#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 -2.05 0.00 0.00 0.00 -0.00 -1.26 -4.61 115.22 107.31 2jnc n HIS 46 Ca 0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.26 2jnc n HIS 46 Cb 0.59 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.46 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 0.00 0.00 -3.33 1.57 5.12 -1.26 -4.68 116.66 114.08 2jnc n ARG 47 Ca 0.00 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.80 2jnc n ARG 47 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2jnc n ARG 47 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2jnc n THR 48 N 0.00 -7.44 -2.02 0.55 -2.24 -1.26 -4.98 114.28 96.89 2jnc n THR 48 Ca 0.00 -0.04 -0.30 0.00 -2.27 0.00 0.00 64.05 61.45 2jnc n THR 48 Cb 0.00 -5.33 0.03 0.00 -2.10 0.00 0.00 70.33 62.93 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 -2.86 3.95 0.47 4.28 -4.23 -1.26 -4.75 115.64 111.24 2jnc s THR 49 Ca 0.05 0.49 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 2jnc s THR 49 Cb -0.01 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.22 2jnc s THR 49 CO 0.81 -0.76 0.00 0.00 -0.54 0.00 0.00 174.62 174.13 2jnc n ILE 50 N -2.81 0.00 0.00 2.99 0.13 -1.23 -4.69 119.36 113.75 2jnc n ILE 50 Ca 0.06 0.43 0.00 0.00 -1.10 0.00 0.00 62.75 62.14 2jnc n ILE 50 Cb 0.56 -0.92 0.00 0.00 -0.84 0.00 0.00 39.64 38.44 2jnc n ILE 50 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2jnc n GLY 51 N -4.30 0.56 0.63 4.50 0.00 -1.26 -4.70 105.19 100.61 2jnc n GLY 51 Ca -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 2jnc n GLY 51 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jnc n ASN 52 N 1.47 1.07 -4.62 1.61 4.13 -1.26 -5.10 115.26 112.56 2jnc n ASN 52 Ca 0.00 -1.30 -0.36 0.00 1.68 0.00 0.00 54.58 54.61 2jnc n ASN 52 Cb 0.00 -0.02 0.09 0.00 -1.54 0.00 0.00 39.78 38.31 2jnc n ASN 52 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2jnc n PHE 53 N -0.83 0.74 -2.00 3.10 3.72 -1.26 -4.37 117.46 116.56 2jnc n PHE 53 Ca 0.00 0.39 -0.02 0.00 -0.05 0.00 0.00 57.45 57.78 2jnc n PHE 53 Cb 0.10 -2.09 0.00 0.00 -0.94 0.00 0.00 39.48 36.56 2jnc n PHE 53 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2jnc n SER 54 N -1.79 -4.04 -4.88 4.37 7.64 -1.26 -4.70 113.62 108.97 2jnc n SER 54 Ca 0.13 0.10 -0.30 0.00 1.01 0.00 0.00 58.87 59.81 2jnc n SER 54 Cb 0.49 -2.51 -0.00 0.00 -1.01 0.00 0.00 64.21 61.18 2jnc n SER 54 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2jnc s GLY 55 N -1.90 1.69 0.05 0.23 0.00 -1.26 -3.51 107.32 102.62 2jnc s GLY 55 Ca 0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 44.72 44.58 2jnc s GLY 55 CO 0.26 0.05 0.06 -1.55 0.00 0.00 0.00 173.10 171.93 2jnc n PRO 56 N -2.35 0.26 -3.87 2.90 -0.04 -1.26 -4.81 135.00 125.82 2jnc n PRO 56 Ca 0.04 -0.13 -0.19 0.00 -0.04 0.00 0.00 63.50 63.18 2jnc n PRO 56 Cb 0.54 -0.06 -0.06 0.00 -0.04 0.00 0.00 33.50 33.89 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 -1.78 -0.10 0.09 0.54 9.36 -1.26 -5.01 117.16 118.99 2jnc n TYR 57 Ca 0.01 -2.13 0.05 0.00 3.32 0.00 0.00 57.90 59.15 2jnc n TYR 57 Cb 0.03 0.06 0.24 0.00 -0.63 0.00 0.00 39.34 39.04 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 -0.67 1.58 -0.54 2.97 -1.04 -1.26 -4.66 114.28 110.67 2jnc n THR 58 Ca -0.02 0.58 0.00 0.00 -2.04 0.00 0.00 64.05 62.57 2jnc n THR 58 Cb 0.49 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 2jnc n THR 58 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2jnc n TYR 59 N -1.80 -2.57 -0.93 -1.42 4.01 -1.26 -4.65 117.16 108.54 2jnc n TYR 59 Ca -0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.47 2jnc n TYR 59 Cb 0.02 0.00 0.23 0.00 -0.31 0.00 0.00 39.34 39.28 2jnc n TYR 59 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jnc s ASN 61 N -4.05 0.13 -0.74 0.00 3.84 -1.26 -4.21 114.94 108.65 2jnc s ASN 61 Ca 0.63 -0.43 -0.26 0.00 0.21 0.00 0.00 52.86 53.02 2jnc s ASN 61 Cb -0.07 0.22 -0.11 0.00 -0.55 0.00 0.00 41.25 40.75 2jnc s ASN 61 CO 0.49 -0.46 2.32 -0.89 -2.79 0.00 0.00 177.10 175.77 2jnc s THR 62 N -2.19 3.08 0.36 -5.21 2.01 -1.20 -4.23 115.64 108.27 2jnc s THR 62 Ca -0.08 -0.04 0.09 0.00 0.31 0.00 0.00 61.69 61.96 2jnc s THR 62 Cb -0.03 -3.20 -0.06 0.00 0.01 0.00 0.00 72.50 69.22 2jnc s THR 62 CO -0.03 -0.19 -0.00 0.28 -0.69 0.00 0.00 174.62 173.99 2jnc s THR 63 N 13.37 2.36 -0.03 -0.82 -1.32 -0.21 -4.85 115.64 124.15 2jnc s THR 63 Ca 0.89 -2.02 0.04 0.00 -1.21 0.00 0.00 61.69 59.39 2jnc s THR 63 Cb -0.13 -2.81 -0.03 0.00 -1.51 0.00 0.00 72.50 68.03 2jnc s THR 63 CO 0.11 -0.15 -0.14 -0.22 -2.21 0.00 0.00 174.62 172.02 2jnc s LEU 64 N -3.70 2.78 0.00 9.08 0.20 -1.26 0.13 118.68 125.90 2jnc s LEU 64 Ca 0.35 -0.22 0.02 0.00 0.69 0.00 0.00 54.13 54.96 2jnc s LEU 64 Cb 0.03 -1.58 0.02 0.00 -0.43 0.00 0.00 46.19 44.22 2jnc s LEU 64 CO 0.19 0.32 0.14 -0.90 -0.29 0.00 0.00 176.35 175.81 2jnc n ASP 65 N 2.09 1.27 -0.33 3.68 5.68 -1.11 -5.00 116.55 122.83 2jnc n ASP 65 Ca -0.17 -1.49 0.27 0.00 -0.50 0.00 0.00 54.79 52.90 2jnc n ASP 65 Cb 0.52 -0.03 0.52 0.00 -1.14 0.00 0.00 41.12 40.99 2jnc n ASP 65 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 2jnc h GLN 66 N 0.00 0.21 -6.20 0.11 4.15 -2.00 -3.41 115.11 107.97 2jnc h GLN 66 Ca -0.09 -0.01 -0.53 0.00 0.77 0.00 0.00 58.65 58.79 2jnc h GLN 66 Cb 0.35 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.93 2jnc h GLN 66 CO 0.14 0.14 -0.54 0.96 -1.93 0.00 0.00 178.83 177.60 2jnc s ILE 67 N -5.60 4.42 -0.83 2.39 -5.25 -1.26 -5.00 121.20 110.06 2jnc s ILE 67 Ca -0.10 -1.33 -0.24 0.00 -0.99 0.00 0.00 60.65 57.99 2jnc s ILE 67 Cb 0.31 -3.35 -0.17 0.00 2.95 0.00 0.00 42.46 42.21 2jnc s ILE 67 CO 0.79 -0.28 2.34 0.61 -1.79 0.00 0.00 174.94 176.61 2jnc n GLY 68 N -0.92 -0.22 3.60 6.27 0.00 -1.26 -4.78 105.19 107.87 2jnc n GLY 68 Ca -0.08 0.26 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 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 13.89 -0.12 -0.18 2.61 2.01 -1.26 -5.07 115.64 127.53 2jnc s THR 69 Ca 0.94 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.86 2jnc s THR 69 Cb -0.18 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 2jnc s THR 69 CO 0.13 0.00 0.07 0.00 -0.69 0.00 0.00 174.62 174.14 2jnc s TRP 71 N 0.20 3.43 1.21 0.00 0.52 0.34 -4.90 118.94 119.75 2jnc s TRP 71 Ca 0.05 -1.93 -0.16 0.00 0.02 0.00 0.00 56.10 54.08 2jnc s TRP 71 Cb -0.12 -3.08 0.29 0.00 -1.15 0.00 0.00 33.47 29.41 2jnc s TRP 71 CO 0.00 -0.92 1.03 -1.25 0.02 0.00 0.00 176.95 175.84 2jnc s PRO 72 N 1.30 -1.24 0.43 4.98 0.04 -1.26 -1.04 135.00 138.21 2jnc s PRO 72 Ca 0.04 0.40 -0.25 0.00 0.04 0.00 0.00 61.00 61.23 2jnc s PRO 72 Cb -0.23 -1.55 -0.08 0.00 0.04 0.00 0.00 34.50 32.68 2jnc s PRO 72 CO -0.01 -3.82 1.23 -1.14 0.04 0.00 0.00 177.00 173.29 2jnc s GLN 73 N -4.90 3.88 0.00 4.56 -0.44 -1.26 -4.38 119.66 117.11 2jnc s GLN 73 Ca 0.68 1.96 0.00 0.00 -2.50 0.00 0.00 55.36 55.50 2jnc s GLN 73 Cb -0.18 -2.60 0.00 0.00 -1.64 0.00 0.00 33.01 28.59 2jnc s GLN 73 CO 0.60 -0.50 0.00 0.45 0.50 0.00 0.00 175.29 176.33 2jnc n SER 74 N -0.13 -0.00 -3.62 6.67 2.88 -1.26 -4.92 113.62 113.24 2jnc n SER 74 Ca 0.05 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.55 2jnc n SER 74 Cb 0.46 0.18 -0.04 0.00 -0.75 0.00 0.00 64.21 64.05 2jnc n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jnc s ALA 75 N -1.65 -2.07 -0.36 -1.46 0.00 -1.26 -4.73 121.76 110.23 2jnc s ALA 75 Ca 0.00 1.78 -0.29 0.00 0.00 0.00 0.00 51.96 53.45 2jnc s ALA 75 Cb 0.00 -1.14 0.01 0.00 0.00 0.00 0.00 23.12 21.99 2jnc s ALA 75 CO 0.00 -0.30 1.23 -1.25 0.00 0.00 0.00 175.76 175.44 2jnc s PRO 76 N -1.20 3.87 0.00 0.00 0.04 -1.26 -3.74 135.00 132.70 2jnc s PRO 76 Ca 0.06 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.12 2jnc s PRO 76 Cb -0.01 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.66 2jnc s PRO 76 CO -0.05 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.22 2jnc n GLY 77 N 4.42 0.56 3.25 0.56 0.00 0.26 -4.36 105.19 109.89 2jnc n GLY 77 Ca 0.14 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.67 1.52 0.05 4.61 0.00 -0.60 -4.87 121.76 120.81 2jnc s ALA 78 Ca 0.00 -1.81 0.05 0.00 0.00 0.00 0.00 51.96 50.20 2jnc s ALA 78 Cb 0.00 