#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 -3.13 -3.85 -0.62 0.00 -0.00 -1.26 -5.03 115.22 101.33 2jnc n HIS 46 Ca 0.00 -0.41 -0.30 0.00 -0.00 0.00 0.00 57.72 57.01 2jnc n HIS 46 Cb 0.33 -0.38 0.19 0.00 -0.00 0.00 0.00 29.99 30.13 2jnc n HIS 46 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 2jnc n ARG 47 N -2.18 -1.12 -1.63 -1.40 3.00 -1.26 -4.99 116.66 107.08 2jnc n ARG 47 Ca 0.06 -0.28 0.01 0.00 -0.00 0.00 0.00 57.85 57.64 2jnc n ARG 47 Cb 0.21 -2.25 0.01 0.00 0.00 0.00 0.00 32.46 30.43 2jnc n ARG 47 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2jnc n THR 48 N -4.45 0.17 0.00 5.15 -2.24 -1.26 -4.77 114.28 106.88 2jnc n THR 48 Ca 0.08 -1.06 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 2jnc n THR 48 Cb 0.53 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 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 0.17 0.00 -2.45 4.28 5.66 -1.26 -4.32 114.28 116.36 2jnc n THR 49 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 2jnc n THR 49 Cb 1.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.78 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 0.00 0.00 0.08 1.09 0.13 -1.26 -2.66 119.36 116.73 2jnc n ILE 50 Ca 0.00 0.00 -0.12 0.00 -1.10 0.00 0.00 62.75 61.53 2jnc n ILE 50 Cb 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 39.64 38.75 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 0.00 -0.49 -5.00 4.50 0.00 -2.02 -3.42 103.07 96.65 2jnc h GLY 51 Ca 0.00 0.35 -0.15 0.00 0.00 0.00 0.00 47.33 47.53 2jnc h GLY 51 CO 0.00 -0.23 -0.12 -2.01 0.00 0.00 0.00 176.54 174.18 2jnc n ASN 52 N -5.40 -1.65 -3.58 0.19 5.15 -1.24 -5.06 115.26 103.68 2jnc n ASN 52 Ca -0.05 -2.50 -0.06 0.00 -0.60 0.00 0.00 54.58 51.37 2jnc n ASN 52 Cb 0.31 1.40 -0.02 0.00 -0.53 0.00 0.00 39.78 40.93 2jnc n ASN 52 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2jnc s PHE 53 N 0.15 -0.20 -0.99 1.20 5.36 -1.09 -5.05 117.98 117.36 2jnc s PHE 53 Ca 0.22 0.16 -0.02 0.00 -0.96 0.00 0.00 56.93 56.33 2jnc s PHE 53 Cb 0.29 0.51 0.26 0.00 -0.34 0.00 0.00 43.02 43.74 2jnc s PHE 53 CO -0.15 -0.28 2.07 -1.13 -1.46 0.00 0.00 175.22 174.28 2jnc n SER 54 N 0.00 7.46 0.00 6.13 3.41 -1.26 -4.17 113.62 125.19 2jnc n SER 54 Ca -0.03 -3.57 0.00 0.00 -0.26 0.00 0.00 58.87 55.01 2jnc n SER 54 Cb 0.59 -1.