -0.04 -0.57 0.02 0.00 -0.60 0.00 0.00 56.93 55.75 2ntl s PHE 123 Cb -0.03 -0.59 -0.01 0.00 0.51 0.00 0.00 43.02 42.89 2ntl s PHE 123 CO 0.02 0.01 -0.08 -1.50 0.70 0.00 0.00 175.22 174.38 2ntl s ILE 124 N -1.95 0.59 0.19 0.64 2.07 -0.44 -0.99 121.20 121.31 2ntl s ILE 124 Ca 0.01 -0.67 -0.14 0.00 -1.41 0.00 0.00 60.65 58.45 2ntl s ILE 124 Cb -0.06 -0.56 0.01 0.00 0.13 0.00 0.00 42.46 41.98 2ntl s ILE 124 CO 0.01 -0.08 0.44 -0.83 -1.91 0.00 0.00 174.94 172.57 2ntl s GLY 125 N -0.82 0.15 -0.03 1.50 0.00 0.12 -0.36 107.32 107.88 2ntl s GLY 125 Ca -0.02 -0.50 -0.20 0.00 0.00 0.00 0.00 44.72 44.00 2ntl s GLY 125 CO 0.00 -0.48 0.43 -1.50 0.00 0.00 0.00 173.10 171.55 2ntl s ILE 126 N -3.92 0.04 -0.05 0.90 2.07 0.16 -1.08 121.20 119.33 2ntl s ILE 126 Ca 0.13 -0.31 0.01 0.00 -1.41 0.00 0.00 60.65 59.07 2ntl s ILE 126 Cb 0.00 -0.74 0.02 0.00 0.13 0.00 0.00 42.46 41.88 2ntl s ILE 126 CO -0.01 -0.17 -0.06 0.54 -1.91 0.00 0.00 174.94 173.33 2ntl s VAL 127 N -1.23 0.64 0.31 4.00 0.11 -0.12 -0.43 120.40 123.68 2ntl s VAL 127 Ca -0.12 -0.19 0.05 0.00 -2.93 0.00 0.00 61.98 58.79 2ntl s VAL 127 Cb -0.04 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 34.13 2ntl s VAL 127 CO 0.06 0.25 0.23 0.42 -3.33 0.00 0.00 175.10 172.73 2ntl s THR 128 N 0.86 0.07 0.47 5.04 -4.23 0.82 -2.08 115.64 116.59 2ntl s THR 128 Ca -0.12 -2.00 0.40 0.00 -1.18 0.00 0.00 61.69 58.79 2ntl s THR 128 Cb -0.15 -2.49 0.40 0.00 1.34 0.00 0.00 72.50 71.61 2ntl s THR 128 CO 0.01 0.00 2.22 0.00 -0.54 0.00 0.00 174.62 176.31 2ntl h ALA 129 N 2.21 1.00 -0.01 3.99 0.00 -1.96 -1.87 119.26 122.62 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 0.42 0.00 -0.44 -0.25 0.00 0.00 0.00 179.25 178.98 2ntl n ASP 130 N -2.91 1.88 0.00 0.00 8.00 -1.26 -5.08 116.55 117.18 2ntl n ASP 130 Ca -0.03 -1.44 0.00 0.00 0.71 0.00 0.00 54.79 54.04 2ntl n ASP 130 Cb 0.07 0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 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 1.33 -1.40 2.89 0.44 0.00 -0.70 -5.13 105.19 102.62 2ntl n GLY 131 Ca 0.08 -1.14 -0.15 0.00 0.00 0.00 0.00 46.02 44.81 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 1.78 -0.11 0.99 2.96 -1.26 -0.13 118.68 122.91 2ntl s LEU 132 Ca 0.00 -0.04 -0.06 0.00 -0.22 0.00 0.00 54.13 53.81 2ntl s LEU 132 Cb 0.00 -0.16 0.04 0.00 0.50 0.00 0.00 46.19 46.58 2ntl s LEU 132 CO 0.00 -0.00 0.26 -0.32 -1.32 0.00 0.00 176.35 174.97 2ntl s MET 133 N 0.23 0.24 -0.03 1.98 -2.45 0.42 -5.01 119.30 114.68 2ntl s MET 133 Ca -0.02 0.53 -0.01 0.00 -1.25 0.00 0.00 55.69 54.93 2ntl s MET 133 Cb -0.04 -0.07 0.03 