1.33 -0.02 0.00 0.00 0.00 0.00 23.12 24.43 2jnc s ALA 78 CO 0.00 -0.58 -0.14 -1.17 0.00 0.00 0.00 175.76 173.87 2jnc s LEU 79 N -3.26 2.21 -0.10 0.00 0.20 -1.26 0.26 118.68 116.73 2jnc s LEU 79 Ca 0.39 -0.52 0.00 0.00 0.69 0.00 0.00 54.13 54.69 2jnc s LEU 79 Cb 0.06 -0.54 0.02 0.00 -0.43 0.00 0.00 46.19 45.29 2jnc s LEU 79 CO 0.17 -0.02 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.44 2jnc s VAL 80 N -1.03 1.00 0.84 1.68 1.01 0.49 -4.91 120.40 119.47 2jnc s VAL 80 Ca -0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 2jnc s VAL 80 Cb -0.09 -1.01 0.10 0.00 0.00 0.00 0.00 36.38 35.39 2jnc s VAL 80 CO 0.02 0.36 1.20 -1.83 0.00 0.00 0.00 175.10 174.84 2jnc s GLU 81 N 1.52 1.73 -0.28 2.72 1.03 -1.26 0.14 118.70 124.28 2jnc s GLU 81 Ca 0.01 0.03 -0.31 0.00 0.03 0.00 0.00 54.97 54.73 2jnc s GLU 81 Cb -0.13 -1.93 0.18 0.00 -0.80 0.00 0.00 34.13 31.45 2jnc s GLU 81 CO -0.06 -1.75 1.36 1.03 -1.33 0.00 0.00 175.26 174.52 2jnc s ARG 82 N -5.62 0.06 0.56 -4.83 0.52 -1.26 -4.72 118.95 103.65 2jnc s ARG 82 Ca 0.64 0.00 -0.05 0.00 -0.52 0.00 0.00 55.73 55.80 2jnc s ARG 82 Cb -0.10 0.03 -0.00 0.00 0.52 0.00 0.00 34.95 35.39 2jnc s ARG 82 CO 0.50 -0.02 0.86 -1.25 0.02 0.00 0.00 175.30 175.41 2jnc s PRO 83 N -1.29 3.08 0.55 3.54 0.04 -1.26 0.23 135.00 139.89 2jnc s PRO 83 Ca 0.10 0.01 -0.21 0.00 0.04 0.00 0.00 61.00 60.93 2jnc s PRO 83 Cb -0.01 -2.31 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 2jnc s PRO 83 CO -0.07 -0.55 1.34 0.00 0.04 0.00 0.00 177.00 177.76 2jnc h PRO 85 N 1.39 0.31 0.00 0.00 0.13 -1.86 -3.44 132.00 128.52 2jnc h PRO 85 Ca -0.51 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 2jnc h PRO 85 Cb 1.30 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2jnc h PRO 85 CO 0.57 0.44 0.00 -1.91 -0.23 0.00 0.00 178.00 176.87 2jnc n GLU 86 N -4.26 0.00 -1.04 0.86 2.13 -1.26 -4.33 120.64 112.75 2jnc n GLU 86 Ca -0.00 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.47 2jnc n GLU 86 Cb 0.28 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.95 2jnc n GLU 86 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 2jnc n TYR 87 N 0.00 1.81 -1.06 4.31 9.36 -1.26 -4.02 117.16 126.31 2jnc n TYR 87 Ca 0.00 -2.00 0.00 0.00 3.32 0.00 0.00 57.90 59.23 2jnc n TYR 87 Cb 0.00 -1.78 0.01 0.00 -0.63 0.00 0.00 39.34 36.94 2jnc n TYR 87 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2jnc n PHE 88 N 5.97 0.00 -3.32 2.98 3.01 -1.26 -5.11 117.46 119.72 2jnc n PHE 88 Ca 0.49 -0.10 -0.02 0.00 1.01 0.00 0.00 57.45 58.82 2jnc n PHE 88 Cb 0.29 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.74 2jnc n PHE 88 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2jnc n ASN 89 N -0.12 -0.48 0.25 4.37 