#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 0.62 -0.02 -0.72 0.00 -0.00 -1.26 -4.78 115.22 109.06 2jnc n HIS 46 Ca -0.08 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.19 2jnc n HIS 46 Cb 0.52 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.35 2jnc n HIS 46 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 2jnc n ARG 47 N 0.00 -1.58 -3.06 1.57 1.85 -1.26 -4.87 116.66 109.31 2jnc n ARG 47 Ca 0.00 1.19 -0.16 0.00 -1.00 0.00 0.00 57.85 57.88 2jnc n ARG 47 Cb 0.00 -1.88 -0.01 0.00 -1.05 0.00 0.00 32.46 29.53 2jnc n ARG 47 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2jnc n THR 48 N -3.38 -0.23 -4.03 8.89 -2.24 -1.26 -4.73 114.28 107.31 2jnc n THR 48 Ca -0.02 -3.56 -0.13 0.00 -2.27 0.00 0.00 64.05 58.07 2jnc n THR 48 Cb 0.34 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.46 2jnc n THR 48 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2jnc s THR 49 N -1.34 0.00 0.02 4.28 -4.23 -1.26 -4.98 115.64 108.14 2jnc s THR 49 Ca 0.35 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 2jnc s THR 49 Cb 0.29 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.48 2jnc s THR 49 CO -0.09 0.00 0.03 0.00 -0.54 0.00 0.00 174.62 174.02 2jnc n ILE 50 N -0.55 0.00 -0.22 2.99 0.13 -1.26 -5.01 119.36 115.44 2jnc n ILE 50 Ca -0.01 -0.08 0.02 0.00 -1.10 0.00 0.00 62.75 61.57 2jnc n ILE 50 Cb 0.61 -0.87 0.10 0.00 -0.84 0.00 0.00 39.64 38.64 2jnc n ILE 50 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 2jnc h GLY 51 N 0.01 0.63 -1.87 4.50 0.00 -2.03 -3.43 103.07 100.88 2jnc h GLY 51 Ca -0.01 0.15 -0.60 0.00 0.00 0.00 0.00 47.33 46.86 2jnc h GLY 51 CO 0.02 -0.25 -0.60 0.21 0.00 0.00 0.00 176.54 175.92 2jnc s ASN 52 N -5.22 4.03 -0.05 0.19 3.84 -1.26 -5.10 114.94 111.37 2jnc s ASN 52 Ca -0.14 -1.19 -0.30 0.00 0.21 0.00 0.00 52.86 51.44 2jnc s ASN 52 Cb 0.20 -0.44 -0.04 0.00 -0.55 0.00 0.00 41.25 40.42 2jnc s ASN 52 CO 0.74 -0.37 1.39 -0.36 -2.79 0.00 0.00 177.10 175.71 2jnc s PHE 53 N -2.62 2.74 -0.15 0.43 0.08 -1.26 -4.28 117.98 112.92 2jnc s PHE 53 Ca 0.36 0.80 -0.00 0.00 0.12 0.00 0.00 56.93 58.21 2jnc s PHE 53 Cb 0.05 -3.64 0.00 0.00 -0.57 0.00 0.00 43.02 38.86 2jnc s PHE 53 CO 0.19 -2.38 0.00 0.43 -0.10 0.00 0.00 175.22 173.36 2jnc n SER 54 N 5.95 -5.02 0.00 1.36 7.64 -1.26 -5.09 113.62 117.19 2jnc n SER 54 Ca 0.14 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.74 2jnc n SER 54 Cb 0.44 -3.18 0.00 0.00 -1.01 0.00 0.00 64.21 60.46 2jnc n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jnc n GLY 55 N 0.35 0.84 3.78 0.23 0.00 -1.26 -5.12 105.19 104.01 2jnc n GLY 55 Ca 0.00 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 2jnc n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jnc s PRO 