0.00 1.25 0.00 0.00 34.83 36.00 2ntl s MET 133 CO -0.01 -0.14 0.05 0.08 1.05 0.00 0.00 175.02 176.05 2ntl s VAL 134 N 1.08 -0.08 0.03 10.11 1.01 -1.26 0.37 120.40 131.66 2ntl s VAL 134 Ca -0.08 0.34 -0.05 0.00 0.00 0.00 0.00 61.98 62.19 2ntl s VAL 134 Cb -0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 2ntl s VAL 134 CO -0.07 0.14 0.08 -0.94 0.00 0.00 0.00 175.10 174.31 2ntl s SER 135 N 1.69 0.18 0.19 3.32 1.04 0.51 -4.98 113.70 115.65 2ntl s SER 135 Ca -0.01 -0.51 -0.31 0.00 0.48 0.00 0.00 55.95 55.59 2ntl s SER 135 Cb -0.12 0.21 -0.10 0.00 0.10 0.00 0.00 66.02 66.11 2ntl s SER 135 CO -0.03 -0.48 1.52 -0.60 0.98 0.00 0.00 173.24 174.63 2ntl s ARG 136 N -2.42 4.24 -0.10 4.02 3.52 -1.26 -1.32 118.95 125.62 2ntl s ARG 136 Ca -0.07 2.32 -0.30 0.00 -0.13 0.00 0.00 55.73 57.56 2ntl s ARG 136 Cb -0.02 -3.15 -0.02 0.00 -1.56 0.00 0.00 34.95 30.20 2ntl s ARG 136 CO -0.04 -0.54 1.06 0.08 -0.81 0.00 0.00 175.30 175.05 2ntl s VAL 137 N 0.80 4.64 0.24 7.11 1.01 0.44 -4.89 120.40 129.75 2ntl s VAL 137 Ca 0.66 1.92 -0.31 0.00 0.00 0.00 0.00 61.98 64.26 2ntl s VAL 137 Cb -0.43 -4.24 -0.11 0.00 0.00 0.00 0.00 36.38 31.60 2ntl s VAL 137 CO 0.35 -0.01 1.62 -2.16 0.00 0.00 0.00 175.10 174.89 2ntl s PRO 138 N 2.18 4.15 0.47 2.72 0.04 -1.26 -4.68 135.00 138.62 2ntl s PRO 138 Ca 0.50 2.53 0.22 0.00 0.04 0.00 0.00 61.00 64.29 2ntl s PRO 138 Cb -0.20 -3.07 1.17 0.00 0.04 0.00 0.00 34.50 32.44 2ntl s PRO 138 CO 0.18 -0.64 1.98 0.93 0.04 0.00 0.00 177.00 179.48 2ntl h GLU 139 N 5.76 0.00 0.00 4.56 4.39 -1.97 -2.60 114.58 124.72 2ntl h GLU 139 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 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 0.86 0.20 0.00 1.05 -1.16 0.00 0.00 179.01 179.96 2ntl h GLU 140 N 0.00 0.00 -1.61 2.33 4.11 -1.95 -3.45 114.58 114.01 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 0.45 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.44 2ntl h GLU 140 CO 0.03 0.00 0.46 -0.08 0.07 0.00 0.00 179.01 179.48 2ntl s THR 141 N -3.72 0.00 0.59 -1.06 -1.32 -0.98 -5.10 115.64 104.06 2ntl s THR 141 Ca -0.01 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.30 2ntl s THR 141 Cb 0.09 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.05 2ntl s THR 141 CO 0.38 0.00 1.11 -2.84 -2.21 0.00 0.00 174.62 171.06 2ntl s PRO 142 N -0.06 3.13 0.24 7.08 0.02 -1.26 -4.40 135.00 139.76 2ntl s PRO 142 Ca 0.02 1.48 0.02 0.00 0.02 0.00 0.00 61.00 62.54 2ntl s PRO 142 Cb -0.04 -1.99 -0.05 0.00 0.02 0.00 0.00 34.50 32.44 2ntl s PRO 142 CO -0.04 -1.00 0.05 0.14 -0.33 0.00 0.00 177.00 175.81 2ntl