#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnc s HIS 46 N -2.47 0.15 0.00 0.00 -3.43 -1.26 -4.86 115.29 103.42 2jnc s HIS 46 Ca 0.06 0.38 0.00 0.00 -0.80 0.00 0.00 55.06 54.69 2jnc s HIS 46 Cb 0.00 -3.52 0.00 0.00 -1.43 0.00 0.00 32.58 27.63 2jnc s HIS 46 CO 0.04 -4.05 0.00 0.54 -2.00 0.00 0.00 174.74 169.27 2jnc n ARG 47 N -4.85 0.00 -1.28 -0.38 5.12 -1.26 -4.83 116.66 109.18 2jnc n ARG 47 Ca 0.15 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 56.01 2jnc n ARG 47 Cb 0.60 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.88 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 -0.03 -1.18 0.55 -2.24 -1.26 -4.92 114.28 105.19 2jnc n THR 48 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 2jnc n THR 48 Cb 0.00 -0.96 -0.02 0.00 -2.10 0.00 0.00 70.33 67.24 2jnc n THR 48 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2jnc n THR 49 N -2.96 3.62 -1.66 4.28 5.66 -1.26 -4.95 114.28 117.01 2jnc n THR 49 Ca -0.06 -2.26 -0.42 0.00 -3.05 0.00 0.00 64.05 58.26 2jnc n THR 49 Cb 0.24 -2.47 0.01 0.00 -1.55 0.00 0.00 70.33 66.56 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 3.98 2.37 0.00 1.09 0.00 -1.24 -3.90 119.36 121.66 2jnc n ILE 50 Ca 0.66 -0.50 0.00 0.00 0.00 0.00 0.00 62.75 62.91 2jnc n ILE 50 Cb 0.22 -1.36 0.00 0.00 0.00 0.00 0.00 39.64 38.50 2jnc n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jnc n GLY 51 N 0.98 0.41 2.17 4.50 0.00 -1.25 -4.73 105.19 107.27 2jnc n GLY 51 Ca 0.08 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 2jnc n GLY 51 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jnc n ASN 52 N 0.00 4.07 -1.01 1.61 5.15 -1.26 -2.87 115.26 120.95 2jnc n ASN 52 Ca 0.00 -2.23 -0.00 0.00 -0.60 0.00 0.00 54.58 51.75 2jnc n ASN 52 Cb 0.00 -1.06 0.00 0.00 -0.53 0.00 0.00 39.78 38.19 2jnc n ASN 52 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2jnc n PHE 53 N 2.77 -0.04 -0.40 1.20 -0.00 -1.25 -5.09 117.46 114.66 2jnc n PHE 53 Ca 0.34 -0.04 0.00 0.00 -0.00 0.00 0.00 57.45 57.75 2jnc n PHE 53 Cb 0.62 0.42 0.00 0.00 -0.00 0.00 0.00 39.48 40.51 2jnc n PHE 53 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2jnc n SER 54 N -0.03 -0.53 -4.18 -2.13 2.88 -1.14 -4.65 113.62 103.85 2jnc n SER 54 Ca -0.01 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.13 2jnc n SER 54 Cb 0.38 -0.27 -0.08 0.00 -0.75 0.00 0.00 64.21 63.50 2jnc n SER 54 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2jnc s GLY 55 N 0.00 2.39 0.82 0.46 0.00 -1.25 -3.59 107.32 106.15 2jnc s GLY 55 Ca 0.00 -3.04 -0.12 0.00 0.00 0.00 0.00 44.72 41.56 2jnc s GLY 55 CO 0.00 1.13 1.16 2.56 0.00 0.00 0.00 173.10 177.95 2jnc s PRO 56 N 0.42 1.88 0.65 