#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnc n HIS 46 N 2.76 0.87 0.08 0.00 -0.00 -1.26 -5.07 115.22 112.60 2jnc n HIS 46 Ca -0.08 -2.01 0.00 0.00 0.46 0.00 0.00 57.72 56.10 2jnc n HIS 46 Cb 0.51 -0.27 0.00 0.00 -0.12 0.00 0.00 29.99 30.11 2jnc n HIS 46 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2jnc n ARG 47 N -1.04 0.00 -4.31 1.57 5.12 -1.26 -4.90 116.66 111.84 2jnc n ARG 47 Ca -0.16 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.39 2jnc n ARG 47 Cb 0.52 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.77 2jnc n ARG 47 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 2jnc n THR 48 N -2.84 -0.93 -3.83 0.55 5.66 -1.26 -4.94 114.28 106.69 2jnc n THR 48 Ca 0.00 -0.11 -0.17 0.00 -3.05 0.00 0.00 64.05 60.72 2jnc n THR 48 Cb 0.00 -1.35 -0.00 0.00 -1.55 0.00 0.00 70.33 67.42 2jnc n THR 48 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2jnc n THR 49 N -4.31 0.00 -1.60 1.09 5.66 -1.26 -5.01 114.28 108.85 2jnc n THR 49 Ca 0.01 -1.42 0.14 0.00 -3.05 0.00 0.00 64.05 59.72 2jnc n THR 49 Cb 0.52 -0.14 -0.03 0.00 -1.55 0.00 0.00 70.33 69.13 2jnc n THR 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jnc n ILE 50 N -1.27 0.00 -2.19 1.09 0.13 -1.26 -4.38 119.36 111.48 2jnc n ILE 50 Ca -0.03 0.00 -0.36 0.00 -1.10 0.00 0.00 62.75 61.27 2jnc n ILE 50 Cb 0.40 -0.34 -0.04 0.00 -0.84 0.00 0.00 39.64 38.83 2jnc n ILE 50 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 2jnc s GLY 51 N -5.83 0.43 0.15 4.50 0.00 -1.26 -4.73 107.32 100.58 2jnc s GLY 51 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.51 2jnc s GLY 51 CO 0.00 3.23 0.00 -2.01 0.00 0.00 0.00 173.10 174.32 2jnc n ASN 52 N 12.11 -2.04 -4.68 1.64 2.85 -1.26 -3.82 115.26 120.07 2jnc n ASN 52 Ca 0.25 0.41 -0.47 0.00 -0.11 0.00 0.00 54.58 54.66 2jnc n ASN 52 Cb 0.50 -0.95 -0.04 0.00 1.24 0.00 0.00 39.78 40.52 2jnc n ASN 52 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 2jnc n PHE 53 N -2.25 2.35 -3.92 1.20 -0.00 -1.26 -1.80 117.46 111.78 2jnc n PHE 53 Ca -0.01 0.04 -0.26 0.00 -0.00 0.00 0.00 57.45 57.22 2jnc n PHE 53 Cb 0.15 -2.64 -0.01 0.00 -0.00 0.00 0.00 39.48 36.98 2jnc n PHE 53 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 2jnc n SER 54 N 5.64 -1.09 0.04 -2.13 3.41 -1.26 -4.93 113.62 113.30 2jnc n SER 54 Ca 0.20 -0.95 -0.02 0.00 -0.26 0.00 0.00 58.87 57.85 2jnc n SER 54 Cb 0.30 -3.32 -0.01 0.00 -0.26 0.00 0.00 64.21 60.92 2jnc n SER 54 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2jnc h GLY 55 N -1.83 -0.37 -0.39 5.00 0.00 -1.45 -3.46 103.07 100.57 2jnc h GLY 55 Ca -0.62 0.16 -0.14 0.00 0.00 0.00 0.00 47.33 46.72 2jnc h GLY 55 CO 0.63 -0.14 0.05 -1.55 0.00 0.00 0.00 176.54 175.54 2jnc n PRO 56 N -2.39 0.24 0.00 4.80 -0.04 -1.26 -5.05 