s VAL 143 N -2.07 0.74 0.11 3.83 -7.23 -0.54 -1.66 120.40 113.58 2ntl s VAL 143 Ca 0.69 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.78 2ntl s VAL 143 Cb -0.22 -2.47 -0.01 0.00 0.56 0.00 0.00 36.38 34.24 2ntl s VAL 143 CO 0.34 -0.18 0.19 -0.72 -0.31 0.00 0.00 175.10 174.42 2ntl s TYR 144 N -3.62 0.28 0.07 2.82 -0.85 -0.48 -0.95 117.35 114.61 2ntl s TYR 144 Ca 0.33 -0.70 -0.17 0.00 -0.52 0.00 0.00 57.07 56.01 2ntl s TYR 144 Cb 0.07 -0.11 0.03 0.00 0.38 0.00 0.00 41.96 42.34 2ntl s TYR 144 CO 0.11 -0.57 0.39 -1.50 -1.52 0.00 0.00 175.55 172.45 2ntl s ILE 145 N -3.90 0.06 0.26 -3.49 2.07 0.02 -1.26 121.20 114.97 2ntl s ILE 145 Ca 0.09 -0.53 0.01 0.00 -1.41 0.00 0.00 60.65 58.82 2ntl s ILE 145 Cb 0.05 -1.02 -0.05 0.00 0.13 0.00 0.00 42.46 41.58 2ntl s ILE 145 CO -0.08 -0.29 0.11 -0.94 -1.91 0.00 0.00 174.94 171.84 2ntl s SER 146 N -2.24 1.11 0.35 4.50 1.04 0.32 -1.55 113.70 117.23 2ntl s SER 146 Ca -0.03 -1.42 0.19 0.00 0.48 0.00 0.00 55.95 55.17 2ntl s SER 146 Cb 0.00 0.24 0.18 0.00 0.10 0.00 0.00 66.02 66.55 2ntl s SER 146 CO -0.05 -0.78 1.50 0.71 0.98 0.00 0.00 173.24 175.60 2ntl h THR 147 N 2.38 0.46 -4.19 2.02 1.35 -1.24 -3.35 112.91 110.35 2ntl h THR 147 Ca -0.37 -1.65 -0.49 0.00 -0.55 0.00 0.00 66.41 63.35 2ntl h THR 147 Cb 1.25 2.22 -0.29 0.00 -1.73 0.00 0.00 68.15 69.59 2ntl h THR 147 CO 0.58 0.26 -0.81 -0.31 -0.25 0.00 0.00 175.52 174.99 2ntl s TYR 148 N -3.08 1.29 0.00 4.73 4.12 -0.50 -4.44 117.35 119.47 2ntl s TYR 148 Ca 0.05 -0.25 0.00 0.00 0.02 0.00 0.00 57.07 56.89 2ntl s TYR 148 Cb 0.06 -0.84 0.00 0.00 -1.52 0.00 0.00 41.96 39.67 2ntl s TYR 148 CO 0.71 -0.03 0.00 0.39 0.02 0.00 0.00 175.55 176.64 2ntl n GLU 149 N 2.77 0.00 -1.53 -0.62 -0.58 -1.26 -4.36 120.64 115.06 2ntl n GLU 149 Ca -0.15 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.19 2ntl n GLU 149 Cb 0.55 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.40 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 3.41 -0.63 3.49 -0.06 -1.26 -4.70 117.38 117.63 2ntl n GLN 150 Ca 0.00 -2.44 -0.12 0.00 -2.00 0.00 0.00 57.00 52.45 2ntl n GLN 150 Cb 0.00 -2.99 0.06 0.00 -4.06 0.00 0.00 30.24 23.25 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 4.09 2.18 -3.60 1.69 -2.24 -1.26 -0.52 114.28 114.63 2ntl n THR 151 Ca 0.67 -1.05 -0.16 0.00 -2.27 0.00 0.00 64.05 61.24 2ntl n THR 151 Cb 0.30 -0.98 -0.07 0.00 -2.10 0.00 0.00 70.33 67.47 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 -1.45 0.92 0.30 -0.78 -1.05 -1.26 -4.98 118.70 110.40 2ntl s GLU 152 Ca 0.25 0.19 -0.28 0.00 -0.15 0.00 0.00 54.97 54.97 2ntl