56 N 0.33 0.90 0.64 1.61 0.04 -1.26 -5.09 135.00 132.17 2jnc s PRO 56 Ca 0.00 0.20 -0.02 0.00 0.04 0.00 0.00 61.00 61.22 2jnc s PRO 56 Cb 0.00 -1.82 0.13 0.00 0.04 0.00 0.00 34.50 32.85 2jnc s PRO 56 CO 0.00 -2.34 0.87 0.98 0.04 0.00 0.00 177.00 176.55 2jnc n TYR 57 N -3.85 -3.17 -1.42 0.56 9.36 -1.26 -4.94 117.16 112.44 2jnc n TYR 57 Ca 0.08 -1.38 -0.50 0.00 3.32 0.00 0.00 57.90 59.41 2jnc n TYR 57 Cb 0.59 -0.65 -0.09 0.00 -0.63 0.00 0.00 39.34 38.57 2jnc n TYR 57 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 2jnc n THR 58 N -2.76 0.09 -4.34 2.97 -1.04 -1.26 -4.91 114.28 103.03 2jnc n THR 58 Ca 0.14 -0.21 -0.19 0.00 -2.04 0.00 0.00 64.05 61.74 2jnc n THR 58 Cb 0.49 -1.33 -0.09 0.00 -1.82 0.00 0.00 70.33 67.58 2jnc n THR 58 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2jnc s TYR 59 N 7.69 1.62 0.17 -1.42 1.51 -1.26 -4.67 117.35 120.99 2jnc s TYR 59 Ca 1.15 -1.37 -0.32 0.00 -1.01 0.00 0.00 57.07 55.52 2jnc s TYR 59 Cb -1.00 -0.87 -0.12 0.00 -0.11 0.00 0.00 41.96 39.86 2jnc s TYR 59 CO 0.51 -0.51 1.76 0.00 -1.11 0.00 0.00 175.55 176.19 2jnc s ASN 61 N 1.73 6.73 -0.69 0.00 2.47 -1.26 -1.98 114.94 121.93 2jnc s ASN 61 Ca 0.78 2.47 -0.25 0.00 0.42 0.00 0.00 52.86 56.28 2jnc s ASN 61 Cb -0.51 -2.60 -0.13 0.00 -1.45 0.00 0.00 41.25 36.57 2jnc s ASN 61 CO 0.34 -0.71 2.42 0.41 -3.72 0.00 0.00 177.10 175.85 2jnc n THR 62 N 3.65 -0.04 -4.09 -5.21 -1.04 -1.20 -4.59 114.28 101.76 2jnc n THR 62 Ca 0.11 -0.60 -0.10 0.00 -2.04 0.00 0.00 64.05 61.43 2jnc n THR 62 Cb 0.41 -2.11 -0.02 0.00 -1.82 0.00 0.00 70.33 66.80 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 8.15 0.00 -4.03 12.58 5.66 0.62 -4.80 114.28 132.46 2jnc n THR 63 Ca 0.46 -0.74 -0.17 0.00 -3.05 0.00 0.00 64.05 60.55 2jnc n THR 63 Cb 0.43 0.03 -0.15 0.00 -1.55 0.00 0.00 70.33 69.09 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 1.54 0.00 1.09 1.98 -1.26 0.12 118.68 122.15 2jnc s LEU 64 Ca 0.02 -0.06 0.00 0.00 -2.89 0.00 0.00 54.13 51.20 2jnc s LEU 64 Cb -0.00 -0.25 0.00 0.00 0.66 0.00 0.00 46.19 46.60 2jnc s LEU 64 CO 0.02 -0.03 0.00 -0.90 -1.89 0.00 0.00 176.35 173.54 2jnc n ASP 65 N 3.64 0.54 -0.19 3.68 5.75 -1.18 -5.00 116.55 123.79 2jnc n ASP 65 Ca -0.21 -0.69 -0.06 0.00 -0.01 0.00 0.00 54.79 53.83 2jnc n ASP 65 Cb 0.54 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.63 2jnc n ASP 65 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 2jnc h GLN 66 N 0.00 -0.17 -7.18 0.11 4.20 -2.01 -3.42 115.11 106.64 2jnc h GLN 66 Ca 0.00 0.01 -0.49 0.00 0.06 0.00 0.00 58.65 58.23 2jnc h GLN 66 Cb 0.00 0.04 0.05 0.00 0.30 0.00 0.00 27.48 27.87 2jnc h GLN 66 CO 0.00 -0.11 0.26 0.96 -0.67 0.00 0.00 178.83 179.26 2jnc s ILE 67 N -5.98 4.35 -0.44 2.54 -4.36 -1.26 -4.91 121.20 111.14 2jnc s ILE 67 Ca -0.14 0.39 -0.03 0.00 -0.26 0.00 0.00 60.65 60.60 2jnc s ILE 67 Cb 0.15 -3.71 -0.04 0.00 1.25 0.00 0.00 42.46 40.11 2jnc s ILE 67 CO 0.69 -0.81 1.63 0.61 0.24 0.00 0.00 174.94 177.29 2jnc n GLY 68 N -2.59 2.35 3.02 6.27 0.00 -1.26 -4.76 105.19 108.23 2jnc n GLY 68 Ca 0.04 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 2jnc n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jnc s THR 69 N 3.75 1.78 -0.21 2.61 2.01 -1.26 -5.06 115.64 119.25 2jnc s THR 69 Ca 0.23 -1.11 -0.24 0.00 0.31 0.00 0.00 61.69 60.88 2jnc s THR 69 Cb 0.07 -1.83 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 2jnc s THR 69 CO -0.02 0.18 0.79 0.00 -0.69 0.00 0.00 174.62 174.88 2jnc s TRP 71 N 2.42 3.39 0.00 0.00 0.52 0.33 -4.89 118.94 120.70 2jnc s TRP 71 Ca 0.35 -1.68 0.00 0.00 0.02 0.00 0.00 56.10 54.79 2jnc s TRP 71 Cb -0.16 -3.64 0.00 0.00 -1.15 0.00 0.00 33.47 28.52 2jnc s TRP 71 CO 0.10 -1.00 0.00 -0.35 0.02 0.00 0.00 176.95 175.72 2jnc n PRO 72 N 4.90 0.39 -1.57 4.98 -0.04 -1.26 -0.27 135.00 142.12 2jnc n PRO 72 Ca -0.08 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.97 2jnc n PRO 72 Cb 0.41 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.83 2jnc n PRO 72 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2jnc n GLN 73 N -0.81 1.56 0.00 0.54 3.00 -0.84 -4.58 117.38 116.25 2jnc n GLN 73 Ca 0.00 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 2jnc n GLN 73 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 30.24 26.99 2jnc n GLN 73 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2jnc n SER 74 N 13.07 0.00 0.00 1.08 2.88 -1.26 -4.85 113.62 124.55 2jnc n SER 74 Ca 0.34 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 2jnc n SER 74 Cb 0.46 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 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 -1.56 0.00 -1.54 -1.46 0.00 -1.26 -4.92 120.51 109.77 2jnc n ALA 75 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 2jnc n ALA 75 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2jnc n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jnc n PRO 76 N -0.09 1.43 -1.65 0.00 -0.04 -1.26 -1.55 135.00 131.84 2jnc n PRO 76 Ca 0.00 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 2jnc n PRO 76 Cb 0.00 -2.97 0.00 0.00 -0.04 0.00 0.00 33.50 30.49 2jnc n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jnc n GLY 77 N 6.09 0.84 2.94 0.55 0.00 0.19 -4.71 105.19 111.10 2jnc n GLY 77 Ca 0.36 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.62 0.68 -0.19 4.61 0.00 -0.60 -4.94 121.76 118.70 2jnc s ALA 78 Ca 0.00 -0.16 -0.21 0.00 0.00 0.00 0.00 51.96 51.59 2jnc s ALA 78 Cb 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 