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 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 0.27 -2.87 3.58 5.00 0.00 -1.26 -4.76 105.19 105.16 2jnc n GLY 55 Ca 0.52 0.31 -0.28 0.00 0.00 0.00 0.00 46.02 46.57 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 -2.73 -0.36 0.00 1.61 0.04 -1.26 -5.07 135.00 127.23 2jnc s PRO 56 Ca 0.00 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.65 2jnc s PRO 56 Cb 0.00 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.90 2jnc s PRO 56 CO 0.00 -3.29 0.00 0.98 0.04 0.00 0.00 177.00 174.73 2jnc n TYR 57 N -4.58 -2.27 -0.49 0.56 9.36 -1.26 -4.93 117.16 113.54 2jnc n TYR 57 Ca 0.04 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.07 2jnc n TYR 57 Cb 0.56 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.24 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 -1.02 0.00 -4.23 2.97 -1.04 -1.26 -4.95 114.28 104.75 2jnc n THR 58 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 2jnc n THR 58 Cb 0.00 -0.13 -0.03 0.00 -1.82 0.00 0.00 70.33 68.35 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 1.10 0.20 -0.26 -1.42 4.02 -1.26 -4.37 117.16 115.16 2jnc n TYR 59 Ca 0.09 -0.99 0.00 0.00 -0.01 0.00 0.00 57.90 56.98 2jnc n TYR 59 Cb -0.01 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.26 2jnc n TYR 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jnc s ASN 61 N -1.11 2.24 -0.38 0.00 2.47 -1.15 -4.20 114.94 112.81 2jnc s ASN 61 Ca 0.00 -0.35 -0.39 0.00 0.42 0.00 0.00 52.86 52.55 2jnc s ASN 61 Cb 0.00 -0.92 -0.14 0.00 -1.45 0.00 0.00 41.25 38.74 2jnc s ASN 61 CO 0.00 -0.08 2.10 0.41 -3.72 0.00 0.00 177.10 175.82 2jnc n THR 62 N 4.72 0.15 -4.35 -5.21 -1.04 -1.23 -4.56 114.28 102.75 2jnc n THR 62 Ca -0.15 -0.15 -0.18 0.00 -2.04 0.00 0.00 64.05 61.53 2jnc n THR 62 Cb 0.50 -1.23 -0.10 0.00 -1.82 0.00 0.00 70.33 67.68 2jnc n THR 62 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2jnc s THR 63 N 6.34 0.78 -0.01 12.58 -1.32 0.21 -4.87 115.64 129.35 2jnc s THR 63 Ca 1.11 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 59.60 2jnc s THR 63 Cb -1.09 -2.63 -0.00 0.00 -1.51 0.00 0.00 72.50 67.28 2jnc s THR 63 CO 0.57 -0.05 -0.05 -0.22 -2.21 0.00 0.00 174.62 172.66 2jnc s LEU 64 N -3.35 1.94 -0.19 9.08 1.98 -1.26 0.20 118.68 127.07 2jnc s LEU 64 Ca 0.36 -0.09 -0.03 0.00 -2.89 0.00 0.00 54.13 51.48 2jnc s LEU 64 Cb 0.08 -0.27 0.06 0.00 0.66 0.00 0.00 46.19 46.72 2jnc s LEU 64 CO 0.13 0.05 0.05 -0.62 -1.89 0.00 0.00 176.35 174.07 2jnc s ASP 65 N -0.02 2.84 0.00 3.68 -1.08 -1.26 -5.03 116.67 115.80 2jnc s ASP 65 Ca 0.01 -0.81 0.00 0.00 -0.52 0.00 0.00 52.55 51.23 2jnc s ASP 65 Cb -0.03 -0.52 0.00 0.00 -1.46 0.00 0.00 42.92 40.91 2jnc s ASP 65 CO -0.00 -0.32 0.00 0.00 0.52 0.00 0.00 175.17 175.37 2jnc n GLN 66 N 5.10 0.00 -1.42 4.34 6.02 -1.26 -4.76 117.38 125.40 2jnc n GLN 66 Ca -0.08 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.59 2jnc n GLN 66 Cb 0.47 0.00 0.08 0.00 1.02 0.00 