s GLU 152 Cb 0.20 0.43 -0.14 0.00 -0.44 0.00 0.00 34.13 34.19 2ntl s GLU 152 CO 0.03 -0.27 1.11 -2.30 0.95 0.00 0.00 175.26 174.78 2ntl n PRO 153 N 1.18 1.60 -4.15 -4.83 -0.02 -1.26 -4.71 135.00 122.81 2ntl n PRO 153 Ca -0.19 0.56 -0.20 0.00 -2.02 0.00 0.00 63.50 61.65 2ntl n PRO 153 Cb 0.57 -2.01 -0.16 0.00 -0.02 0.00 0.00 33.50 31.87 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 -1.01 0.71 0.56 3.55 0.00 -0.39 -4.94 121.76 120.25 2ntl s ALA 154 Ca 0.58 -0.08 -0.21 0.00 0.00 0.00 0.00 51.96 52.25 2ntl s ALA 154 Cb -0.66 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 2ntl s ALA 154 CO 0.60 -0.04 1.29 0.00 0.00 0.00 0.00 175.76 177.61 2ntl s ALA 155 N 0.98 2.70 -0.20 0.00 0.00 -1.26 -1.38 121.76 122.60 2ntl s ALA 155 Ca -0.10 1.20 -0.17 0.00 0.00 0.00 0.00 51.96 52.89 2ntl s ALA 155 Cb -0.14 -3.52 0.05 0.00 0.00 0.00 0.00 23.12 19.51 2ntl s ALA 155 CO -0.00 -1.29 0.52 -0.08 0.00 0.00 0.00 175.76 174.90 2ntl s THR 156 N -1.40 -0.00 -0.77 0.00 -1.32 -0.66 -4.86 115.64 106.62 2ntl s THR 156 Ca 0.74 0.01 -0.23 0.00 -1.21 0.00 0.00 61.69 61.00 2ntl s THR 156 Cb -0.37 -0.73 0.07 0.00 -1.51 0.00 0.00 72.50 69.97 2ntl s THR 156 CO 0.42 0.00 1.12 -0.70 -2.21 0.00 0.00 174.62 173.25 2ntl s GLU 157 N 0.41 3.28 -0.70 7.08 2.12 -1.26 -4.00 118.70 125.62 2ntl s GLU 157 Ca -0.01 -0.91 -0.17 0.00 0.36 0.00 0.00 54.97 54.23 2ntl s GLU 157 Cb -0.04 -4.49 0.14 0.00 0.26 0.00 0.00 34.13 30.01 2ntl s GLU 157 CO -0.01 -1.93 0.76 0.12 -0.54 0.00 0.00 175.26 173.66 2ntl s PHE 158 N 4.28 3.26 -0.18 5.30 5.36 -1.26 -5.00 117.98 129.75 2ntl s PHE 158 Ca 0.30 -1.35 -0.19 0.00 -0.96 0.00 0.00 56.93 54.73 2ntl s PHE 158 Cb -0.11 -3.97 -0.03 0.00 -0.34 0.00 0.00 43.02 38.57 2ntl s PHE 158 CO 0.05 -1.20 0.54 -1.59 -1.46 0.00 0.00 175.22 171.56 2ntl s LYS 159 N 1.86 4.23 -0.27 10.12 -2.85 -1.26 -4.84 119.74 126.72 2ntl s LYS 159 Ca 0.15 0.49 -0.26 0.00 -1.00 0.00 0.00 55.97 55.34 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 1.24 0.00 0.10 0.00 0.00 175.35 176.57 2ntl s ALA 160 N 1.49 -2.09 0.00 0.59 0.00 -1.26 -4.79 121.76 115.70 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 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.48 2ntl s ALA 160 CO 0.10 -0.19 0.80 0.41 0.00 0.00 0.00 175.76 176.88 2ntl n GLY 161 N 1.50 1.25 3.51 0.00 0.00 -1.26 -4.64 105.19 105.54 2ntl n GLY 161 Ca -0.09 0.00 -0.11 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 -0.61 -0.45 0.32 1.61 1.04 -1.26 -4.95 113.70 109.40 2ntl s SER 162 Ca 0.00 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.24 2ntl s SER 