2jnc s ALA 78 CO 0.00 0.06 0.62 -1.17 0.00 0.00 0.00 175.76 175.27 2jnc s LEU 79 N 0.50 4.16 -0.04 0.00 2.96 -1.26 -1.39 118.68 123.61 2jnc s LEU 79 Ca -0.07 0.84 -0.02 0.00 -0.22 0.00 0.00 54.13 54.66 2jnc s LEU 79 Cb -0.11 -2.88 -0.04 0.00 0.50 0.00 0.00 46.19 43.67 2jnc s LEU 79 CO 0.00 -0.25 0.07 0.54 -1.32 0.00 0.00 176.35 175.39 2jnc s VAL 80 N 1.80 4.75 -0.01 1.68 0.11 0.50 -4.89 120.40 124.34 2jnc s VAL 80 Ca 0.29 -0.27 0.07 0.00 -2.93 0.00 0.00 61.98 59.14 2jnc s VAL 80 Cb -0.16 -3.11 -0.02 0.00 -1.53 0.00 0.00 36.38 31.56 2jnc s VAL 80 CO 0.11 0.46 -0.23 -1.83 -3.33 0.00 0.00 175.10 170.28 2jnc s GLU 81 N -1.40 2.13 0.02 1.54 4.04 -1.26 0.15 118.70 123.92 2jnc s GLU 81 Ca 0.19 -0.92 -0.05 0.00 0.04 0.00 0.00 54.97 54.23 2jnc s GLU 81 Cb -0.12 -2.12 -0.01 0.00 0.02 0.00 0.00 34.13 31.91 2jnc s GLU 81 CO 0.09 0.56 0.08 1.03 -1.84 0.00 0.00 175.26 175.18 2jnc s ARG 82 N -0.85 0.48 0.56 -4.83 1.81 -0.71 -4.92 118.95 110.48 2jnc s ARG 82 Ca 0.11 -0.58 -0.21 0.00 -1.72 0.00 0.00 55.73 53.34 2jnc s ARG 82 Cb -0.10 0.19 -0.04 0.00 -0.45 0.00 0.00 34.95 34.54 2jnc s ARG 82 CO 0.01 -0.11 1.29 -1.25 -0.68 0.00 0.00 175.30 174.56 2jnc s PRO 83 N -1.83 3.10 0.84 3.54 0.04 -1.26 0.20 135.00 139.63 2jnc s PRO 83 Ca -0.12 2.07 -0.10 0.00 0.04 0.00 0.00 61.00 62.89 2jnc s PRO 83 Cb -0.06 -2.15 0.10 0.00 0.04 0.00 0.00 34.50 32.43 2jnc s PRO 83 CO -0.01 -1.17 1.12 0.00 0.04 0.00 0.00 177.00 176.98 2jnc n PRO 85 N -3.87 1.25 -0.10 0.00 -0.04 -1.26 -4.93 135.00 126.03 2jnc n PRO 85 Ca 0.11 0.45 -0.18 0.00 -0.04 0.00 0.00 63.50 63.83 2jnc n PRO 85 Cb 0.52 -1.99 -0.08 0.00 -0.04 0.00 0.00 33.50 31.91 2jnc n PRO 85 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2jnc n GLU 86 N 1.99 0.46 -3.20 0.54 2.13 -1.26 -4.83 120.64 116.47 2jnc n GLU 86 Ca 0.16 0.15 -0.20 0.00 0.66 0.00 0.00 57.16 57.93 2jnc n GLU 86 Cb 0.24 -1.31 -0.07 0.00 0.27 0.00 0.00 31.44 30.57 2jnc n GLU 86 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2jnc n TYR 87 N -3.52 -1.73 -0.48 4.31 4.01 -1.26 -4.48 117.16 114.01 2jnc n TYR 87 Ca -0.38 -2.77 0.00 0.00 -0.16 0.00 0.00 57.90 54.59 2jnc n TYR 87 Cb 0.83 0.58 0.00 0.00 -0.31 0.00 0.00 39.34 40.44 2jnc n TYR 87 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2jnc n PHE 88 N 2.77 0.00 -3.98 -0.72 3.72 -0.75 -5.10 117.46 113.40 2jnc n PHE 88 Ca 0.26 -0.11 -0.08 0.00 -0.05 0.00 0.00 57.45 57.47 2jnc n PHE 88 Cb 0.51 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 39.01 2jnc n PHE 88 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2jnc n ASN 89 N -0.11 -0.44 0.00 4.37 2.85 -0.16 -4.99 115.26 116.77 2jnc n ASN 89 Ca 0.00 -1.92 0.09 0.00 -0.11 0.00 0.00 54.58 52.64 2jnc n ASN 89 Cb 0.23 0.91 0.41 