2.90 0.04 -1.26 -4.87 135.00 134.76 2jnc s PRO 56 Ca 0.14 0.21 -0.05 0.00 0.04 0.00 0.00 61.00 61.34 2jnc s PRO 56 Cb -0.20 -1.93 0.14 0.00 0.04 0.00 0.00 34.50 32.55 2jnc s PRO 56 CO -0.04 -1.67 0.89 0.98 0.04 0.00 0.00 177.00 177.20 2jnc n TYR 57 N -3.39 -3.36 -1.51 0.56 9.36 -1.26 -4.94 117.16 112.61 2jnc n TYR 57 Ca 0.07 -1.25 -0.45 0.00 3.32 0.00 0.00 57.90 59.59 2jnc n TYR 57 Cb 0.60 -0.67 -0.06 0.00 -0.63 0.00 0.00 39.34 38.59 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 -2.88 0.17 -3.97 2.97 -1.04 -1.26 -4.89 114.28 103.39 2jnc n THR 58 Ca 0.13 -0.40 -0.13 0.00 -2.04 0.00 0.00 64.05 61.62 2jnc n THR 58 Cb 0.47 -2.05 -0.02 0.00 -1.82 0.00 0.00 70.33 66.91 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 11.54 -1.57 -0.54 -1.42 4.01 -1.26 -4.83 117.16 123.09 2jnc n TYR 59 Ca 0.39 -2.11 -0.28 0.00 -0.16 0.00 0.00 57.90 55.73 2jnc n TYR 59 Cb 0.34 0.59 0.25 0.00 -0.31 0.00 0.00 39.34 40.20 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 -2.50 4.08 -0.25 0.00 3.84 -1.26 -3.55 114.94 115.29 2jnc s ASN 61 Ca 0.68 -0.69 -0.29 0.00 0.21 0.00 0.00 52.86 52.78 2jnc s ASN 61 Cb -0.25 -0.61 0.00 0.00 -0.55 0.00 0.00 41.25 39.84 2jnc s ASN 61 CO 0.64 0.09 1.20 -0.89 -2.79 0.00 0.00 177.10 175.34 2jnc s THR 62 N -1.87 4.35 0.35 -5.21 2.01 -1.21 -4.30 115.64 109.77 2jnc s THR 62 Ca 0.26 1.59 -0.00 0.00 0.31 0.00 0.00 61.69 63.84 2jnc s THR 62 Cb -0.08 -4.19 -0.00 0.00 0.01 0.00 0.00 72.50 68.24 2jnc s THR 62 CO 0.15 -0.33 0.45 0.28 -0.69 0.00 0.00 174.62 174.48 2jnc s THR 63 N 3.76 0.00 0.18 -0.82 -1.32 -0.47 0.10 115.64 117.07 2jnc s THR 63 Ca 0.51 -1.68 0.06 0.00 -1.21 0.00 0.00 61.69 59.37 2jnc s THR 63 Cb -0.17 -2.64 -0.04 0.00 -1.51 0.00 0.00 72.50 68.14 2jnc s THR 63 CO 0.16 0.00 0.14 -0.22 -2.21 0.00 0.00 174.62 172.49 2jnc s LEU 64 N -3.28 3.77 -0.41 9.08 1.98 -1.25 0.12 118.68 128.70 2jnc s LEU 64 Ca 0.33 -0.17 0.06 0.00 -2.89 0.00 0.00 54.13 51.45 2jnc s LEU 64 Cb -0.00 -2.37 0.20 0.00 0.66 0.00 0.00 46.19 44.68 2jnc s LEU 64 CO 0.23 0.05 0.41 -0.67 -1.89 0.00 0.00 176.35 174.48 2jnc n ASP 65 N -0.49 -0.20 0.00 3.68 -0.08 -1.23 -4.78 116.55 113.45 2jnc n ASP 65 Ca -0.08 -2.50 0.00 0.00 -1.51 0.00 0.00 54.79 50.69 2jnc n ASP 65 Cb 0.55 -0.59 0.00 0.00 2.34 0.00 0.00 41.12 43.43 2jnc n ASP 65 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 2jnc n GLN 66 N 2.28 0.00 -2.36 -0.67 0.00 -1.26 -4.78 117.38 110.59 2jnc n GLN 66 Ca 0.26 0.00 -0.34 0.00 -0.00 0.00 0.00 57.00 56.92 2jnc n GLN 66 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.72 2jnc n GLN 66 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2jnc s ILE 67 N 0.00 3.62 -0.51 