162 Cb 0.00 0.61 0.55 0.00 0.10 0.00 0.00 66.02 67.28 2ntl s SER 162 CO 0.00 -1.04 1.96 1.55 0.98 0.00 0.00 173.24 176.69 2ntl h PRO 163 N 2.05 0.96 -0.18 4.02 0.13 -1.88 0.71 132.00 137.80 2ntl h PRO 163 Ca -0.31 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2ntl h PRO 163 Cb 1.29 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2ntl h PRO 163 CO 0.36 0.63 0.10 0.93 -0.23 0.00 0.00 178.00 179.79 2ntl h GLU 164 N 0.99 0.26 -0.52 0.86 3.07 -1.89 0.45 114.58 117.78 2ntl h GLU 164 Ca 0.31 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 59.09 2ntl h GLU 164 Cb 0.01 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 2ntl h GLU 164 CO -0.09 0.26 0.13 0.93 -1.40 0.00 0.00 179.01 178.85 2ntl h GLU 165 N 0.19 0.83 -0.37 2.33 5.08 -1.83 -1.07 114.58 119.74 2ntl h GLU 165 Ca 0.06 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2ntl h GLU 165 Cb 0.08 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2ntl h GLU 165 CO -0.01 0.79 0.21 0.00 -1.00 0.00 0.00 179.01 179.00 2ntl h ALA 166 N 1.01 0.46 -0.61 3.43 0.00 -0.64 0.88 119.26 123.79 2ntl h ALA 166 Ca 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2ntl h ALA 166 Cb 0.32 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2ntl h ALA 166 CO 0.00 -0.14 0.21 0.00 0.00 0.00 0.00 179.25 179.33 2ntl h ALA 167 N 1.16 0.80 -0.70 0.00 0.00 -0.73 -2.56 119.26 117.23 2ntl h ALA 167 Ca 0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 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 0.44 0.27 1.49 0.00 0.00 0.00 179.25 181.38 2ntl h GLU 168 N 0.86 1.06 -0.41 0.00 4.57 -0.84 -2.72 114.58 117.10 2ntl h GLU 168 Ca 0.20 -0.20 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 2ntl h GLU 168 Cb 0.26 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 2ntl h GLU 168 CO -0.01 0.88 0.12 0.35 -1.18 0.00 0.00 179.01 179.17 2ntl h PHE 169 N 1.01 0.68 0.00 0.92 3.57 -0.57 0.71 116.94 123.25 2ntl h PHE 169 Ca 0.23 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2ntl h PHE 169 Cb 0.23 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.78 2ntl h PHE 169 CO 0.02 0.64 0.00 0.97 -2.23 0.00 0.00 178.31 177.70 2ntl h ILE 170 N 0.53 0.00 0.15 1.41 2.10 -1.44 0.31 117.51 120.56 2ntl h ILE 170 Ca 0.13 -0.42 -0.34 0.00 1.08 0.00 0.00 64.86 65.31 2ntl h ILE 170 Cb 0.29 1.30 -0.00 0.00 -1.09 0.00 0.00 36.82 37.32 2ntl h ILE 170 CO -0.00 0.00 -1.77 0.25 -1.08 0.00 0.00 178.15 175.55 2ntl h LEU 171 N 0.00 0.51 0.00 2.19 5.85 -1.10 -3.45 115.31 119.31 2ntl h LEU 171 Ca 0.00 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 57.80 2ntl