135.00 131.30 2jnc n PRO 56 Ca -0.01 -0.81 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 2jnc n PRO 56 Cb 0.04 -0.25 0.00 0.00 -0.04 0.00 0.00 33.50 33.25 2jnc n PRO 56 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2jnc n TYR 57 N -1.98 0.00 -2.68 0.54 4.19 -1.26 -4.96 117.16 111.01 2jnc n TYR 57 Ca 0.05 -0.01 -0.42 0.00 3.31 0.00 0.00 57.90 60.83 2jnc n TYR 57 Cb 0.18 -0.00 -0.03 0.00 0.49 0.00 0.00 39.34 39.99 2jnc n TYR 57 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 2jnc s THR 58 N -0.03 4.22 -0.51 2.97 2.01 -1.26 -4.87 115.64 118.17 2jnc s THR 58 Ca 0.00 -1.16 0.00 0.00 0.31 0.00 0.00 61.69 60.84 2jnc s THR 58 Cb 0.00 -4.98 0.00 0.00 0.01 0.00 0.00 72.50 67.53 2jnc s THR 58 CO 0.00 -1.81 0.00 0.00 -0.69 0.00 0.00 174.62 172.12 2jnc n TYR 59 N 8.04 0.00 -1.11 4.92 0.18 -1.26 -4.76 117.16 123.16 2jnc n TYR 59 Ca 0.32 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.80 2jnc n TYR 59 Cb 0.50 0.00 0.24 0.00 -0.38 0.00 0.00 39.34 39.70 2jnc n TYR 59 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2jnc n ASN 61 N -4.73 3.79 -0.91 0.00 5.15 -1.08 -4.46 115.26 113.03 2jnc n ASN 61 Ca 0.13 -3.50 0.00 0.00 -0.60 0.00 0.00 54.58 50.62 2jnc n ASN 61 Cb 0.59 -0.82 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 2jnc n ASN 61 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 2jnc n THR 62 N -0.99 -0.31 -3.86 -0.44 -1.04 -1.15 -4.94 114.28 101.56 2jnc n THR 62 Ca 0.55 0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.64 2jnc n THR 62 Cb 1.60 -0.46 0.00 0.00 -1.82 0.00 0.00 70.33 69.65 2jnc n THR 62 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 2jnc n THR 63 N 0.63 0.00 -3.88 12.58 5.66 0.48 -4.84 114.28 124.91 2jnc n THR 63 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 2jnc n THR 63 Cb 0.08 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.73 2jnc n THR 63 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2jnc s LEU 64 N 0.00 1.90 0.00 1.09 0.20 -1.26 0.23 118.68 120.84 2jnc s LEU 64 Ca 0.00 -0.02 0.00 0.00 0.69 0.00 0.00 54.13 54.80 2jnc s LEU 64 Cb 0.00 0.15 0.00 0.00 -0.43 0.00 0.00 46.19 45.92 2jnc s LEU 64 CO 0.00 -0.07 0.04 -0.67 -0.29 0.00 0.00 176.35 175.36 2jnc n ASP 65 N 2.77 0.62 -0.26 3.68 2.03 -1.14 -4.99 116.55 119.24 2jnc n ASP 65 Ca -0.14 -1.11 -0.04 0.00 0.52 0.00 0.00 54.79 54.01 2jnc n ASP 65 Cb 0.59 -0.02 0.02 0.00 -0.72 0.00 0.00 41.12 40.99 2jnc n ASP 65 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2jnc h GLN 66 N 0.00 -0.11 -7.17 -0.67 4.20 -2.00 -3.41 115.11 105.95 2jnc h GLN 66 Ca -0.02 0.01 -0.48 0.00 0.06 0.00 0.00 58.65 58.22 2jnc h GLN 66 Cb 0.08 0.02 0.04 0.00 0.30 0.00 0.00 27.48 27.93 2jnc h GLN 66 CO 0.03 -0.07 0.38 0.96 -0.67 0.00 0.00 178.83 179.46 