1.69 -1.09 -1.26 -4.87 121.20 118.78 2jnc s ILE 67 Ca 0.00 0.95 -0.03 0.00 -2.23 0.00 0.00 60.65 59.34 2jnc s ILE 67 Cb 0.00 -3.39 -0.03 0.00 -1.58 0.00 0.00 42.46 37.46 2jnc s ILE 67 CO 0.00 -0.27 1.63 0.61 -1.23 0.00 0.00 174.94 175.68 2jnc n GLY 68 N -0.28 2.47 2.99 6.18 0.00 -1.26 -4.77 105.19 110.51 2jnc n GLY 68 Ca 0.10 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 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 4.02 0.77 -0.24 2.61 -1.32 -1.26 -5.09 115.64 115.12 2jnc s THR 69 Ca 0.23 -0.34 -0.09 0.00 -1.21 0.00 0.00 61.69 60.27 2jnc s THR 69 Cb 0.06 -0.69 -0.04 0.00 -1.51 0.00 0.00 72.50 70.32 2jnc s THR 69 CO -0.02 0.24 0.13 0.00 -2.21 0.00 0.00 174.62 172.76 2jnc s TRP 71 N 1.28 3.43 0.00 0.00 0.52 0.31 -4.83 118.94 119.64 2jnc s TRP 71 Ca 0.06 -1.53 0.00 0.00 0.02 0.00 0.00 56.10 54.65 2jnc s TRP 71 Cb -0.14 -3.81 0.00 0.00 -1.15 0.00 0.00 33.47 28.36 2jnc s TRP 71 CO 0.05 -1.02 0.00 -0.35 0.02 0.00 0.00 176.95 175.66 2jnc n PRO 72 N 4.83 -0.41 -1.96 4.98 -0.04 -1.26 -1.36 135.00 139.77 2jnc n PRO 72 Ca -0.04 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.04 2jnc n PRO 72 Cb 0.43 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.91 2jnc n PRO 72 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2jnc s GLN 73 N -2.52 3.28 0.00 0.54 0.00 -1.23 -4.37 119.66 115.36 2jnc s GLN 73 Ca 0.00 2.03 0.00 0.00 -0.00 0.00 0.00 55.36 57.39 2jnc s GLN 73 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 33.01 30.77 2jnc s GLN 73 CO 0.00 -1.01 0.00 0.45 0.00 0.00 0.00 175.29 174.73 2jnc n SER 74 N -0.97 0.00 0.00 12.60 2.88 -1.26 -4.82 113.62 122.04 2jnc n SER 74 Ca 0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 2jnc n SER 74 Cb 0.47 0.07 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 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 -1.54 0.00 -1.85 -1.46 0.00 -1.26 -4.67 120.51 109.74 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 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.05 3.58 0.00 0.00 0.04 -1.26 -3.14 135.00 133.17 2jnc s PRO 76 Ca 0.00 1.93 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2jnc s PRO 76 Cb 0.00 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.35 2jnc s PRO 76 CO 0.00 -1.58 0.00 0.41 0.04 0.00 0.00 177.00 175.87 2jnc n GLY 77 N 5.11 0.53 3.14 0.56 0.00 0.40 -4.43 105.19 110.51 2jnc n GLY 77 Ca 0.23 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.84 -0.69 -0.09 4.61 0.00 0.23 -4.81 121.76 119.18 2jnc s ALA 78 Ca 0.00 0.91 -0.18 0.00 0.00 0.00 0.00 51.96 52.69 2jnc s ALA 78 Cb 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 2jnc s ALA 78 CO 0.00 -0.16 0.47 -1.17 0.00 0.00 0.00 175.76 174.90 2jnc s LEU 79 N 0.56 4.32 -0.16 0.00 0.20 -1.26 0.21 118.68 122.54 2jnc s LEU 79 Ca -0.03 0.86 -0.00 0.00 0.69 0.00 0.00 54.13 55.64 2jnc s LEU 79 Cb -0.05 -2.69 -0.00 0.00 -0.43 0.00 0.00 46.19 43.02 2jnc s LEU 79 CO -0.03 0.06 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.26 2jnc s VAL 80 N 0.30 2.71 0.40 1.68 1.01 0.62 -4.92 120.40 122.20 2jnc s VAL 80 Ca 0.26 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.57 2jnc s VAL 80 Cb -0.16 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.07 2jnc s VAL 80 CO 0.11 0.51 0.53 -1.61 0.00 0.00 0.00 175.10 174.64 2jnc s GLU 81 N 0.91 2.86 -0.27 2.72 8.01 -1.25 0.10 118.70 131.78 2jnc s GLU 81 Ca -0.03 -1.22 -0.27 0.00 0.01 0.00 0.00 54.97 53.46 2jnc s GLU 81 Cb -0.15 -2.74 0.17 0.00 -4.31 0.00 0.00 34.13 27.10 2jnc s GLU 81 CO -0.01 -0.19 1.30 -0.98 0.01 0.00 0.00 175.26 175.39 2jnc s ARG 82 N -4.29 0.19 -0.36 1.61 1.70 -0.97 -4.87 118.95 111.96 2jnc s ARG 82 Ca 0.52 0.14 -0.41 0.00 -0.47 0.00 0.00 55.73 55.51 2jnc s ARG 82 Cb -0.09 0.09 -0.16 0.00 -0.57 0.00 0.00 34.95 34.22 2jnc s ARG 82 CO 0.32 -0.04 1.85 -0.35 -1.08 0.00 0.00 175.30 176.00 2jnc n PRO 83 N 1.23 0.80 -1.08 3.89 -0.04 -1.26 0.27 135.00 138.81 2jnc n PRO 83 Ca -0.07 0.28 -0.36 0.00 -0.04 0.00 0.00 63.50 63.31 2jnc n PRO 83 Cb 0.57 -1.98 0.06 0.00 -0.04 0.00 0.00 33.50 32.11 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 0.38 0.81 0.00 0.00 -0.04 -1.26 -4.76 135.00 130.13 2jnc n PRO 85 Ca 0.05 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2jnc n PRO 85 Cb 0.52 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 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 8.43 2.50 -0.34 0.54 2.13 -1.21 -0.58 120.64 132.11 2jnc n GLU 86 Ca 0.46 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 58.03 2jnc n GLU 86 Cb 0.25 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.90 2jnc n GLU 86 CO 0.00 0.00 0.00 2.48 -0.41 0.00 0.00 177.13 179.20 2jnc n TYR 87 N 0.00 0.00 0.89 4.31 4.11 -1.25 -3.71 117.16 121.52 2jnc n TYR 87 Ca 0.00 -0.46 0.10 0.00 -0.00 0.00 0.00 57.90 57.54 2jnc n TYR 87 Cb 0.00 -0.66 -0.04 0.00 -0.00 0.00 0.00 39.34 38.64 2jnc n TYR 87 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.86 178.05 2jnc n PHE 88 N 7.08 0.00 -2.57 -3.48 3.01 -1.26 -4.46 117.46 115.79 2jnc n PHE 88 Ca 0.26 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.63 2jnc n PHE 88 Cb 0.25 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.75 2jnc n PHE 88 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2jnc n ASN 89 N -0.52 2.69 -3.65 4.37 5.15 -1.26 -4.97 115.26 117.08 2jnc n ASN 89 Ca 0.07 -2.65 -0.24 0.00 -0.60 0.00 0.00 54.58 51.15 2jnc n ASN 89 Cb 0.38 -0.44 0.07 0.00 -0.53 0.00 0.00 39.78 39.26 2jnc n ASN 89 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jnc n GLY 90 N -0.59 -0.51 3.05 8.20 0.00 -1.26 -5.00 105.19 109.07 2jnc n GLY 90 Ca 0.20 0.23 -0.22 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.33 0.97 -0.41 -0.61 -5.25 -1.26 -5.10 121.20 106.21 2jnc s ILE 91 Ca 0.53 -0.48 0.02 0.00 -0.99 0.00 0.00 60.65 59.73 2jnc s ILE 91 Cb -0.24 -0.84 0.15 0.00 2.95 0.00 0.00 42.46 44.48 2jnc s ILE 91 CO 0.75 0.29 0.28 -0.75 -1.79 0.00 0.00 174.94 173.72 2jnc s LYS 92 N 0.02 0.89 0.00 0.37 2.36 -1.26 -3.81 119.74 118.31 2jnc s LYS 92 Ca -0.01 -1.82 0.00 0.00 -2.55 0.00 0.00 55.97 51.59 2jnc s LYS 92 Cb -0.08 -1.62 0.00 0.00 -1.05 0.00 0.00 37.83 35.08 2jnc s LYS 92 CO 0.01 -1.27 0.00 2.48 1.55 0.00 0.00 175.35 178.11 2jnc n TYR 93 N 3.43 -0.09 -2.95 4.03 4.11 -1.26 -5.02 117.16 119.40 2jnc n TYR 93 Ca 0.18 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 57.88 2jnc n TYR 93 Cb 0.40 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.71 2jnc n TYR 93 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 2jnc n ASN 94 N -0.09 -0.79 -2.26 9.48 2.85 -1.26 -4.73 115.26 118.46 2jnc n ASN 94 Ca 0.00 -0.59 -0.17 0.00 -0.11 0.00 0.00 54.58 53.71 2jnc n ASN 94 Cb 0.00 -0.75 -0.14 0.00 1.24 0.00 0.00 39.78 40.13 2jnc n ASN 94 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 2jnc n THR 95 N -2.19 3.27 -2.62 -0.44 -1.04 -1.26 -4.36 114.28 105.63 2jnc n THR 95 Ca 0.05 -1.72 -0.19 0.00 -2.04 0.00 0.00 64.05 60.15 2jnc n THR 95 Cb 0.22 -2.12 0.01 0.00 -1.82 0.00 0.00 70.33 66.61 2jnc n THR 95 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2jnc n THR 96 N 2.71 1.71 -4.17 12.58 -2.24 -1.26 -5.07 114.28 118.55 2jnc n THR 96 Ca 0.50 -4.19 -0.12 0.00 -2.27 0.00 0.00 64.05 57.97 2jnc n THR 96 Cb 0.78 -0.43 -0.09 0.00 -2.10 0.00 0.00 70.33 68.49 2jnc n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2jnc s ARG 97 N -3.30 1.33 -0.00 -0.78 0.52 -1.26 -5.10 118.95 110.35 2jnc s ARG 97 Ca 0.39 -1.60 -0.08 0.00 -0.52 0.00 0.00 55.73 53.92 2jnc s ARG 97 Cb 0.41 0.31 0.00 0.00 0.52 0.00 0.00 34.95 36.20 2jnc s ARG 97 CO -0.09 -0.47 0.16 -0.80 0.02 0.00 0.00 175.30 174.12 2jnc s ASN 98 N -3.15 -0.01 -0.52 0.23 -0.87 -1.26 -2.49 114.94 106.87 2jnc s ASN 98 Ca 0.36 -0.15 -0.21 0.00 -1.57 0.00 0.00 52.86 51.29 2jnc s ASN 98 Cb 0.05 0.22 0.05 0.00 -0.02 0.00 0.00 41.25 41.56 2jnc s ASN 98 CO 0.13 -0.36 0.73 0.00 -2.57 0.00 0.00 177.10 175.02 2jnc s ALA 99 N -1.30 3.31 -0.55 0.60 0.00 0.76 -4.60 121.76 119.97 2jnc s ALA 99 Ca -0.14 -1.55 -0.22 0.00 0.00 