#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 -2.65 1.18 0.00 0.00 -3.43 -1.26 -5.06 115.29 104.07 2jnc s HIS 46 Ca 0.37 -0.67 0.00 0.00 -0.80 0.00 0.00 55.06 53.96 2jnc s HIS 46 Cb 0.06 -2.41 0.00 0.00 -1.43 0.00 0.00 32.58 28.81 2jnc s HIS 46 CO 0.19 -1.45 0.00 -2.13 -2.00 0.00 0.00 174.74 169.35 2jnc n ARG 47 N -2.48 0.00 -3.65 -0.38 0.63 -1.26 -4.40 116.66 105.12 2jnc n ARG 47 Ca 0.17 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.86 2jnc n ARG 47 Cb 0.62 -0.12 0.01 0.00 0.45 0.00 0.00 32.46 33.42 2jnc n ARG 47 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2jnc n THR 48 N -2.54 -5.34 -0.51 5.15 5.66 -1.26 -4.40 114.28 111.03 2jnc n THR 48 Ca 0.00 -0.37 -0.30 0.00 -3.05 0.00 0.00 64.05 60.32 2jnc n THR 48 Cb 0.09 -4.06 0.28 0.00 -1.55 0.00 0.00 70.33 65.09 2jnc n THR 48 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2jnc s THR 49 N -3.18 1.37 0.99 1.09 -4.23 -1.26 -4.96 115.64 105.48 2jnc s THR 49 Ca 0.18 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.55 2jnc s THR 49 Cb -0.08 -2.14 0.06 0.00 1.34 0.00 0.00 72.50 71.69 2jnc s THR 49 CO 0.87 0.00 0.35 0.00 -0.54 0.00 0.00 174.62 175.30 2jnc n ILE 50 N -5.41 0.00 0.00 2.99 0.13 -1.26 -5.02 119.36 110.79 2jnc n ILE 50 Ca 0.11 -0.22 0.00 0.00 -1.10 0.00 0.00 62.75 61.55 2jnc n ILE 50 Cb 0.59 -0.64 0.00 0.00 -0.84 0.00 0.00 39.64 38.75 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 1.57 -0.67 2.86 4.50 0.00 -1.26 -4.64 105.19 107.54 2jnc n GLY 51 Ca 0.05 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 3.69 -3.47 1.61 5.03 -1.26 -4.72 115.26 116.14 2jnc n ASN 52 Ca 0.00 -2.52 -0.02 0.00 0.87 0.00 0.00 54.58 52.91 2jnc n ASN 52 Cb 0.00 -1.13 0.02 0.00 -1.02 0.00 0.00 39.78 37.65 2jnc n ASN 52 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 2jnc s PHE 53 N 4.19 0.05 -0.35 3.10 5.36 -1.26 -5.09 117.98 123.98 2jnc s PHE 53 Ca 0.49 -0.39 0.14 0.00 -0.96 0.00 0.00 56.93 56.22 2jnc s PHE 53 Cb 0.12 0.67 0.43 0.00 -0.34 0.00 0.00 43.02 43.90 2jnc s PHE 53 CO 0.04 -0.78 1.06 -1.13 -1.46 0.00 0.00 175.22 172.95 2jnc n SER 54 N -1.14 0.26 -2.66 6.13 3.41 -1.26 -4.80 113.62 113.56 2jnc n SER 54 Ca -0.02 -2.69 -0.04 0.00 -0.26 0.00 0.00 58.87 55.86 2jnc n SER 54 Cb 0.59 0.01 0.10 0.00 -0.26 0.00 0.00 64.21 64.65 2jnc n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jnc n GLY 55 N -0.18 -1.71 0.00 5.00 0.00 -1.26 -5.16 105.19 101.88 2jnc n GLY 55 Ca 0.06 0.97 0.00 0.00 0.00 0.00 0.00 46.02 47.06 2jnc n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jnc n PRO 56 N 1.04 1.31 0.00 1.61 -0.04 -1.26 -4.87 135.00 132.79 2jnc n PRO 56 Ca -0.02 