0.00 30.24 31.81 2jnc n GLN 66 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 2jnc s ILE 67 N 0.00 3.26 -0.15 5.09 -4.36 -1.26 -4.86 121.20 118.91 2jnc s ILE 67 Ca 0.00 0.47 -0.03 0.00 -0.26 0.00 0.00 60.65 60.83 2jnc s ILE 67 Cb 0.00 -2.96 -0.11 0.00 1.25 0.00 0.00 42.46 40.64 2jnc s ILE 67 CO 0.00 -0.47 1.95 0.61 0.24 0.00 0.00 174.94 177.27 2jnc n GLY 68 N -0.92 2.12 2.93 6.27 0.00 -1.26 -4.69 105.19 109.64 2jnc n GLY 68 Ca 0.10 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 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 2.38 1.70 0.08 2.61 2.01 -1.26 -5.06 115.64 118.10 2jnc s THR 69 Ca 0.32 -1.72 -0.24 0.00 0.31 0.00 0.00 61.69 60.36 2jnc s THR 69 Cb 0.14 -2.14 -0.06 0.00 0.01 0.00 0.00 72.50 70.44 2jnc s THR 69 CO -0.01 -0.43 0.71 0.00 -0.69 0.00 0.00 174.62 174.21 2jnc s TRP 71 N -0.61 3.50 0.00 0.00 0.52 0.54 -4.92 118.94 117.97 2jnc s TRP 71 Ca 0.35 -2.50 0.00 0.00 0.02 0.00 0.00 56.10 53.97 2jnc s TRP 71 Cb -0.21 -3.24 0.00 0.00 -1.15 0.00 0.00 33.47 28.87 2jnc s TRP 71 CO 0.23 -0.92 0.00 -2.30 0.02 0.00 0.00 176.95 173.98 2jnc n PRO 72 N 4.12 -1.56 -2.39 4.98 -0.02 -1.26 0.67 135.00 139.53 2jnc n PRO 72 Ca 0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.08 2jnc n PRO 72 Cb 0.40 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.87 2jnc n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jnc n GLN 73 N -1.72 3.04 0.00 -0.52 10.64 -1.26 -3.72 117.38 123.84 2jnc n GLN 73 Ca 0.00 -3.11 0.00 0.00 -1.83 0.00 0.00 57.00 52.06 2jnc n GLN 73 Cb 0.00 -3.47 0.00 0.00 -0.86 0.00 0.00 30.24 25.91 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 8.33 0.00 0.00 2.61 2.88 -1.26 -3.92 113.62 122.25 2jnc n SER 74 Ca 0.49 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 2jnc n SER 74 Cb 0.45 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 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 -0.71 0.00 -1.59 -1.46 0.00 -1.26 -4.28 120.51 111.21 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 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.28 1.95 -1.11 0.00 -0.04 -1.26 -3.33 135.00 130.93 2jnc n PRO 76 Ca 0.00 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 2jnc n PRO 76 Cb 0.00 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.38 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 5.68 0.40 3.53 0.55 0.00 0.21 -4.59 105.19 110.97 2jnc n GLY 77 Ca 0.30 -0.38 -0.16 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 -2.74 -1.70 -0.07 4.61 0.00 -0.53 -4.93 121.76 116.41 2jnc s ALA 78 Ca 0.00 1.45 -0.03 0.00 0.00 0.00 0.00 51.96 53.38 2jnc s ALA 78 Cb 