2jnc s ILE 67 N -5.97 4.08 -0.38 2.54 -4.36 -1.26 -4.88 121.20 110.97 2jnc s ILE 67 Ca -0.14 1.05 -0.13 0.00 -0.26 0.00 0.00 60.65 61.16 2jnc s ILE 67 Cb 0.17 -3.52 -0.13 0.00 1.25 0.00 0.00 42.46 40.23 2jnc s ILE 67 CO 0.70 -0.52 1.60 0.61 0.24 0.00 0.00 174.94 177.56 2jnc n GLY 68 N -1.06 1.93 2.95 6.27 0.00 -1.26 -4.78 105.19 109.24 2jnc n GLY 68 Ca 0.08 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 2jnc n GLY 68 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jnc s THR 69 N 5.08 0.77 -0.14 2.61 -1.32 -1.26 -5.08 115.64 116.30 2jnc s THR 69 Ca 0.37 -0.27 -0.12 0.00 -1.21 0.00 0.00 61.69 60.47 2jnc s THR 69 Cb 0.09 -0.74 -0.05 0.00 -1.51 0.00 0.00 72.50 70.29 2jnc s THR 69 CO 0.10 0.27 0.24 0.00 -2.21 0.00 0.00 174.62 173.02 2jnc n TRP 71 N 2.95 3.68 -1.15 0.00 7.02 0.64 -4.96 117.44 125.63 2jnc n TRP 71 Ca -0.15 -4.21 -0.30 0.00 -1.02 0.00 0.00 57.50 51.82 2jnc n TRP 71 Cb 0.53 -0.85 0.25 0.00 -2.42 0.00 0.00 31.31 28.82 2jnc n TRP 71 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 2jnc n PRO 72 N 2.02 -2.96 -1.56 -0.99 -0.04 -1.26 -0.38 135.00 129.83 2jnc n PRO 72 Ca 0.21 -1.79 -0.46 0.00 -0.04 0.00 0.00 63.50 61.42 2jnc n PRO 72 Cb 0.36 -1.61 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 2jnc n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jnc n GLN 73 N -4.75 1.72 0.00 0.54 10.64 -1.26 -4.32 117.38 119.95 2jnc n GLN 73 Ca 0.15 0.50 0.00 0.00 -1.83 0.00 0.00 57.00 55.83 2jnc n GLN 73 Cb 0.59 -2.88 0.00 0.00 -0.86 0.00 0.00 30.24 27.09 2jnc n GLN 73 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2jnc n SER 74 N 10.23 0.00 0.00 2.61 2.88 -1.26 -4.70 113.62 123.37 2jnc n SER 74 Ca 0.33 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 2jnc n SER 74 Cb 0.35 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 2jnc n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jnc n ALA 75 N -1.94 0.00 -2.16 -1.46 0.00 -1.26 -4.73 120.51 108.96 2jnc n ALA 75 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2jnc n ALA 75 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2jnc n ALA 75 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jnc s PRO 76 N -2.00 3.38 0.00 0.00 0.04 -1.26 -4.10 135.00 131.06 2jnc s PRO 76 Ca 0.00 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.17 2jnc s PRO 76 Cb 0.00 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.40 2jnc s PRO 76 CO 0.00 -1.81 0.00 0.41 0.04 0.00 0.00 177.00 175.64 2jnc n GLY 77 N 5.30 -0.36 3.62 0.56 0.00 -0.07 -4.46 105.19 109.79 2jnc n GLY 77 Ca 0.20 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 2jnc n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jnc s ALA 78 N -1.07 -1.91 -0.23 4.61 0.00 0.55 -4.90 121.76 118.81 2jnc s ALA 78 Ca 0.00 