h LEU 171 Cb 0.52 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2ntl h LEU 171 CO 0.00 1.78 -0.13 0.29 -0.34 0.00 0.00 178.44 180.04 2ntl n LYS 172 N -3.63 4.15 -1.15 1.25 5.02 0.20 -4.71 118.16 119.29 2ntl n LYS 172 Ca -0.27 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.73 2ntl n LYS 172 Cb 1.03 -0.47 0.19 0.00 -0.02 0.00 0.00 35.03 35.77 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 -0.29 1.57 0.00 0.72 0.00 0.11 -3.57 107.32 105.85 2ntl s GLY 173 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.18 2ntl s GLY 173 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.86 2ntl n GLY 174 N -1.08 0.06 0.36 0.20 0.00 -1.26 -1.18 105.19 102.29 2ntl n GLY 174 Ca 0.07 -0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.66 114.58 121.69 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 -0.11 2.06 -1.00 -1.48 -2.68 116.94 113.73 2ntl h PHE 176 Ca 0.16 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.91 2ntl h PHE 176 Cb 0.80 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.35 2ntl h PHE 176 CO 0.00 0.00 -0.10 0.00 -1.61 0.00 0.00 178.31 176.60 2ntl h ALA 177 N 2.01 1.63 0.00 2.45 0.00 -0.14 -2.54 119.26 122.67 2ntl h ALA 177 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2ntl h ALA 177 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2ntl h ALA 177 CO 0.00 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.52 2ntl h ALA 178 N 1.74 1.00 -2.17 0.00 0.00 -1.67 -3.44 119.26 114.72 2ntl h ALA 178 Ca 0.04 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.37 2ntl h ALA 178 Cb 0.29 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 2ntl h ALA 178 CO 0.02 0.00 0.68 -0.06 0.00 0.00 0.00 179.25 179.88 2ntl s PHE 179 N -3.29 3.40 0.74 0.00 0.08 -0.96 -4.88 117.98 113.07 2ntl s PHE 179 Ca 0.06 1.47 -0.11 0.00 0.12 0.00 0.00 56.93 58.48 2ntl s PHE 179 Cb 0.09 -3.21 0.03 0.00 -0.57 0.00 0.00 43.02 39.36 2ntl s PHE 179 CO 0.57 -0.38 1.08 0.95 -0.10 0.00 0.00 175.22 177.34 2ntl s THR 180 N 2.73 3.64 -1.11 0.64 -4.23 -0.30 -4.47 115.64 112.52 2ntl s THR 180 Ca 0.44 0.54 -0.03 0.00 -1.18 0.00 0.00 61.69 61.46 2ntl s THR 180 Cb -0.16 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.55 2ntl s THR 180 CO 0.10 -0.69 0.94 1.41 -0.54 0.00 0.00 174.62 175.84 2ntl n HIS 181 N -3.33 -2.15 -2.13 3.99 8.25 -1.26 -4.67 115.22 113.91 2ntl n HIS 181 Ca 0.08 0.86 -0.38 0.00 -0.26 0.00 0.00 57.72 58.02 2ntl n HIS 181 Cb 0.53 -4.69 -0.00 0.00 1.12 0.00 0.00 29.99 26.95 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 -5.52 3.72 0.04 -0.41 0.02 -1.26 -2.17 135.00 