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2jnc s ALA 78 CO 0.00 -0.35 0.07 -1.17 0.00 0.00 0.00 175.76 174.31 2jnc s LEU 79 N -0.72 3.94 -0.01 0.00 0.20 -1.26 0.92 118.68 121.74 2jnc s LEU 79 Ca -0.08 0.25 0.02 0.00 0.69 0.00 0.00 54.13 55.02 2jnc s LEU 79 Cb -0.02 -2.05 -0.00 0.00 -0.43 0.00 0.00 46.19 43.68 2jnc s LEU 79 CO 0.07 0.35 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.71 2jnc s VAL 80 N -1.03 0.67 0.12 1.68 1.01 0.37 -4.94 120.40 118.27 2jnc s VAL 80 Ca 0.17 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.87 2jnc s VAL 80 Cb -0.12 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2jnc s VAL 80 CO 0.07 0.20 0.03 -1.61 0.00 0.00 0.00 175.10 173.79 2jnc s GLU 81 N -0.05 2.62 0.04 2.72 2.02 -1.25 0.18 118.70 124.97 2jnc s GLU 81 Ca 0.01 -0.89 -0.11 0.00 0.02 0.00 0.00 54.97 54.00 2jnc s GLU 81 Cb -0.05 -2.54 0.01 0.00 0.10 0.00 0.00 34.13 31.66 2jnc s GLU 81 CO -0.00 0.51 0.24 1.03 0.02 0.00 0.00 175.26 177.06 2jnc s ARG 82 N -2.62 0.74 0.73 1.61 1.81 0.28 -4.93 118.95 116.56 2jnc s ARG 82 Ca 0.28 -0.58 -0.15 0.00 -1.72 0.00 0.00 55.73 53.55 2jnc s ARG 82 Cb -0.11 0.31 0.04 0.00 -0.45 0.00 0.00 34.95 34.74 2jnc s ARG 82 CO 0.20 -0.23 1.22 -1.25 -0.68 0.00 0.00 175.30 174.56 2jnc s PRO 83 N -2.57 2.15 0.54 3.54 0.04 -1.26 0.18 135.00 137.62 2jnc s PRO 83 Ca -0.05 1.80 -0.22 0.00 0.04 0.00 0.00 61.00 62.57 2jnc s PRO 83 Cb -0.01 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 2jnc s PRO 83 CO -0.04 -1.83 1.32 0.00 0.04 0.00 0.00 177.00 176.49 2jnc s PRO 85 N -2.90 2.60 -0.34 0.00 0.04 -1.26 -4.92 135.00 128.22 2jnc s PRO 85 Ca 0.71 -0.40 -0.33 0.00 0.04 0.00 0.00 61.00 61.02 2jnc s PRO 85 Cb -0.38 -5.09 -0.10 0.00 0.04 0.00 0.00 34.50 28.97 2jnc s PRO 85 CO 0.45 -3.37 2.23 -1.91 0.04 0.00 0.00 177.00 174.43 2jnc n GLU 86 N 8.81 1.27 -0.55 4.56 2.13 -1.26 -2.48 120.64 133.12 2jnc n GLU 86 Ca 0.40 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.55 2jnc n GLU 86 Cb 0.47 -2.69 0.00 0.00 0.27 0.00 0.00 31.44 29.49 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 10.70 0.00 -4.75 4.31 4.19 -0.98 -4.93 117.16 125.70 2jnc n TYR 87 Ca 0.39 0.00 -0.30 0.00 3.31 0.00 0.00 57.90 61.30 2jnc n TYR 87 Cb 0.30 -0.86 -0.14 0.00 0.49 0.00 0.00 39.34 39.13 2jnc n TYR 87 CO 0.00 0.00 0.00 -0.59 0.91 0.00 0.00 176.86 177.18 2jnc s PHE 88 N -2.28 2.40 -1.03 2.98 -0.71 0.46 -4.59 117.98 115.22 2jnc s PHE 88 Ca 0.00 -0.35 0.00 0.00 -1.04 0.00 0.00 56.93 55.54 2jnc s PHE 88 Cb 0.00 -1.40 0.00 0.00 -1.21 0.00 0.00 43.02 40.41 2jnc s PHE 88 CO 0.00 0.20 0.00 0.27 -1.34 0.00 0.00 175.22 174.35 2jnc n ASN 89 N 1.58 -4.28 0.00 