4.13 -1.26 -5.02 115.26 117.13 2jnc n ASN 89 Ca 0.01 -1.40 0.16 0.00 1.68 0.00 0.00 54.58 55.03 2jnc n ASN 89 Cb 0.51 0.82 0.86 0.00 -1.54 0.00 0.00 39.78 40.43 2jnc n ASN 89 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 2jnc h GLY 90 N 0.47 0.00 -3.06 7.41 0.00 -1.99 -3.42 103.07 102.47 2jnc h GLY 90 Ca -0.07 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.77 2jnc h GLY 90 CO 0.10 0.00 -0.76 -1.50 0.00 0.00 0.00 176.54 174.37 2jnc s ILE 91 N -4.66 1.74 -1.18 2.60 2.07 -1.26 -5.07 121.20 115.45 2jnc s ILE 91 Ca -0.05 -2.00 -0.05 0.00 -1.41 0.00 0.00 60.65 57.13 2jnc s ILE 91 Cb 0.15 -1.88 0.23 0.00 0.13 0.00 0.00 42.46 41.09 2jnc s ILE 91 CO 0.55 -0.42 1.83 2.29 -1.91 0.00 0.00 174.94 177.28 2jnc n LYS 92 N 0.08 4.40 -1.17 3.50 0.00 -1.26 -4.55 118.16 119.15 2jnc n LYS 92 Ca -0.11 -4.05 -0.36 0.00 -0.00 0.00 0.00 58.31 53.79 2jnc n LYS 92 Cb 0.58 -2.66 0.07 0.00 -0.00 0.00 0.00 35.03 33.03 2jnc n LYS 92 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 2jnc n TYR 93 N 1.96 -1.29 -1.24 5.58 0.18 -1.26 -4.12 117.16 116.97 2jnc n TYR 93 Ca 0.40 0.31 -0.49 0.00 1.88 0.00 0.00 57.90 60.01 2jnc n TYR 93 Cb 0.31 -1.85 -0.07 0.00 -0.38 0.00 0.00 39.34 37.35 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 -0.05 0.85 0.21 9.48 2.85 0.25 -4.23 115.26 124.61 2jnc n ASN 94 Ca 0.09 0.83 0.15 0.00 -0.11 0.00 0.00 54.58 55.53 2jnc n ASN 94 Cb 0.51 -0.64 0.63 0.00 1.24 0.00 0.00 39.78 41.51 2jnc n ASN 94 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2jnc h THR 95 N 3.80 0.00 0.00 -0.44 1.35 -1.85 -3.41 112.91 112.36 2jnc h THR 95 Ca -0.30 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2jnc h THR 95 Cb 1.00 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2jnc h THR 95 CO 0.72 0.00 0.00 0.41 -0.25 0.00 0.00 175.52 176.40 2jnc n THR 96 N -2.63 0.00 -1.12 6.82 -1.04 -1.26 -0.39 114.28 114.66 2jnc n THR 96 Ca 0.01 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.17 2jnc n THR 96 Cb 0.23 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.70 2jnc n THR 96 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2jnc n ARG 97 N 0.00 -2.35 -4.00 -2.82 5.12 -1.26 0.20 116.66 111.54 2jnc n ARG 97 Ca 0.00 1.67 -0.24 0.00 -1.93 0.00 0.00 57.85 57.35 2jnc n ARG 97 Cb 0.00 -2.83 -0.17 0.00 -1.16 0.00 0.00 32.46 28.30 2jnc n ARG 97 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2jnc s ASN 98 N -6.41 1.66 -0.40 0.55 2.20 -1.25 -4.17 114.94 107.12 2jnc s ASN 98 Ca 0.00 -0.19 -0.00 0.00 -0.94 0.00 0.00 52.86 51.72 2jnc s ASN 98 Cb 0.00 -0.62 0.34 0.00 -2.00 0.00 0.00 41.25 38.96 2jnc s ASN 98 CO 0.00 -0.11 1.91 0.00 -2.94 0.00 0.00 177.10 175.96 2jnc n ALA 99 N 4.67 5.26 -1.53 3.54 0.00 0.63 -3.82 120.51 129.26 2jnc n ALA 99 Ca -0.15 -2.18 -0.38 0.00 0.00 0.00 0.00 53.44 50.73 2jnc n ALA 99 Cb 0.50 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 18.44 2jnc n ALA 99 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2jnc n TYR 100 N -0.23 1.21 -3.82 0.00 0.18 -1.24 -4.16 117.16 109.10 2jnc n TYR 100 Ca 0.41 0.20 -0.36 0.00 1.88 0.00 0.00 57.90 60.02 2jnc n TYR 100 Cb 0.79 -2.56 -0.07 0.00 -0.38 0.00 0.00 39.34 37.13 2jnc n TYR 100 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 2jnc s ARG 101 N 8.32 3.68 -0.04 -3.48 6.06 0.37 -2.84 118.95 131.02 2jnc s ARG 101 Ca 1.10 -0.13 -0.03 0.00 -2.50 0.00 0.00 55.73 54.17 2jnc s ARG 101 Cb -0.53 -3.26 -0.04 0.00 0.06 0.00 0.00 34.95 31.19 2jnc s ARG 101 CO 0.34 0.64 0.15 -2.00 -2.50 0.00 0.00 175.30 171.92 2jnc s GLU 102 N -0.63 3.34 -0.40 5.12 2.12 -1.26 0.18 118.70 127.18 2jnc s GLU 102 Ca 0.14 -0.32 -0.04 0.00 0.36 0.00 0.00 54.97 55.11 2jnc s GLU 102 Cb -0.12 -3.06 0.10 0.00 0.26 0.00 0.00 34.13 31.31 2jnc s GLU 102 CO 0.03 0.69 0.20 0.00 -0.54 0.00 0.00 175.26 175.64 2jnc n LEU 104 N 4.68 2.90 -0.29 0.00 4.32 0.14 0.92 117.00 129.68 2jnc n LEU 104 Ca -0.05 1.10 0.34 0.00 -0.02 0.00 0.00 56.01 57.37 2jnc n LEU 104 Cb 0.42 -1.40 0.73 0.00 -1.62 0.00 0.00 43.42 41.55 2jnc n LEU 104 CO 0.34 -0.42 1.31 1.05 -1.22 0.00 0.00 177.39 178.46 2jnc h GLU 105 N 5.49 0.00 0.00 3.23 4.11 -1.84 0.88 114.58 126.45 2jnc h GLU 105 Ca -0.45 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.97 2jnc h GLU 105 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 2jnc h GLU 105 CO 0.85 0.00 -0.02 -0.91 0.07 0.00 0.00 179.01 179.01 2jnc h ASN 106 N 0.00 0.00 0.00 3.06 2.35 -1.91 -3.42 115.58 115.66 2jnc h ASN 106 Ca 0.54 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.29 2jnc h ASN 106 Cb 2.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.67 2jnc h ASN 106 CO -0.01 0.02 0.00 0.61 -1.65 0.00 0.00 177.43 176.40 2jnc n GLY 107 N -0.88 1.92 3.89 2.83 0.00 0.30 -5.11 105.19 108.14 2jnc n GLY 107 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.84 4.85 0.26 2.61 -4.23 -1.22 -4.69 115.64 111.36 2jnc s THR 108 Ca 0.00 0.45 -0.14 0.00 -1.18 0.00 0.00 61.69 60.82 2jnc s THR 108 Cb 0.00 -3.76 -0.08 0.00 1.34 0.00 0.00 72.50 70.00 2jnc s THR 108 CO 0.00 -0.55 0.65 0.26 -0.54 0.00 0.00 174.62 174.45 2jnc s TRP 109 N -2.39 3.46 0.59 3.99 0.52 -1.26 0.25 118.94 124.10 2jnc s TRP 109 Ca 0.49 1.12 0.04 0.00 0.02 0.00 0.00 56.10 57.77 2jnc s TRP 109 Cb -0.10 -2.44 0.08 0.00 -1.15 0.00 0.00 33.47 29.85 2jnc s TRP 109 CO 0.33 0.23 0.82 0.00 0.02 0.00 0.00 176.95 178.36 2jnc s ALA 110 N -1.79 4.16 -0.63 0.98 0.00 0.37 -4.80 121.76 120.05 2jnc s ALA 110 Ca 0.48 -1.75 -0.02 0.00 0.00 0.00 0.00 51.96 50.67 2jnc s ALA 110 Cb -0.12 -1.81 0.39 0.00 0.00 0.00 0.00 23.12 21.58 2jnc s ALA 110 CO 0.19 -0.95 2.06 0.43 0.00 0.00 0.00 175.76 177.49 2jnc n SER 111 N -2.41 7.45 0.16 0.00 7.64 -1.26 -4.47 113.62 120.74 2jnc n SER 111 Ca 0.13 -3.66 0.07 0.00 1.01 0.00 0.00 58.87 56.42 2jnc n SER 111 Cb 0.60 -1.01 0.07 0.00 -1.01 0.00 0.00 64.21 62.86 2jnc n SER 111 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2jnc h ARG 112 N 2.09 0.00 -6.57 1.43 1.12 -1.87 -3.47 114.38 107.11 2jnc h ARG 112 Ca 0.55 0.00 -0.59 0.00 -1.11 0.00 0.00 59.98 58.83 2jnc h ARG 112 Cb 0.72 0.00 0.15 0.00 -0.01 0.00 0.00 29.97 30.83 2jnc h ARG 112 CO 1.42 0.22 -0.10 1.55 -3.11 0.00 0.00 179.97 179.94 2jnc n VAL 113 N -3.07 2.44 -1.90 0.20 3.14 -1.13 -4.54 118.33 113.47 2jnc n VAL 113 Ca 0.01 -0.50 -0.27 0.00 -2.96 0.00 0.00 64.34 60.62 2jnc n VAL 113 Cb 0.64 -0.90 0.03 0.00 -1.06 0.00 0.00 33.84 32.56 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 0.49 5.67 0.09 6.55 5.15 -1.25 -4.71 115.26 127.24 2jnc n ASN 114 Ca 0.11 -3.76 -0.22 0.00 -0.60 0.00 0.00 54.58 50.11 2jnc n ASN 114 Cb 0.42 -0.53 -0.15 0.00 -0.53 0.00 0.00 39.78 39.00 2jnc n ASN 114 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 2jnc h TYR 115 N 2.21 0.80 -0.02 1.20 -1.99 -1.91 -3.34 116.97 113.92 2jnc h TYR 115 Ca 0.43 -0.56 -0.05 0.00 2.00 0.00 0.00 58.73 60.55 2jnc h TYR 115 Cb 1.25 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 39.92 2jnc h TYR 115 CO 1.00 1.43 -0.05 0.45 -0.00 0.00 0.00 178.16 180.99 2jnc n SER 116 N -3.92 5.38 0.00 3.88 2.88 -1.26 -4.45 113.62 116.13 2jnc n SER 116 Ca -0.15 -2.45 0.00 0.00 -1.33 0.00 0.00 58.87 54.94 2jnc n SER 116 Cb 0.95 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 2jnc n SER 116 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2jnc n HIS 117 N 1.62 0.00 -1.42 0.66 8.25 -1.25 -5.16 115.22 117.91 2jnc n HIS 117 Ca 0.08 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.73 2jnc n HIS 117 Cb 0.57 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.63 2jnc n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jnc s GLU 119 N -2.48 1.15 0.14 0.00 2.02 -1.26 -4.97 118.70 113.30 2jnc s GLU 119 Ca 0.00 -0.94 -0.34 0.00 0.02 0.00 0.00 54.97 53.71 2jnc s GLU 119 Cb 0.00 -2.38 -0.16 0.00 0.10 0.00 0.00 34.13 31.69 2jnc s GLU 119 CO 0.00 -0.73 1.28 -0.35 0.02 0.00 0.00 175.26 175.49 2jnc n PRO 120 N 4.77 1.29 0.00 0.39 -0.04 -1.26 0.84 135.00 141.00 2jnc n PRO 120 Ca -0.08 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 2jnc n PRO 120 Cb 0.44 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 2jnc n PRO 120 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57