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.49 2jnc n PRO 56 Cb 0.73 0.00 0.27 0.00 -0.04 0.00 0.00 33.50 34.46 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 -0.25 0.00 -0.99 0.54 4.19 -1.26 -4.85 117.16 114.55 2jnc n TYR 57 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 2jnc n TYR 57 Cb 0.00 -0.41 0.00 0.00 0.49 0.00 0.00 39.34 39.42 2jnc n TYR 57 CO 0.00 0.00 0.00 -2.37 0.91 0.00 0.00 176.86 175.40 2jnc n THR 58 N -1.41 0.00 -1.38 2.97 5.66 -1.26 -5.01 114.28 113.85 2jnc n THR 58 Ca 0.04 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.67 2jnc n THR 58 Cb 0.12 -0.04 0.05 0.00 -1.55 0.00 0.00 70.33 68.90 2jnc n THR 58 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jnc n TYR 59 N -2.47 -0.86 -1.61 1.09 0.18 -1.26 -3.60 117.16 108.63 2jnc n TYR 59 Ca 0.00 0.40 -0.46 0.00 1.88 0.00 0.00 57.90 59.72 2jnc n TYR 59 Cb 0.01 -1.93 -0.03 0.00 -0.38 0.00 0.00 39.34 37.02 2jnc n TYR 59 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2jnc s ASN 61 N -0.09 5.98 -0.52 0.00 2.47 -1.26 -3.64 114.94 117.88 2jnc s ASN 61 Ca 0.67 0.34 -0.34 0.00 0.42 0.00 0.00 52.86 53.95 2jnc s ASN 61 Cb -0.74 -1.85 -0.14 0.00 -1.45 0.00 0.00 41.25 37.07 2jnc s ASN 61 CO 0.54 0.38 2.33 0.41 -3.72 0.00 0.00 177.10 177.04 2jnc n THR 62 N 1.92 0.08 -4.09 -5.21 -1.04 -1.18 -4.65 114.28 100.11 2jnc n THR 62 Ca -0.19 -0.27 -0.05 0.00 -2.04 0.00 0.00 64.05 61.51 2jnc n THR 62 Cb 0.54 -1.48 -0.01 0.00 -1.82 0.00 0.00 70.33 67.56 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 7.32 0.00 -4.22 12.58 5.66 0.12 -4.22 114.28 131.52 2jnc n THR 63 Ca 0.47 -0.43 -0.23 0.00 -3.05 0.00 0.00 64.05 60.80 2jnc n THR 63 Cb 0.21 0.16 -0.03 0.00 -1.55 0.00 0.00 70.33 69.13 2jnc n THR 63 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2jnc n LEU 64 N 0.00 0.00 0.00 1.09 7.94 -1.26 0.11 117.00 124.88 2jnc n LEU 64 Ca -0.01 -2.41 -0.10 0.00 -1.11 0.00 0.00 56.01 52.38 2jnc n LEU 64 Cb 0.11 0.13 -0.03 0.00 0.53 0.00 0.00 43.42 44.16 2jnc n LEU 64 CO 0.06 -0.44 -0.06 -0.67 -1.11 0.00 0.00 177.39 175.17 2jnc n ASP 65 N -1.55 0.58 -0.12 1.96 -0.08 -0.85 -4.77 116.55 111.72 2jnc n ASP 65 Ca -0.09 -1.97 0.21 0.00 -1.51 0.00 0.00 54.79 51.43 2jnc n ASP 65 Cb 0.50 0.56 0.63 0.00 2.34 0.00 0.00 41.12 45.15 2jnc n ASP 65 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 2jnc h GLN 66 N 0.00 0.16 0.00 -0.67 5.75 -1.98 -3.43 115.11 114.95 2jnc h GLN 66 Ca -0.13 -0.01 -0.25 0.00 -0.15 0.00 0.00 58.65 58.11 2jnc h GLN 66 Cb 0.54 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.01 2jnc h GLN 66 CO 0.20 0.11 -0.17 0.44 -2.65 0.00 0.00 178.83 176.75 2jnc n ILE 67 N -4.40 0.00 -0.63 2.39 -5.35 -1.26 -5.00 119.36 105.12 2jnc n ILE 67 Ca 0.15 -0.92 -0.21 0.00 -0.27 0.00 0.00 62.75 61.49 2jnc n ILE 67 Cb 0.70 0.09 -0.02 0.00 -1.74 0.00 0.00 39.64 38.67 2jnc n ILE 67 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jnc n GLY 68 N 2.59 2.64 3.35 3.28 0.00 -1.26 -4.83 105.19 110.95 2jnc n GLY 68 Ca -0.07 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 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 4.10 2.59 -0.21 2.61 2.01 -1.26 -5.00 115.64 120.47 2jnc s THR 69 Ca 0.34 -0.86 -0.07 0.00 0.31 0.00 0.00 61.69 61.41 2jnc s THR 69 Cb 0.09 -2.01 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 2jnc s THR 69 CO 0.01 0.56 0.05 0.00 -0.69 0.00 0.00 174.62 174.55 2jnc s TRP 71 N 1.06 3.40 0.46 0.00 0.52 0.30 -4.92 118.94 119.77 2jnc s TRP 71 Ca 0.04 -2.74 -0.08 0.00 0.02 0.00 0.00 56.10 53.34 2jnc s TRP 71 Cb -0.14 -3.18 0.11 0.00 -1.15 0.00 0.00 33.47 29.11 2jnc s TRP 71 CO 0.03 -0.84 0.51 -0.35 0.02 0.00 0.00 176.95 176.32 2jnc n PRO 72 N 3.50 -1.18 -1.75 4.98 -0.04 -1.26 0.11 135.00 139.36 2jnc n PRO 72 Ca 0.07 -0.80 -0.43 0.00 -0.04 0.00 0.00 63.50 62.31 2jnc n PRO 72 Cb 0.38 -0.62 -0.03 0.00 -0.04 0.00 0.00 33.50 33.18 2jnc n PRO 72 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2jnc s GLN 73 N -4.13 3.45 0.00 0.54 1.11 -1.24 -4.44 119.66 114.95 2jnc s GLN 73 Ca 0.31 2.00 0.00 0.00 0.01 0.00 0.00 55.36 57.68 2jnc s GLN 73 Cb -0.02 -4.26 0.00 0.00 -1.01 0.00 0.00 33.01 27.72 2jnc s GLN 73 CO 0.22 -1.73 0.00 0.45 0.01 0.00 0.00 175.29 174.24 2jnc n SER 74 N 10.22 0.00 0.00 5.90 2.88 -1.26 -4.98 113.62 126.37 2jnc n SER 74 Ca 0.25 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2jnc n SER 74 Cb 0.44 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 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 -1.43 0.00 -1.72 -1.46 0.00 -1.26 -4.91 120.51 109.73 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 -0.63 3.62 0.00 0.00 0.04 -1.26 -3.38 135.00 133.39 2jnc s PRO 76 Ca 0.00 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2jnc s PRO 76 Cb 0.00 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.30 2jnc s PRO 76 CO 0.00 -1.54 0.00 0.41 0.04 0.00 0.00 177.00 175.91 2jnc n GLY 77 N 5.12 0.84 3.19 0.56 0.00 0.75 -4.33 105.19 111.32 2jnc n GLY 77 Ca 0.24 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.48 -0.82 -0.55 4.61 0.00 -0.09 -4.89 121.76 117.54 2jnc s ALA 78 Ca 0.00 1.15 -0.22 0.00 0.00 0.00 0.00 51.96 52.88 2jnc s ALA 78 Cb 0.00 -0.70 0.05 0.00 0.00 0.00 0.00 23.12 22.48 2jnc s ALA 78 CO 0.00 -0.20 0.85 -1.17 0.00 0.00 0.00 175.76 175.23 2jnc s LEU 79 N 0.89 4.43 -0.38 0.00 2.96 -1.26 0.97 118.68 