1.98 6.94 -1.26 0.17 115.26 120.39 2jnc n ASN 89 Ca -0.17 0.24 0.00 0.00 -0.02 0.00 0.00 54.58 54.63 2jnc n ASN 89 Cb 0.52 -3.38 0.00 0.00 -2.36 0.00 0.00 39.78 34.56 2jnc n ASN 89 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2jnc n GLY 90 N 0.11 1.02 3.46 4.83 0.00 -1.26 -5.02 105.19 108.33 2jnc n GLY 90 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2jnc n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jnc s ILE 91 N -2.51 4.93 -0.76 -0.61 1.09 0.45 -4.97 121.20 118.82 2jnc s ILE 91 Ca 0.00 -0.41 0.03 0.00 -1.10 0.00 0.00 60.65 59.18 2jnc s ILE 91 Cb 0.00 -4.23 0.27 0.00 -1.06 0.00 0.00 42.46 37.44 2jnc s ILE 91 CO 0.00 -0.69 0.95 1.17 -0.10 0.00 0.00 174.94 176.27 2jnc n LYS 92 N 6.02 3.07 0.00 2.79 0.00 -1.26 -0.40 118.16 128.37 2jnc n LYS 92 Ca -0.06 -4.65 0.00 0.00 0.00 0.00 0.00 58.31 53.60 2jnc n LYS 92 Cb 0.46 -2.33 0.00 0.00 0.00 0.00 0.00 35.03 33.16 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 0.97 0.00 -3.30 5.64 0.18 -1.26 -4.75 117.16 114.64 2jnc n TYR 93 Ca 0.29 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.95 2jnc n TYR 93 Cb 0.39 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.35 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 0.00 -6.71 -2.34 9.48 2.85 -1.26 -4.78 115.26 112.49 2jnc n ASN 94 Ca 0.00 -0.28 -0.26 0.00 -0.11 0.00 0.00 54.58 53.93 2jnc n ASN 94 Cb 0.00 -3.89 -0.00 0.00 1.24 0.00 0.00 39.78 37.13 2jnc n ASN 94 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2jnc n THR 95 N -1.72 3.23 0.23 -0.44 -2.24 -1.26 -3.87 114.28 108.21 2jnc n THR 95 Ca -0.09 -2.74 0.10 0.00 -2.27 0.00 0.00 64.05 59.05 2jnc n THR 95 Cb 0.57 -1.42 0.52 0.00 -2.10 0.00 0.00 70.33 67.89 2jnc n THR 95 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2jnc h THR 96 N 1.58 0.66 -1.67 4.28 1.35 -1.94 -3.43 112.91 113.74 2jnc h THR 96 Ca 0.41 -1.02 -0.44 0.00 -0.55 0.00 0.00 66.41 64.81 2jnc h THR 96 Cb 0.71 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2jnc h THR 96 CO 0.99 0.22 -0.33 -0.13 -0.25 0.00 0.00 175.52 176.03 2jnc s ARG 97 N -3.85 2.94 0.40 4.72 3.00 -1.26 -5.07 118.95 119.82 2jnc s ARG 97 Ca -0.01 -1.15 0.05 0.00 0.00 0.00 0.00 55.73 54.62 2jnc s ARG 97 Cb 0.12 -2.73 -0.02 0.00 0.00 0.00 0.00 34.95 32.32 2jnc s ARG 97 CO 0.63 -0.05 0.19 0.54 0.00 0.00 0.00 175.30 176.61 2jnc s ASN 98 N -4.20 2.55 -0.30 0.23 4.22 -1.26 -3.20 114.94 112.97 2jnc s ASN 98 Ca 0.48 -1.76 -0.02 0.00 -2.14 0.00 0.00 52.86 49.42 2jnc s ASN 98 Cb -0.09 0.60 0.05 0.00 1.28 0.00 0.00 41.25 43.09 2jnc s ASN 98 CO 0.31 -1.03 0.01 0.00 -2.04 0.00 0.00 177.10 174.35 2jnc s ALA 99 N -3.24 2.83 -0.30 