0.00 1.24 0.00 0.00 39.78 42.57 2jnc n ASN 89 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jnc n GLY 90 N -0.27 -1.09 3.88 8.20 0.00 -1.26 -4.73 105.19 109.92 2jnc n GLY 90 Ca 0.02 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 2jnc n GLY 90 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jnc s ILE 91 N -2.92 5.28 -0.44 -0.61 -5.25 -1.26 -5.08 121.20 110.92 2jnc s ILE 91 Ca 0.11 -0.28 0.02 0.00 -0.99 0.00 0.00 60.65 59.51 2jnc s ILE 91 Cb 0.12 -3.49 0.14 0.00 2.95 0.00 0.00 42.46 42.18 2jnc s ILE 91 CO 0.32 0.28 0.25 -0.54 -1.79 0.00 0.00 174.94 173.47 2jnc s LYS 92 N -2.06 1.23 -0.01 0.37 3.01 -1.26 -4.73 119.74 116.30 2jnc s LYS 92 Ca 0.28 -2.00 -0.20 0.00 -1.01 0.00 0.00 55.97 53.04 2jnc s LYS 92 Cb -0.13 -2.21 0.07 0.00 -1.01 0.00 0.00 37.83 34.55 2jnc s LYS 92 CO 0.20 -1.19 0.92 2.48 0.51 0.00 0.00 175.35 178.28 2jnc n TYR 93 N 3.48 -0.35 -2.16 3.18 0.18 -1.26 -5.08 117.16 115.15 2jnc n TYR 93 Ca 0.11 -0.53 -0.03 0.00 1.88 0.00 0.00 57.90 59.33 2jnc n TYR 93 Cb 0.36 0.24 0.01 0.00 -0.38 0.00 0.00 39.34 39.57 2jnc n TYR 93 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 2jnc n ASN 94 N -0.84 -4.10 -3.28 9.48 5.15 -1.26 -4.89 115.26 115.52 2jnc n ASN 94 Ca 0.03 -0.16 -0.35 0.00 -0.60 0.00 0.00 54.58 53.51 2jnc n ASN 94 Cb 0.42 -2.57 -0.00 0.00 -0.53 0.00 0.00 39.78 37.10 2jnc n ASN 94 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2jnc n THR 95 N -1.75 4.65 0.00 -0.44 -2.24 -1.26 -4.60 114.28 108.64 2jnc n THR 95 Ca -0.01 -5.69 0.00 0.00 -2.27 0.00 0.00 64.05 56.07 2jnc n THR 95 Cb 0.52 -1.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 2jnc n THR 95 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2jnc n THR 96 N -0.18 0.00 -0.67 4.28 -1.04 -1.26 -5.06 114.28 110.34 2jnc n THR 96 Ca 0.41 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 62.13 2jnc n THR 96 Cb 0.33 -0.32 0.23 0.00 -1.82 0.00 0.00 70.33 68.75 2jnc n THR 96 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2jnc s ARG 97 N -1.74 -0.60 0.00 -2.82 3.00 -1.26 -4.80 118.95 110.73 2jnc s ARG 97 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 55.73 56.54 2jnc s ARG 97 Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 34.95 33.36 2jnc s ARG 97 CO 0.00 -3.50 0.00 0.27 0.00 0.00 0.00 175.30 172.07 2jnc n ASN 98 N -4.75 0.98 -3.45 0.23 6.94 -1.26 0.02 115.26 113.97 2jnc n ASN 98 Ca 0.04 -0.23 -0.19 0.00 -0.02 0.00 0.00 54.58 54.18 2jnc n ASN 98 Cb 0.55 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.85 2jnc n ASN 98 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jnc s ALA 99 N -2.00 -0.26 -0.36 -2.53 0.00 0.53 -3.89 121.76 113.26 2jnc s ALA 99 Ca 0.00 -0.24 -0.24 0.00 0.00 0.00 0.00 51.96 51.47 2jnc s ALA 