129.42 2ntl s PRO 182 Ca 0.17 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.14 2ntl s PRO 182 Cb -0.08 -2.48 0.00 0.00 0.02 0.00 0.00 34.50 31.96 2ntl s PRO 182 CO 0.65 -0.63 0.00 0.28 -0.33 0.00 0.00 177.00 176.97 2ntl n VAL 183 N -0.39 0.15 -3.49 3.83 0.31 -0.55 -4.87 118.33 113.32 2ntl n VAL 183 Ca 0.07 0.05 -0.11 0.00 -0.01 0.00 0.00 64.34 64.34 2ntl n VAL 183 Cb 0.46 -1.06 -0.02 0.00 -0.91 0.00 0.00 33.84 32.31 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 0.18 2.52 -1.32 -1.19 -4.11 115.64 109.72 2ntl s THR 184 Ca 0.00 -0.15 -0.12 0.00 -1.21 0.00 0.00 61.69 60.21 2ntl s THR 184 Cb 0.00 -1.16 0.00 0.00 -1.51 0.00 0.00 72.50 69.83 2ntl s THR 184 CO 0.00 0.00 0.37 0.00 -2.21 0.00 0.00 174.62 172.78 2ntl s ALA 185 N -3.72 -0.29 0.17 11.08 0.00 -0.74 -0.25 121.76 128.02 2ntl s ALA 185 Ca 0.03 -0.70 -0.17 0.00 0.00 0.00 0.00 51.96 51.12 2ntl s ALA 185 Cb -0.02 0.88 0.03 0.00 0.00 0.00 0.00 23.12 24.02 2ntl s ALA 185 CO -0.10 -0.72 0.47 0.00 0.00 0.00 0.00 175.76 175.42 2ntl s ALA 186 N -3.95 -0.89 0.21 0.00 0.00 0.13 -1.64 121.76 115.62 2ntl s ALA 186 Ca 0.16 -0.19 -0.21 0.00 0.00 0.00 0.00 51.96 51.71 2ntl s ALA 186 Cb 0.02 0.81 0.04 0.00 0.00 0.00 0.00 23.12 23.99 2ntl s ALA 186 CO 0.00 -0.74 0.63 0.00 0.00 0.00 0.00 175.76 175.65 2ntl s ALA 187 N -3.86 -1.35 -0.05 0.00 0.00 -0.29 -0.63 121.76 115.58 2ntl s ALA 187 Ca 0.08 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.13 2ntl s ALA 187 Cb 0.00 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.01 2ntl s ALA 187 CO -0.06 -0.87 -0.05 0.00 0.00 0.00 0.00 175.76 174.78 2ntl s ALA 188 N -3.83 0.79 0.09 0.00 0.00 -0.23 -2.12 121.76 116.45 2ntl s ALA 188 Ca 0.06 -0.14 0.08 0.00 0.00 0.00 0.00 51.96 51.96 2ntl s ALA 188 Cb -0.03 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 2ntl s ALA 188 CO -0.04 -0.08 -0.21 0.12 0.00 0.00 0.00 175.76 175.55 2ntl s PHE 189 N 1.05 1.83 -0.24 0.00 5.36 -0.25 -2.00 117.98 123.74 2ntl s PHE 189 Ca -0.09 -0.40 -0.04 0.00 -0.96 0.00 0.00 56.93 55.44 2ntl s PHE 189 Cb -0.14 -1.02 0.08 0.00 -0.34 0.00 0.00 43.02 41.59 2ntl s PHE 189 CO -0.01 0.18 0.10 1.21 -1.46 0.00 0.00 175.22 175.25 2ntl s ASN 190 N -1.72 3.07 0.00 6.13 3.84 -0.16 -0.80 114.94 125.30 2ntl s ASN 190 Ca 0.07 -1.01 0.20 0.00 0.21 0.00 0.00 52.86 52.32 2ntl s ASN 190 Cb -0.10 -0.39 0.81 0.00 -0.55 0.00 0.00 41.25 41.02 2ntl s ASN 190 CO 0.04 -0.39 1.57 -0.90 -2.79 0.00 0.00 177.10 174.63 2ntl n ASP 191 N 5.20 1.22 0.00 -4.21 5.68 -1.26 -1.24 116.55 121.93 2ntl n ASP 191 Ca -0.06 -1.65 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 