0.00 0.00 51.96 50.05 2jnc s ALA 99 Cb -0.07 -3.47 0.05 0.00 0.00 0.00 0.00 23.12 19.63 2jnc s ALA 99 CO 0.02 -2.11 0.85 0.71 0.00 0.00 0.00 175.76 175.23 2jnc s TYR 100 N 3.05 2.85 -0.20 0.00 1.51 -1.26 -2.28 117.35 121.02 2jnc s TYR 100 Ca 0.20 -0.25 -0.08 0.00 -1.01 0.00 0.00 57.07 55.93 2jnc s TYR 100 Cb -0.17 -3.95 -0.04 0.00 -0.11 0.00 0.00 41.96 37.69 2jnc s TYR 100 CO 0.15 -1.30 0.08 0.50 -1.11 0.00 0.00 175.55 173.86 2jnc s ARG 101 N 3.57 3.92 -0.09 -0.62 6.06 0.28 -2.58 118.95 129.49 2jnc s ARG 101 Ca 0.25 -0.37 -0.06 0.00 -2.50 0.00 0.00 55.73 53.05 2jnc s ARG 101 Cb -0.15 -3.28 -0.04 0.00 0.06 0.00 0.00 34.95 31.54 2jnc s ARG 101 CO 0.16 0.15 0.16 -2.00 -2.50 0.00 0.00 175.30 171.26 2jnc s GLU 102 N 0.73 3.46 -0.43 5.12 2.12 -1.22 0.23 118.70 128.71 2jnc s GLU 102 Ca 0.04 -0.15 -0.04 0.00 0.36 0.00 0.00 54.97 55.18 2jnc s GLU 102 Cb -0.13 -3.17 0.11 0.00 0.26 0.00 0.00 34.13 31.21 2jnc s GLU 102 CO 0.02 0.75 0.23 0.00 -0.54 0.00 0.00 175.26 175.72 2jnc n LEU 104 N 4.56 0.53 -0.09 0.00 7.99 0.12 0.15 117.00 130.26 2jnc n LEU 104 Ca -0.02 1.11 0.26 0.00 -0.01 0.00 0.00 56.01 57.35 2jnc n LEU 104 Cb 0.41 -1.15 0.71 0.00 -0.11 0.00 0.00 43.42 43.28 2jnc n LEU 104 CO 0.34 -2.16 1.24 1.05 -1.51 0.00 0.00 177.39 176.35 2jnc h GLU 105 N 1.47 0.00 0.00 3.23 9.09 -1.87 0.96 114.58 127.45 2jnc h GLU 105 Ca -0.36 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.05 2jnc h GLU 105 Cb 1.38 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.48 2jnc h GLU 105 CO 0.58 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.73 2jnc n ASN 106 N -3.91 0.00 0.00 3.06 3.02 -1.26 -4.30 115.26 111.87 2jnc n ASN 106 Ca 0.15 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 2jnc n ASN 106 Cb 0.91 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 2jnc n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jnc n GLY 107 N 0.57 0.65 3.89 7.41 0.00 0.33 -5.07 105.19 112.98 2jnc n GLY 107 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.11 4.83 -0.28 2.61 -4.23 -1.19 -4.74 115.64 110.53 2jnc s THR 108 Ca 0.00 0.47 -0.10 0.00 -1.18 0.00 0.00 61.69 60.89 2jnc s THR 108 Cb 0.00 -3.86 -0.03 0.00 1.34 0.00 0.00 72.50 69.95 2jnc s THR 108 CO 0.00 -0.93 0.14 0.26 -0.54 0.00 0.00 174.62 173.56 2jnc s TRP 109 N -2.87 3.16 -0.19 3.99 0.23 -1.26 0.11 118.94 122.12 2jnc s TRP 109 Ca 0.50 -0.21 -0.22 0.00 -2.03 0.00 0.00 56.10 54.14 2jnc s TRP 109 Cb -0.11 -2.33 -0.02 0.00 0.03 0.00 0.00 33.47 31.04 2jnc s TRP 109 CO 0.47 -0.29 0.68 0.00 0.96 0.00 0.00 176.95 178.76 2jnc s ALA 110 N 1.68 3.53 -0.21 0.98 0.00 0.39 -4.94 121.76 123.20 2jnc s ALA 110 Ca 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 