99 Cb 0.00 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.53 2jnc s ALA 99 CO 0.00 -1.55 0.84 0.71 0.00 0.00 0.00 175.76 175.76 2jnc s TYR 100 N 2.32 3.10 -0.11 0.00 2.02 -1.26 -1.74 117.35 121.68 2jnc s TYR 100 Ca 0.09 0.66 0.00 0.00 -0.37 0.00 0.00 57.07 57.45 2jnc s TYR 100 Cb -0.15 -3.50 -0.02 0.00 -0.40 0.00 0.00 41.96 37.90 2jnc s TYR 100 CO -0.27 -0.76 -0.12 0.50 -1.57 0.00 0.00 175.55 173.33 2jnc s ARG 101 N 3.25 3.15 0.16 -0.62 3.52 0.39 0.77 118.95 129.57 2jnc s ARG 101 Ca 0.34 -0.66 -0.07 0.00 -0.13 0.00 0.00 55.73 55.22 2jnc s ARG 101 Cb -0.13 -2.60 -0.06 0.00 -1.56 0.00 0.00 34.95 30.60 2jnc s ARG 101 CO 0.17 0.36 0.43 -2.00 -0.81 0.00 0.00 175.30 173.45 2jnc s GLU 102 N -0.02 3.69 -0.44 5.12 2.12 -1.26 0.19 118.70 128.10 2jnc s GLU 102 Ca -0.03 0.06 -0.01 0.00 0.36 0.00 0.00 54.97 55.35 2jnc s GLU 102 Cb -0.14 -2.81 0.12 0.00 0.26 0.00 0.00 34.13 31.56 2jnc s GLU 102 CO 0.04 0.44 0.22 0.00 -0.54 0.00 0.00 175.26 175.41 2jnc n LEU 104 N 4.20 0.95 -0.04 0.00 7.99 -1.06 0.56 117.00 129.59 2jnc n LEU 104 Ca 0.02 1.14 0.24 0.00 -0.01 0.00 0.00 56.01 57.40 2jnc n LEU 104 Cb 0.40 -1.04 0.68 0.00 -0.11 0.00 0.00 43.42 43.35 2jnc n LEU 104 CO 0.31 -1.35 1.22 1.05 -1.51 0.00 0.00 177.39 177.11 2jnc h GLU 105 N 4.15 0.00 0.00 3.23 -0.00 -1.89 0.44 114.58 120.50 2jnc h GLU 105 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.87 2jnc h GLU 105 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.13 2jnc h GLU 105 CO 0.76 0.00 0.00 -0.97 -0.00 0.00 0.00 179.01 178.80 2jnc h ASN 106 N 0.00 0.00 0.00 3.06 -0.00 -1.95 -3.44 115.58 113.26 2jnc h ASN 106 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.62 2jnc h ASN 106 Cb 1.67 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.99 2jnc h ASN 106 CO -0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 178.04 2jnc n GLY 107 N -0.67 0.94 0.00 1.57 0.00 0.15 -5.01 105.19 102.17 2jnc n GLY 107 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2jnc n GLY 107 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2jnc n THR 108 N 0.00 0.00 -4.35 2.61 5.66 -1.08 -4.25 114.28 112.87 2jnc n THR 108 Ca 0.00 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.72 2jnc n THR 108 Cb 0.00 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 68.67 2jnc n THR 108 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 2jnc s TRP 109 N -1.50 2.45 0.40 1.09 0.23 -1.26 -2.57 118.94 117.77 2jnc s TRP 109 Ca 0.00 -0.30 0.08 0.00 -2.03 0.00 0.00 56.10 53.84 2jnc s TRP 109 Cb 0.00 -1.25 -0.03 0.00 0.03 0.00 0.00 33.47 32.23 2jnc s TRP 109 CO 0.00 0.45 0.34 0.00 0.96 0.00 0.00 176.95 178.69 2jnc s ALA 110 N -1.45 3.96 -0.56 0.98 0.00 0.36 -4.75 121.76 120.30 2jnc s ALA 110 Ca 0.20 -1.86 0.03 0.00 0.00 0.00 0.00 51.96 50.32 2jnc s ALA 110 Cb -0.09 -0.97 0.41 0.00 0.00 0.00 0.00 23.12 22.46 2jnc s ALA 110 CO 0.11 -0.17 1.47 -1.13 0.00 0.00 0.00 175.76 176.03 2jnc n SER 111 N -1.47 5.81 0.00 0.00 3.41 -1.26 -4.66 113.62 115.44 2jnc n SER 111 Ca 0.02 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.86 2jnc n SER 111 Cb 0.62 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 2jnc n SER 111 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jnc n ARG 112 N -0.57 0.00 -0.34 4.33 3.00 -1.26 -5.09 116.66 116.74 2jnc n ARG 112 Ca 0.46 0.00 0.04 0.00 -0.01 0.00 0.00 57.85 58.34 2jnc n ARG 112 Cb 0.58 -0.03 -0.02 0.00 0.00 0.00 0.00 32.46 32.99 2jnc n ARG 112 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 2jnc n VAL 113 N -0.05 0.00 -1.83 1.55 3.14 0.23 -4.67 118.33 116.71 2jnc n VAL 113 Ca 0.00 0.10 -0.28 0.00 -2.96 0.00 0.00 64.34 61.20 2jnc n VAL 113 Cb 0.00 -0.21 0.04 0.00 -1.06 0.00 0.00 33.84 32.61 2jnc n VAL 113 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2jnc n ASN 114 N -2.73 5.83 -0.05 6.55 2.85 -1.25 -4.27 115.26 122.19 2jnc n ASN 114 Ca -0.01 -3.76 -0.12 0.00 -0.11 0.00 0.00 54.58 50.58 2jnc n ASN 114 Cb 0.16 -0.56 -0.07 0.00 1.24 0.00 0.00 39.78 40.55 2jnc n ASN 114 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 2jnc h TYR 115 N 2.16 0.34 -1.33 1.20 -1.99 -1.83 -2.77 116.97 112.75 2jnc h TYR 115 Ca 0.44 -0.08 0.39 0.00 2.00 0.00 0.00 58.73 61.48 2jnc h TYR 115 Cb 1.26 -0.08 -0.06 0.00 2.00 0.00 0.00 36.73 39.85 2jnc h TYR 115 CO 1.04 0.61 0.95 1.03 -0.00 0.00 0.00 178.16 181.78 2jnc h SER 116 N -0.02 0.05 -0.29 3.88 0.87 -1.93 0.17 113.55 116.28 2jnc h SER 116 Ca 0.03 0.02 -0.21 0.00 -1.23 0.00 0.00 61.79 60.39 2jnc h SER 116 Cb 0.52 0.01 -0.17 0.00 -0.44 0.00 0.00 62.40 62.31 2jnc h SER 116 CO 0.02 -0.00 -0.63 1.41 -0.53 0.00 0.00 176.83 177.10 2jnc n HIS 117 N -4.20 1.07 0.00 2.24 8.25 -1.15 -4.98 115.22 116.45 2jnc n HIS 117 Ca 0.30 -1.78 0.00 0.00 -0.26 0.00 0.00 57.72 55.98 2jnc n HIS 117 Cb 1.37 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 32.20 2jnc n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jnc n GLU 119 N 0.00 0.00 -1.66 0.00 2.13 -1.26 -5.04 120.64 114.81 2jnc n GLU 119 Ca 0.00 0.00 -0.46 0.00 0.66 0.00 0.00 57.16 57.36 2jnc n GLU 119 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 2jnc n GLU 119 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2jnc n PRO 120 N -0.13 1.93 0.00 5.31 -0.04 -1.26 -4.93 135.00 135.89 2jnc n PRO 120 Ca 0.00 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 2jnc n PRO 120 Cb 0.00 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 2jnc n PRO 120 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97