1.86 -0.11 0.00 0.00 0.00 0.00 51.96 53.71 2jnc s ALA 78 Cb 0.00 -1.23 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 2jnc s ALA 78 CO 0.00 -0.28 0.19 -1.17 0.00 0.00 0.00 175.76 174.51 2jnc s LEU 79 N 0.08 4.13 -0.12 0.00 0.20 -1.26 0.16 118.68 121.86 2jnc s LEU 79 Ca 0.01 0.19 -0.01 0.00 0.69 0.00 0.00 54.13 55.01 2jnc s LEU 79 Cb -0.04 -2.17 -0.02 0.00 -0.43 0.00 0.00 46.19 43.53 2jnc s LEU 79 CO -0.03 0.06 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.31 2jnc s VAL 80 N 1.02 3.48 -0.13 1.68 1.01 0.36 -4.92 120.40 122.90 2jnc s VAL 80 Ca 0.09 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 2jnc s VAL 80 Cb -0.13 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 2jnc s VAL 80 CO 0.04 0.53 0.08 -0.70 0.00 0.00 0.00 175.10 175.05 2jnc s GLU 81 N 0.05 3.49 0.04 2.72 2.12 -1.25 0.13 118.70 126.00 2jnc s GLU 81 Ca -0.02 -0.27 -0.00 0.00 0.36 0.00 0.00 54.97 55.03 2jnc s GLU 81 Cb -0.14 -3.09 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 2jnc s GLU 81 CO 0.04 0.60 -0.03 1.03 -0.54 0.00 0.00 175.26 176.35 2jnc s ARG 82 N -0.54 0.47 0.06 4.30 0.52 0.55 -4.90 118.95 119.41 2jnc s ARG 82 Ca 0.11 -0.92 -0.36 0.00 -0.52 0.00 0.00 55.73 54.04 2jnc s ARG 82 Cb -0.12 0.15 -0.16 0.00 0.52 0.00 0.00 34.95 35.35 2jnc s ARG 82 CO 0.02 -0.08 1.48 -0.35 0.02 0.00 0.00 175.30 176.39 2jnc n PRO 83 N 0.84 1.49 -1.18 3.54 -0.04 -1.26 0.22 135.00 138.61 2jnc n PRO 83 Ca -0.19 0.54 -0.31 0.00 -0.04 0.00 0.00 63.50 63.50 2jnc n PRO 83 Cb 0.58 -2.23 0.11 0.00 -0.04 0.00 0.00 33.50 31.92 2jnc n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jnc n PRO 85 N -3.70 0.33 0.26 0.00 -0.04 -1.26 -4.61 135.00 125.98 2jnc n PRO 85 Ca 0.09 -1.09 0.14 0.00 -0.04 0.00 0.00 63.50 62.60 2jnc n PRO 85 Cb 0.53 -2.50 0.70 0.00 -0.04 0.00 0.00 33.50 32.19 2jnc n PRO 85 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2jnc h GLU 86 N 9.24 0.00 -1.07 0.54 4.11 -1.89 -2.90 114.58 122.61 2jnc h GLU 86 Ca 0.26 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 59.02 2jnc h GLU 86 Cb 0.58 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 29.52 2jnc h GLU 86 CO 1.87 0.11 0.68 0.98 0.07 0.00 0.00 179.01 182.72 2jnc n TYR 87 N -3.38 3.16 -4.14 2.06 9.36 -1.26 -4.01 117.16 118.95 2jnc n TYR 87 Ca -0.01 -2.88 -0.29 0.00 3.32 0.00 0.00 57.90 58.04 2jnc n TYR 87 Cb 0.29 -1.29 -0.08 0.00 -0.63 0.00 0.00 39.34 37.63 2jnc n TYR 87 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 2jnc s PHE 88 N -3.82 2.96 0.22 2.98 0.40 -1.10 -5.01 117.98 114.62 2jnc s PHE 88 Ca 0.62 -0.05 0.00 0.00 -0.60 0.00 0.00 56.93 56.90 2jnc s PHE 88 Cb 0.49 -1.51 0.00 0.00 0.51 0.00 0.00 43.02 42.52 2jnc s PHE 88 CO -0.04 0.48 0.00 0.09 0.70 0.00 0.00 175.22 176.45 2jnc n ASN 89 N 0.42 -3.36 -2.68 1.36 3.02 -1.26 -4.11 115.26 108.64 2jnc n ASN 89 Ca -0.11 0.49 -0.18 0.00 -0.03 0.00 0.00 54.58 54.76 2jnc n ASN 89 Cb 0.53 -1.93 -0.07 0.00 -0.61 0.00 0.00 39.78 37.69 2jnc n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jnc n GLY 90 N -3.12 2.92 3.63 7.41 0.00 -1.26 -4.69 105.19 110.08 2jnc n GLY 90 Ca -0.03 -0.94 -0.05 0.00 0.00 0.00 0.00 46.02 45.01 2jnc n GLY 90 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jnc s ILE 91 N 2.32 0.00 -0.30 -0.61 2.07 -1.26 -5.15 121.20 118.26 2jnc s ILE 91 Ca 0.47 -0.32 0.02 0.00 -1.41 0.00 0.00 60.65 59.42 2jnc s ILE 91 Cb 0.17 -1.56 0.15 0.00 0.13 0.00 0.00 42.46 41.36 2jnc s ILE 91 CO -0.02 0.00 0.38 -0.75 -1.91 0.00 0.00 174.94 172.64 2jnc s LYS 92 N -3.05 0.43 0.00 3.50 2.36 -1.26 -4.24 119.74 117.48 2jnc s LYS 92 Ca 0.10 -0.06 -0.00 0.00 -2.55 0.00 0.00 55.97 53.45 2jnc s LYS 92 Cb -0.00 -0.43 0.00 0.00 -1.05 0.00 0.00 37.83 36.35 2jnc s LYS 92 CO -0.03 -1.06 0.01 0.66 1.55 0.00 0.00 175.35 176.48 2jnc n TYR 93 N 5.19 -0.92 -3.47 4.03 4.01 -1.26 -5.00 117.16 119.73 2jnc n TYR 93 Ca 0.01 -0.02 -0.21 0.00 -0.16 0.00 0.00 57.90 57.53 2jnc n TYR 93 Cb 0.48 0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.53 2jnc n TYR 93 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2jnc n ASN 94 N -0.91 -5.96 -0.42 7.72 4.05 -1.26 -4.85 115.26 113.63 2jnc n ASN 94 Ca -0.00 -0.44 0.12 0.00 0.45 0.00 0.00 54.58 54.70 2jnc n ASN 94 Cb 0.01 -2.86 0.14 0.00 1.23 0.00 0.00 39.78 38.30 2jnc n ASN 94 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 2jnc n THR 95 N -1.68 0.00 -1.10 -0.44 -2.24 -1.26 -4.64 114.28 102.92 2jnc n THR 95 Ca -0.16 -0.22 -0.34 0.00 -2.27 0.00 0.00 64.05 61.07 2jnc n THR 95 Cb 0.63 0.95 -0.03 0.00 -2.10 0.00 0.00 70.33 69.78 2jnc n THR 95 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2jnc n THR 96 N -0.20 2.79 -3.56 4.28 -2.24 -1.26 -4.77 114.28 109.32 2jnc n THR 96 Ca 0.11 -1.93 -0.08 0.00 -2.27 0.00 0.00 64.05 59.87 2jnc n THR 96 Cb 0.43 -2.34 -0.03 0.00 -2.10 0.00 0.00 70.33 66.28 2jnc n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jnc s ARG 97 N 3.54 0.56 0.22 -0.78 3.03 -1.26 -5.06 118.95 119.19 2jnc s ARG 97 Ca 0.51 -0.06 0.00 0.00 2.03 0.00 0.00 55.73 58.21 2jnc s ARG 97 Cb 0.13 0.26 -0.04 0.00 -1.03 0.00 0.00 34.95 34.27 2jnc s ARG 97 CO -0.01 -0.21 0.14 -0.80 -1.13 0.00 0.00 175.30 173.29 2jnc s ASN 98 N -1.75 0.39 -0.23 -2.89 -0.87 -1.26 -2.63 114.94 105.69 2jnc s ASN 98 Ca 0.04 -1.43 -0.09 0.00 -1.57 0.00 0.00 52.86 49.81 2jnc s ASN 98 Cb -0.01 0.38 -0.04 0.00 -0.02 0.00 0.00 41.25 41.56 2jnc s ASN 98 CO -0.04 -0.86 0.11 0.00 -2.57 0.00 0.00 177.10 173.75 2jnc s ALA 99 N -4.05 3.40 -0.49 0.60 0.00 0.59 -4.54 121.76 117.28 2jnc s ALA 99 Ca 0.39 -0.95 -0.13 0.00 0.00 0.00 0.00 51.96 51.27 2jnc s ALA 99 Cb 0.07 -2.15 0.10 0.00 0.00 0.00 0.00 23.12 21.14 2jnc s ALA 99 CO 0.14 -0.22 0.40 0.71 0.00 0.00 0.00 175.76 176.78 2jnc s TYR 100 N 1.12 3.30 -0.20 0.00 1.51 -1.26 -0.33 117.35 121.50 2jnc s TYR 100 Ca 0.06 -1.36 -0.05 0.00 -1.01 0.00 0.00 57.07 54.70 2jnc s TYR 100 Cb -0.14 -3.42 -0.03 0.00 -0.11 0.00 0.00 41.96 38.26 2jnc s TYR 100 CO 0.04 -0.93 0.01 0.50 -1.11 0.00 0.00 175.55 174.07 2jnc s ARG 101 N 1.53 3.66 0.13 -0.62 3.00 0.12 -0.92 118.95 125.85 2jnc s ARG 101 Ca 0.04 -0.50 -0.08 0.00 -1.00 0.00 0.00 55.73 54.19 2jnc s ARG 101 Cb -0.26 -3.11 -0.06 0.00 0.00 0.00 0.00 34.95 31.52 2jnc s ARG 101 CO 0.03 0.03 0.42 -2.00 0.00 0.00 0.00 175.30 173.78 2jnc s GLU 102 N 0.97 3.71 -0.16 5.12 2.12 -1.26 0.13 118.70 129.34 2jnc s GLU 102 Ca 0.02 0.09 0.01 0.00 0.36 0.00 0.00 54.97 55.44 2jnc s GLU 102 Cb -0.14 -2.87 0.00 0.00 0.26 0.00 0.00 34.13 31.38 2jnc s GLU 102 CO 0.02 0.48 -0.17 0.00 -0.54 0.00 0.00 175.26 175.04 2jnc s LEU 104 N 0.92 3.81 0.66 0.00 2.01 0.25 -0.33 118.68 126.01 2jnc s LEU 104 Ca -0.04 2.12 0.31 0.00 0.01 0.00 0.00 54.13 56.53 2jnc s LEU 104 Cb -0.15 -4.53 1.68 0.00 0.01 0.00 0.00 46.19 43.20 2jnc s LEU 104 CO -0.03 -1.05 1.95 -0.33 1.01 0.00 0.00 176.35 177.90 2jnc h GLU 105 N 1.42 0.00 -0.00 1.70 3.07 -1.88 0.98 114.58 119.87 2jnc h GLU 105 Ca -0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 2jnc h GLU 105 Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 2jnc h GLU 105 CO 0.58 0.00 -0.19 -1.71 -1.40 0.00 0.00 179.01 176.29 2jnc n ASN 106 N -2.92 0.42 0.00 1.42 4.05 -1.26 -4.57 115.26 112.39 2jnc n ASN 106 Ca -0.02 -0.29 0.00 0.00 0.45 0.00 0.00 54.58 54.72 2jnc n ASN 106 Cb 0.37 -0.07 0.00 0.00 1.23 0.00 0.00 39.78 41.30 2jnc n ASN 106 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2jnc n GLY 107 N 1.38 0.48 3.85 8.20 0.00 0.34 -4.96 105.19 114.48 2jnc n GLY 107 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2jnc n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jnc s THR 108 N -2.00 4.61 -0.17 2.61 -4.23 -1.23 -2.62 115.64 112.61 2jnc s THR 108 Ca 0.00 1.03 -0.16 0.00 -1.18 0.00 0.00 61.69 61.38 2jnc s THR 108 Cb 0.00 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 2jnc s THR 108 CO 0.00 -0.61 0.38 0.26 -0.54 0.00 0.00 174.62 174.11 2jnc s TRP 109 N -2.51 3.44 0.46 3.99 0.23 -1.26 0.84 118.94 124.12 2jnc s TRP 109 Ca 0.56 0.67 -0.06 0.00 -2.03 0.00 0.00 56.10 55.25 2jnc s TRP 109 Cb -0.10 -2.47 -0.04 0.00 0.03 0.00 0.00 33.47 30.89 2jnc s TRP 109 CO 0.30 0.12 0.77 0.00 0.96 0.00 0.00 176.95 179.10 2jnc s ALA 110 N 0.85 3.41 -0.52 0.98 0.00 0.51 -4.93 121.76 122.06 2jnc s ALA 110 Ca 0.20 -0.