3.54 0.00 0.49 -3.89 121.76 121.19 2jnc s ALA 99 Ca 0.28 -1.74 -0.09 0.00 0.00 0.00 0.00 51.96 50.41 2jnc s ALA 99 Cb 0.01 -1.96 -0.00 0.00 0.00 0.00 0.00 23.12 21.17 2jnc s ALA 99 CO 0.19 -1.26 0.13 1.52 0.00 0.00 0.00 175.76 176.34 2jnc s TYR 100 N 1.27 3.17 0.02 0.00 -0.85 -1.26 0.10 117.35 119.80 2jnc s TYR 100 Ca -0.05 -0.71 0.03 0.00 -0.52 0.00 0.00 57.07 55.82 2jnc s TYR 100 Cb -0.20 -2.32 -0.04 0.00 0.38 0.00 0.00 41.96 39.79 2jnc s TYR 100 CO -0.01 -0.50 -0.03 0.50 -1.52 0.00 0.00 175.55 173.99 2jnc s ARG 101 N 1.57 2.62 -0.04 -3.49 3.52 0.46 -0.70 118.95 122.90 2jnc s ARG 101 Ca 0.04 -0.71 -0.02 0.00 -0.13 0.00 0.00 55.73 54.91 2jnc s ARG 101 Cb -0.17 -2.56 -0.04 0.00 -1.56 0.00 0.00 34.95 30.62 2jnc s ARG 101 CO 0.05 0.60 0.09 -2.00 -0.81 0.00 0.00 175.30 173.22 2jnc s GLU 102 N -1.64 3.16 -0.18 5.12 -6.30 -1.26 0.14 118.70 117.74 2jnc s GLU 102 Ca 0.19 -0.39 -0.00 0.00 -2.50 0.00 0.00 54.97 52.27 2jnc s GLU 102 Cb -0.11 -2.93 0.01 0.00 0.00 0.00 0.00 34.13 31.09 2jnc s GLU 102 CO 0.10 0.68 -0.15 0.00 0.02 0.00 0.00 175.26 175.92 2jnc n LEU 104 N 4.40 5.03 0.20 0.00 4.32 0.36 -1.15 117.00 130.16 2jnc n LEU 104 Ca -0.20 0.77 0.12 0.00 -0.02 0.00 0.00 56.01 56.69 2jnc n LEU 104 Cb 0.51 -1.49 0.66 0.00 -1.62 0.00 0.00 43.42 41.48 2jnc n LEU 104 CO 0.28 -1.41 0.90 1.05 -1.22 0.00 0.00 177.39 176.98 2jnc h GLU 105 N 0.26 0.00 -0.01 3.23 4.11 -1.87 0.32 114.58 120.62 2jnc h GLU 105 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2jnc h GLU 105 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2jnc h GLU 105 CO 0.51 0.00 -0.35 0.09 0.07 0.00 0.00 179.01 179.33 2jnc n ASN 106 N -2.38 0.90 0.00 3.06 3.02 -1.26 -4.41 115.26 114.19 2jnc n ASN 106 Ca -0.02 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 2jnc n ASN 106 Cb 0.11 0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 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 1.39 0.49 3.77 7.41 0.00 0.89 -4.93 105.19 114.21 2jnc n GLY 107 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 4.26 -0.13 2.61 -4.23 -1.25 -2.93 115.64 111.98 2jnc s THR 108 Ca 0.00 1.82 -0.22 0.00 -1.18 0.00 0.00 61.69 62.10 2jnc s THR 108 Cb 0.00 -4.16 -0.03 0.00 1.34 0.00 0.00 72.50 69.65 2jnc s THR 108 CO 0.00 0.44 0.68 0.26 -0.54 0.00 0.00 174.62 175.46 2jnc s TRP 109 N -1.26 3.48 0.65 3.99 0.52 -1.26 0.13 118.94 125.19 2jnc s TRP 109 Ca 0.40 1.12 -0.11 0.00 0.02 0.00 0.00 56.10 57.53 2jnc s TRP 109 Cb -0.23 -2.82 0.16 0.00 -1.15 0.00 0.00 33.47 29.43 2jnc s TRP 109 CO 0.27 -0.05 0.73 0.00 0.02 0.00 0.00 176.95 177.92 2jnc n ALA 110 N 4.45 -1.42 -2.88 0.98 0.00 0.30 -4.92 120.51 