126.28 2jnc s LEU 79 Ca -0.06 -0.63 -0.16 0.00 -0.22 0.00 0.00 54.13 53.06 2jnc s LEU 79 Cb -0.07 -2.65 0.01 0.00 0.50 0.00 0.00 46.19 43.98 2jnc s LEU 79 CO -0.07 -1.16 0.39 -0.69 -1.32 0.00 0.00 176.35 173.50 2jnc s VAL 80 N 3.55 5.14 0.44 1.68 1.01 0.41 -4.85 120.40 127.78 2jnc s VAL 80 Ca 0.24 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 2jnc s VAL 80 Cb -0.15 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2jnc s VAL 80 CO 0.15 -0.26 0.73 -0.70 0.00 0.00 0.00 175.10 175.03 2jnc s GLU 81 N 2.03 3.55 0.03 2.72 2.12 -1.26 -0.78 118.70 127.11 2jnc s GLU 81 Ca 0.11 0.12 -0.13 0.00 0.36 0.00 0.00 54.97 55.43 2jnc s GLU 81 Cb -0.17 -2.44 0.02 0.00 0.26 0.00 0.00 34.13 31.80 2jnc s GLU 81 CO 0.12 -0.11 0.27 0.50 -0.54 0.00 0.00 175.26 175.51 2jnc s ARG 82 N -4.55 0.73 0.19 4.30 3.00 0.83 -4.94 118.95 118.52 2jnc s ARG 82 Ca 0.46 -0.44 -0.32 0.00 -1.00 0.00 0.00 55.73 54.43 2jnc s ARG 82 Cb -0.10 0.32 -0.16 0.00 0.00 0.00 0.00 34.95 35.01 2jnc s ARG 82 CO 0.42 -0.22 1.06 -0.35 0.00 0.00 0.00 175.30 176.21 2jnc n PRO 83 N 0.83 1.02 -2.33 5.12 -0.04 -1.26 0.21 135.00 138.54 2jnc n PRO 83 Ca -0.20 0.36 -0.43 0.00 -0.04 0.00 0.00 63.50 63.20 2jnc n PRO 83 Cb 0.58 -1.78 -0.02 0.00 -0.04 0.00 0.00 33.50 32.24 2jnc n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jnc s PRO 85 N 4.17 2.05 0.18 0.00 0.04 -1.26 -4.78 135.00 135.39 2jnc s PRO 85 Ca 0.60 -0.24 -0.12 0.00 0.04 0.00 0.00 61.00 61.29 2jnc s PRO 85 Cb -0.20 -5.00 0.08 0.00 0.04 0.00 0.00 34.50 29.42 2jnc s PRO 85 CO 0.23 -4.14 1.74 1.05 0.04 0.00 0.00 177.00 175.92 2jnc h GLU 86 N 11.47 0.91 -2.35 4.56 4.11 -1.91 -3.23 114.58 128.13 2jnc h GLU 86 Ca 0.08 -0.16 -0.80 0.00 0.07 0.00 0.00 59.36 58.54 2jnc h GLU 86 Cb 0.99 -0.15 -0.26 0.00 0.50 0.00 0.00 28.75 29.83 2jnc h GLU 86 CO 1.12 0.77 1.15 0.98 0.07 0.00 0.00 179.01 183.10 2jnc n TYR 87 N -4.46 2.70 -2.02 2.06 4.19 -1.26 -4.01 117.16 114.37 2jnc n TYR 87 Ca 0.04 -2.59 0.04 0.00 3.31 0.00 0.00 57.90 58.70 2jnc n TYR 87 Cb 0.16 -1.27 0.05 0.00 0.49 0.00 0.00 39.34 38.77 2jnc n TYR 87 CO 0.00 0.00 0.00 1.19 0.91 0.00 0.00 176.86 178.96 2jnc n PHE 88 N 0.26 0.00 -3.49 2.98 3.01 -1.22 -5.08 117.46 113.92 2jnc n PHE 88 Ca 0.46 -0.50 -0.05 0.00 1.01 0.00 0.00 57.45 58.37 2jnc n PHE 88 Cb 0.27 -0.13 0.01 0.00 -0.01 0.00 0.00 39.48 39.62 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 -0.14 -1.04 0.29 4.37 4.13 -1.26 -5.01 115.26 116.60 2jnc n ASN 89 Ca 0.07 -1.83 0.19 0.00 1.68 0.00 0.00 54.58 54.68 2jnc n ASN 89 Cb 0.86 1.76 0.99 0.00 -1.54 0.00 0.00 39.78 41.85 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 0.99 0.00 -2.05 7.41 0.00 -1.98 -3.42 103.07 104.02 2jnc h GLY 90 Ca -0.16 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.56 2jnc h GLY 90 CO 0.21 0.00 -0.67 -0.26 0.00 0.00 0.00 176.54 175.81 2jnc s ILE 91 N -4.37 2.42 -0.44 2.60 -0.00 -1.26 -5.10 121.20 115.05 2jnc s ILE 91 Ca -0.05 -2.16 0.06 0.00 -0.00 0.00 0.00 60.65 58.50 2jnc s ILE 91 Cb 0.13 -2.64 0.20 0.00 -0.00 0.00 0.00 42.46 40.16 2jnc s ILE 91 CO 0.45 -0.24 0.55 2.29 -0.00 0.00 0.00 174.94 177.99 2jnc n LYS 92 N -0.81 0.47 -1.41 0.37 -0.00 -1.26 -4.38 118.16 111.14 2jnc n LYS 92 Ca -0.05 -2.73 0.00 0.00 -0.00 0.00 0.00 58.31 55.53 2jnc n LYS 92 Cb 0.62 -1.49 0.00 0.00 -0.00 0.00 0.00 35.03 34.17 2jnc n LYS 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2jnc n TYR 93 N 2.35 -0.51 -3.44 5.58 4.02 -1.26 -4.92 117.16 118.98 2jnc n TYR 93 Ca 0.22 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.76 2jnc n TYR 93 Cb 0.53 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.89 2jnc n TYR 93 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2jnc n ASN 94 N -1.86 -5.76 -3.38 7.72 5.15 -1.26 -4.57 115.26 111.30 2jnc n ASN 94 Ca 0.00 -0.08 -0.38 0.00 -0.60 0.00 0.00 54.58 53.53 2jnc n ASN 94 Cb 0.00 -2.00 0.01 0.00 -0.53 0.00 0.00 39.78 37.26 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 -0.15 5.11 1.00 -0.44 -2.24 -1.26 -4.68 114.28 111.62 2jnc n THR 95 Ca -0.07 -5.70 0.11 0.00 -2.27 0.00 0.00 64.05 56.13 2jnc n THR 95 Cb 0.66 -1.48 0.04 0.00 -2.10 0.00 0.00 70.33 67.45 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 -0.16 0.00 -3.68 4.28 -2.24 -1.26 -5.02 114.28 106.20 2jnc n THR 96 Ca 0.44 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2jnc n THR 96 Cb 0.30 1.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 2jnc n THR 96 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jnc n ARG 97 N 0.48 0.00 -3.04 -0.78 3.00 -1.26 -5.15 116.66 109.91 2jnc n ARG 97 Ca 0.11 0.00 -0.10 0.00 -0.01 0.00 0.00 57.85 57.85 2jnc n ARG 97 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.94 2jnc n ARG 97 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2jnc n ASN 98 N -2.22 0.14 -4.12 0.55 4.13 -1.26 -4.03 115.26 108.45 2jnc n ASN 98 Ca 0.00 -1.99 -0.33 0.00 1.68 0.00 0.00 54.58 53.94 2jnc n ASN 98 Cb 0.00 0.66 -0.15 0.00 -1.54 0.00 0.00 39.78 38.76 2jnc n ASN 98 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jnc s ALA 99 N -2.58 2.58 1.05 5.41 0.00 0.13 -4.70 121.76 123.65 2jnc s ALA 99 Ca 0.15 -1.59 -0.04 0.00 0.00 0.00 0.00 51.96 50.49 2jnc s ALA 99 Cb 0.01 -1.57 0.05 0.00 0.00 0.00 0.00 23.12 21.61 2jnc s ALA 99 CO 0.11 -0.95 0.17 0.66 0.00 0.00 0.00 175.76 175.75 2jnc n TYR 100 N 