51.96 51.83 2jnc s ALA 110 Cb -0.16 -3.03 0.15 0.00 0.00 0.00 0.00 23.12 20.08 2jnc s ALA 110 CO 0.08 -0.57 1.96 0.43 0.00 0.00 0.00 175.76 177.65 2jnc n SER 111 N 5.08 5.88 -1.64 0.00 7.64 -1.26 -3.40 113.62 125.92 2jnc n SER 111 Ca 0.00 -2.82 -0.11 0.00 1.01 0.00 0.00 58.87 56.95 2jnc n SER 111 Cb 0.49 -1.04 0.12 0.00 -1.01 0.00 0.00 64.21 62.78 2jnc n SER 111 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2jnc n ARG 112 N 0.67 1.97 -1.40 1.43 0.63 -1.26 -4.95 116.66 113.75 2jnc n ARG 112 Ca 0.20 -1.74 -0.52 0.00 -0.92 0.00 0.00 57.85 54.86 2jnc n ARG 112 Cb 0.58 -1.72 -0.09 0.00 0.45 0.00 0.00 32.46 31.68 2jnc n ARG 112 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 2jnc n VAL 113 N -0.31 0.12 -0.56 5.15 3.14 -1.19 -4.72 118.33 119.96 2jnc n VAL 113 Ca 0.31 -0.19 -0.17 0.00 -2.96 0.00 0.00 64.34 61.33 2jnc n VAL 113 Cb 1.11 -1.32 -0.01 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 9.41 3.75 -0.06 6.55 5.15 -1.07 -4.03 115.26 134.96 2jnc n ASN 114 Ca 0.46 -2.24 -0.07 0.00 -0.60 0.00 0.00 54.58 52.12 2jnc n ASN 114 Cb 0.16 -0.95 -0.09 0.00 -0.53 0.00 0.00 39.78 38.36 2jnc n ASN 114 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jnc n TYR 115 N 4.39 0.00 0.28 1.20 4.11 -1.26 -4.29 117.16 121.59 2jnc n TYR 115 Ca 0.34 0.00 0.18 0.00 -0.00 0.00 0.00 57.90 58.42 2jnc n TYR 115 Cb 0.10 -0.61 0.95 0.00 -0.00 0.00 0.00 39.34 39.77 2jnc n TYR 115 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2jnc h SER 116 N 0.00 0.00 0.17 9.48 0.87 -1.98 -1.98 113.55 120.11 2jnc h SER 116 Ca -0.34 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 59.88 2jnc h SER 116 Cb 1.72 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.69 2jnc h SER 116 CO 0.00 0.00 -1.73 0.45 -0.53 0.00 0.00 176.83 175.02 2jnc h HIS 117 N 0.00 0.67 -2.75 2.24 3.86 -1.90 -3.46 115.15 113.81 2jnc h HIS 117 Ca 0.03 -0.49 -0.55 0.00 -1.16 0.00 0.00 60.37 58.21 2jnc h HIS 117 Cb 0.28 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 2jnc h HIS 117 CO 0.00 1.68 0.98 0.00 0.86 0.00 0.00 177.93 181.45 2jnc n GLU 119 N 6.35 1.28 -1.62 0.00 4.71 -1.26 -4.70 120.64 125.39 2jnc n GLU 119 Ca 0.15 0.45 -0.63 0.00 -0.01 0.00 0.00 57.16 57.12 2jnc n GLU 119 Cb 0.43 -1.80 -0.09 0.00 -1.01 0.00 0.00 31.44 28.97 2jnc n GLU 119 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 2jnc n PRO 120 N 0.76 0.00 0.00 3.49 -0.01 -1.26 -5.00 135.00 132.99 2jnc n PRO 120 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.59 2jnc n PRO 120 Cb 0.31 -1.49 0.00 0.00 -0.01 0.00 0.00 33.50 32.31 2jnc n PRO 120 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 175.50 177.00