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.68 2jnc s ALA 110 Cb -0.14 -2.59 0.39 0.00 0.00 0.00 0.00 23.12 20.78 2jnc s ALA 110 CO 0.07 -0.28 2.00 0.43 0.00 0.00 0.00 175.76 177.98 2jnc n SER 111 N -2.07 6.82 0.19 0.00 7.64 -1.26 -4.16 113.62 120.77 2jnc n SER 111 Ca 0.01 -3.50 0.14 0.00 1.01 0.00 0.00 58.87 56.53 2jnc n SER 111 Cb 0.55 -0.98 0.51 0.00 -1.01 0.00 0.00 64.21 63.28 2jnc n SER 111 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2jnc h ARG 112 N 1.69 0.00 -5.77 1.43 3.08 -1.90 -3.44 114.38 109.47 2jnc h ARG 112 Ca 0.50 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 60.02 2jnc h ARG 112 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 2jnc h ARG 112 CO 1.25 0.00 1.57 1.33 -1.07 0.00 0.00 179.97 183.05 2jnc n VAL 113 N -2.63 0.11 -0.06 2.04 0.24 -0.10 -4.57 118.33 113.37 2jnc n VAL 113 Ca 0.02 -0.60 -0.02 0.00 -2.04 0.00 0.00 64.34 61.70 2jnc n VAL 113 Cb 0.32 -2.56 -0.01 0.00 -1.47 0.00 0.00 33.84 30.12 2jnc n VAL 113 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 2jnc h ASN 114 N 17.03 0.00 -3.09 -1.34 -0.73 -1.85 -3.48 115.58 122.12 2jnc h ASN 114 Ca -0.31 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 57.76 2jnc h ASN 114 Cb 1.26 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.83 2jnc h ASN 114 CO 1.07 0.61 -0.12 0.00 -0.37 0.00 0.00 177.43 178.63 2jnc n TYR 115 N -4.62 -1.24 0.23 0.67 0.18 -1.26 -4.75 117.16 106.37 2jnc n TYR 115 Ca -0.03 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.86 2jnc n TYR 115 Cb 0.13 -1.70 0.02 0.00 -0.38 0.00 0.00 39.34 37.41 2jnc n TYR 115 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2jnc n SER 116 N -0.60 0.74 0.00 9.48 2.88 -1.26 -3.89 113.62 120.96 2jnc n SER 116 Ca -0.06 0.20 0.09 0.00 -1.33 0.00 0.00 58.87 57.78 2jnc n SER 116 Cb 0.36 0.56 0.48 0.00 -0.75 0.00 0.00 64.21 64.85 2jnc n SER 116 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2jnc n HIS 117 N -2.47 0.00 -2.53 0.66 -0.00 -1.26 -4.69 115.22 104.94 2jnc n HIS 117 Ca 0.00 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.75 2jnc n HIS 117 Cb 0.52 -0.32 -0.02 0.00 -0.12 0.00 0.00 29.99 30.04 2jnc n HIS 117 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jnc s GLU 119 N 4.59 2.22 0.00 0.00 2.02 -1.26 -5.11 118.70 121.16 2jnc s GLU 119 Ca 0.52 -1.95 0.00 0.00 0.02 0.00 0.00 54.97 53.56 2jnc s GLU 119 Cb -0.09 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.20 2jnc s GLU 119 CO 0.32 -0.24 0.00 -0.35 0.02 0.00 0.00 175.26 175.01 2jnc n PRO 120 N -1.33 1.19 0.00 0.39 -0.04 -1.26 -4.28 135.00 129.66 2jnc n PRO 120 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2jnc n PRO 120 Cb 0.65 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.11 2jnc n PRO 120 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57