4.54 -2.93 0.00 0.00 4.01 -1.26 -0.12 117.16 121.40 2jnc n TYR 100 Ca -0.16 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.43 2jnc n TYR 100 Cb 0.45 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 2jnc n TYR 100 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2jnc n ARG 101 N -2.20 0.00 -3.20 -0.72 5.12 0.04 -1.75 116.66 113.96 2jnc n ARG 101 Ca 0.02 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.58 2jnc n ARG 101 Cb 0.10 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.34 2jnc n ARG 101 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2jnc s GLU 102 N 0.00 4.20 -0.20 5.56 2.12 0.20 0.15 118.70 130.74 2jnc s GLU 102 Ca 0.00 0.77 -0.05 0.00 0.36 0.00 0.00 54.97 56.05 2jnc s GLU 102 Cb 0.00 -3.03 -0.03 0.00 0.26 0.00 0.00 34.13 31.34 2jnc s GLU 102 CO 0.00 0.50 0.00 0.00 -0.54 0.00 0.00 175.26 175.22 2jnc s LEU 104 N 0.94 4.48 0.52 0.00 1.98 0.54 -0.18 118.68 126.97 2jnc s LEU 104 Ca 0.01 2.11 0.32 0.00 -2.89 0.00 0.00 54.13 53.68 2jnc s LEU 104 Cb -0.14 -3.60 1.46 0.00 0.66 0.00 0.00 46.19 44.56 2jnc s LEU 104 CO 0.02 -0.25 1.85 1.05 -1.89 0.00 0.00 176.35 177.13 2jnc h GLU 105 N 5.17 0.05 0.00 1.98 -0.00 -1.85 0.73 114.58 120.66 2jnc h GLU 105 Ca -0.44 -0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 58.86 2jnc h GLU 105 Cb 1.21 -0.01 -0.01 0.00 -0.00 0.00 0.00 28.75 29.94 2jnc h GLU 105 CO 0.73 0.03 -0.26 -0.97 -0.00 0.00 0.00 179.01 178.54 2jnc h ASN 106 N 0.05 0.00 0.00 3.06 -0.73 -1.91 -3.43 115.58 112.63 2jnc h ASN 106 Ca 0.49 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.66 2jnc h ASN 106 Cb 1.85 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.44 2jnc h ASN 106 CO -0.04 0.26 0.00 0.61 -0.37 0.00 0.00 177.43 177.90 2jnc n GLY 107 N 0.03 1.55 0.92 1.57 0.00 0.25 -4.82 105.19 104.69 2jnc n GLY 107 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 2jnc n GLY 107 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jnc n THR 108 N 0.00 0.00 -5.24 2.61 -2.24 -1.23 -4.43 114.28 103.74 2jnc n THR 108 Ca 0.00 -0.29 -0.31 0.00 -2.27 0.00 0.00 64.05 61.19 2jnc n THR 108 Cb 0.00 -1.65 -0.16 0.00 -2.10 0.00 0.00 70.33 66.42 2jnc n THR 108 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2jnc s TRP 109 N -1.27 2.33 0.15 4.78 0.52 -1.26 0.20 118.94 124.40 2jnc s TRP 109 Ca 0.17 -0.43 0.03 0.00 0.02 0.00 0.00 56.10 55.88 2jnc s TRP 109 Cb -0.01 -1.48 -0.01 0.00 -1.15 0.00 0.00 33.47 30.82 2jnc s TRP 109 CO 0.12 -0.01 0.09 0.00 0.02 0.00 0.00 176.95 177.17 2jnc n ALA 110 N 2.33 0.28 -3.37 0.98 0.00 0.46 -4.79 120.51 116.40 2jnc n ALA 110 Ca -0.16 -0.85 -0.17 0.00 0.00 0.00 0.00 53.44 52.26 2jnc n ALA 110 