2ntl n ASP 191 Cb 0.45 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 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 1.03 2.03 1.10 6.12 0.00 -1.26 -4.89 105.19 109.32 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 0.00 3.05 0.00 1.61 1.02 -1.26 -5.06 120.64 120.00 2ntl n GLU 193 Ca 0.00 -2.51 0.00 0.00 -0.02 0.00 0.00 57.16 54.63 2ntl n GLU 193 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 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 0.90 3.02 3.72 0.62 0.00 -1.26 -5.05 105.19 107.13 2ntl n GLY 194 Ca 0.20 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.40 3.71 0.06 1.61 0.52 -1.26 -4.16 118.94 117.02 2ntl s TRP 195 Ca 0.00 1.70 0.08 0.00 0.02 0.00 0.00 56.10 57.90 2ntl s TRP 195 Cb 0.00 -3.06 -0.03 0.00 -1.15 0.00 0.00 33.47 29.23 2ntl s TRP 195 CO 0.00 0.09 -0.22 -0.80 0.02 0.00 0.00 176.95 176.04 2ntl s ASN 196 N 0.59 2.64 0.27 2.95 0.01 0.02 -4.93 114.94 116.50 2ntl s ASN 196 Ca 0.49 -0.57 0.08 0.00 -0.71 0.00 0.00 52.86 52.15 2ntl s ASN 196 Cb -0.22 -0.21 -0.04 0.00 0.41 0.00 0.00 41.25 41.20 2ntl s ASN 196 CO 0.28 0.16 0.10 -0.76 -1.51 0.00 0.00 177.10 175.37 2ntl s LEU 197 N -1.35 3.44 -0.06 0.60 1.43 -1.26 -1.09 118.68 120.40 2ntl s LEU 197 Ca 0.08 -0.52 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 2ntl s LEU 197 Cb -0.09 -1.97 0.11 0.00 0.03 0.00 0.00 46.19 44.27 2ntl s LEU 197 CO 0.02 -0.07 0.89 0.00 0.23 0.00 0.00 176.35 177.42 2ntl s ALA 198 N -2.27 -1.85 0.15 4.21 0.00 -0.90 -4.81 121.76 116.29 2ntl s ALA 198 Ca 0.33 1.23 0.05 0.00 0.00 0.00 0.00 51.96 53.57 2ntl s ALA 198 Cb -0.06 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 2ntl s ALA 198 CO 0.22 -0.52 -0.10 0.95 0.00 0.00 0.00 175.76 176.31 2ntl s THR 199 N -2.23 1.19 -0.10 0.00 -4.23 -1.26 -1.14 115.64 107.88 2ntl s THR 199 Ca 0.01 -2.03 -0.05 0.00 -1.18 0.00 0.00 61.69 58.43 2ntl s THR 199 Cb -0.01 -1.82 0.04 0.00 1.34 0.00 0.00 72.50 72.06 2ntl s THR 199 CO -0.03 -0.72 0.22 -0.13 -0.54 0.00 0.00 174.62 173.42 2ntl s ARG 200 N -3.65 0.19 0.39 3.99 1.81 -0.65 -4.94 118.95 116.08 2ntl s ARG 200 Ca 0.16 0.48 0.08 0.00 -1.72 0.00 0.00 55.73 54.73 2ntl s ARG 200 Cb 0.02 -0.11 -0.00 0.00 -0.45 0.00 0.00 34.95 34.40 2ntl s ARG 200 CO 0.01 -0.15 0.48 -1.21 -0.68 0.00 0.00 175.30 173.75 2ntl s GLU 201 N 1.16 2.82 0.00 3.54 0.41 -1.26 -1.78 118.70 123.58 2ntl s GLU 201 Ca -0.09 -1.26 0.17 0.00 -0.41 0.00 0.00 54.97 53.38 2ntl s GLU 201 Cb -0.10 -2.67 0.99 0.00 -1.78 0.00 0.00 34.13 30.57 2ntl s GLU 201 CO -0.07 -0.15 1.40 -1.33 -0.49 0.00 0.00 175.26 174.61