117.01 2jnc n ALA 110 Ca -0.01 -1.00 -0.23 0.00 0.00 0.00 0.00 53.44 52.20 2jnc n ALA 110 Cb 0.50 -0.06 -0.02 0.00 0.00 0.00 0.00 19.45 19.87 2jnc n ALA 110 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jnc n SER 111 N -3.78 3.27 0.00 0.00 2.88 -1.26 -4.70 113.62 110.03 2jnc n SER 111 Ca 0.10 -3.42 0.00 0.00 -1.33 0.00 0.00 58.87 54.22 2jnc n SER 111 Cb 0.35 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 2jnc n SER 111 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2jnc n ARG 112 N -0.14 0.00 -1.46 -1.46 3.00 -1.26 -5.07 116.66 110.26 2jnc n ARG 112 Ca 0.29 0.00 0.19 0.00 -0.00 0.00 0.00 57.85 58.33 2jnc n ARG 112 Cb 0.56 -0.11 -0.06 0.00 0.00 0.00 0.00 32.46 32.85 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 -0.20 0.00 -2.00 5.15 3.14 0.12 -4.94 118.33 119.60 2jnc n VAL 113 Ca 0.00 0.31 -0.03 0.00 -2.96 0.00 0.00 64.34 61.66 2jnc n VAL 113 Cb 0.00 -0.81 -0.03 0.00 -1.06 0.00 0.00 33.84 31.94 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 -4.32 -0.43 0.11 6.55 5.15 -1.25 -4.67 115.26 116.39 2jnc n ASN 114 Ca -0.02 -1.45 0.05 0.00 -0.60 0.00 0.00 54.58 52.56 2jnc n ASN 114 Cb 0.68 0.13 0.49 0.00 -0.53 0.00 0.00 39.78 40.55 2jnc n ASN 114 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 2jnc h TYR 115 N 0.01 0.30 0.00 1.20 -0.00 -1.92 -0.85 116.97 115.70 2jnc h TYR 115 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.48 2jnc h TYR 115 Cb 1.19 -0.10 0.00 0.00 -0.00 0.00 0.00 36.73 37.82 2jnc h TYR 115 CO -0.24 0.22 0.06 0.45 -0.00 0.00 0.00 178.16 178.65 2jnc n SER 116 N -4.46 0.52 -0.59 0.10 2.88 -1.26 -0.44 113.62 110.37 2jnc n SER 116 Ca 0.00 0.73 0.13 0.00 -1.33 0.00 0.00 58.87 58.40 2jnc n SER 116 Cb 0.11 -0.77 0.42 0.00 -0.75 0.00 0.00 64.21 63.22 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 -2.22 0.04 -2.23 0.66 8.25 -0.32 -4.93 115.22 114.46 2jnc n HIS 117 Ca -0.01 -0.02 -0.40 0.00 -0.26 0.00 0.00 57.72 57.03 2jnc n HIS 117 Cb 0.09 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.18 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 -1.98 4.47 0.67 0.00 2.12 -1.25 -5.05 118.70 117.68 2jnc s GLU 119 Ca 0.52 1.95 -0.03 0.00 0.36 0.00 0.00 54.97 57.77 2jnc s GLU 119 Cb -0.35 -3.21 0.07 0.00 0.26 0.00 0.00 34.13 30.91 2jnc s GLU 119 CO 0.45 -0.11 0.94 -1.25 -0.54 0.00 0.00 175.26 174.75 2jnc s PRO 120 N -0.47 2.10 0.00 4.30 0.04 -1.26 -4.50 135.00 135.21 2jnc s PRO 120 Ca 0.53 -0.66 0.00 0.00 0.04 0.00 0.00 61.00 60.91 2jnc s PRO 120 Cb -0.34 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 31.89 2jnc s PRO 120 CO 0.39 -1.17 0.00 -0.89 0.04 0.00 0.00 177.00 175.37