Cb 0.51 0.63 -0.05 0.00 0.00 0.00 0.00 19.45 20.55 2jnc n ALA 110 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jnc n SER 111 N -2.18 0.28 -3.07 0.00 7.64 -1.26 0.60 113.62 115.62 2jnc n SER 111 Ca 0.01 -0.65 -0.15 0.00 1.01 0.00 0.00 58.87 59.09 2jnc n SER 111 Cb 0.26 -0.81 0.13 0.00 -1.01 0.00 0.00 64.21 62.78 2jnc n SER 111 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2jnc n ARG 112 N -2.76 -2.95 -1.60 1.43 1.85 -1.26 -1.58 116.66 109.79 2jnc n ARG 112 Ca -0.13 -0.75 -0.58 0.00 -1.00 0.00 0.00 57.85 55.39 2jnc n ARG 112 Cb 0.34 -0.87 -0.08 0.00 -1.05 0.00 0.00 32.46 30.80 2jnc n ARG 112 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 2jnc n VAL 113 N -4.12 0.21 -0.05 8.89 3.14 -0.71 -4.27 118.33 121.41 2jnc n VAL 113 Ca 0.07 -0.08 -0.13 0.00 -2.96 0.00 0.00 64.34 61.23 2jnc n VAL 113 Cb 0.29 -1.14 -0.07 0.00 -1.06 0.00 0.00 33.84 31.85 2jnc n VAL 113 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 2jnc h ASN 114 N 8.31 0.33 0.00 6.55 -0.73 -1.87 -3.46 115.58 124.71 2jnc h ASN 114 Ca -0.37 -0.48 0.00 0.00 1.87 0.00 0.00 56.30 57.32 2jnc h ASN 114 Cb 1.34 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.83 2jnc h ASN 114 CO 0.99 0.74 0.00 -1.22 -0.37 0.00 0.00 177.43 177.58 2jnc n TYR 115 N -4.60 0.00 -0.22 0.67 4.01 -1.26 -4.36 117.16 111.40 2jnc n TYR 115 Ca -0.06 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.70 2jnc n TYR 115 Cb 0.35 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.51 2jnc n TYR 115 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2jnc h SER 116 N 0.00 0.01 0.04 7.72 0.02 -1.98 0.18 113.55 119.54 2jnc h SER 116 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2jnc h SER 116 Cb 0.00 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2jnc h SER 116 CO 0.00 0.00 0.00 1.41 -1.14 0.00 0.00 176.83 177.10 2jnc n HIS 117 N -5.13 0.62 -0.04 3.45 8.25 -1.26 -2.34 115.22 118.76 2jnc n HIS 117 Ca 0.11 0.32 -0.13 0.00 -0.26 0.00 0.00 57.72 57.76 2jnc n HIS 117 Cb 0.36 -1.01 -0.08 0.00 1.12 0.00 0.00 29.99 30.39 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 -4.70 -2.76 0.00 0.00 1.02 -0.99 -4.68 120.64 108.54 2jnc n GLU 119 Ca -0.07 2.06 0.00 0.00 -0.02 0.00 0.00 57.16 59.14 2jnc n GLU 119 Cb 0.29 -2.34 0.00 0.00 -0.02 0.00 0.00 31.44 29.37 2jnc n GLU 119 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2jnc n PRO 120 N -1.04 2.24 0.00 3.49 -0.04 -1.26 -4.61 135.00 133.78 2jnc n PRO 120 Ca 0.00 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 2jnc n PRO 120 Cb 0.03 0.00 0.78 0.00 -0.04 0.00 0.00 33.50 34.27 2jnc n PRO 120 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97