#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j1u s PHE 11 N 0.00 2.26 -0.27 5.58 0.08 -1.26 -1.55 117.98 122.81 2j1u s PHE 11 Ca 0.00 -0.41 -0.04 0.00 0.12 0.00 0.00 56.93 56.60 2j1u s PHE 11 Cb 0.00 -1.37 0.15 0.00 -0.57 0.00 0.00 43.02 41.23 2j1u s PHE 11 CO 0.00 0.10 0.51 -0.80 -0.10 0.00 0.00 175.22 174.93 2j1u s ASN 12 N -1.15 -0.66 -1.82 1.36 0.01 -0.92 -4.88 114.94 106.88 2j1u s ASN 12 Ca 0.11 0.77 0.00 0.00 -0.71 0.00 0.00 52.86 53.03 2j1u s ASN 12 Cb -0.10 1.73 0.00 0.00 0.41 0.00 0.00 41.25 43.29 2j1u s ASN 12 CO 0.02 -0.26 0.00 0.47 -1.51 0.00 0.00 177.10 175.81 2j1u n ASP 13 N 5.41 -5.75 0.00 -1.22 8.00 -1.26 -2.13 116.55 119.60 2j1u n ASP 13 Ca -0.04 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2j1u n ASP 13 Cb 0.50 -4.83 0.00 0.00 -0.02 0.00 0.00 41.12 36.77 2j1u n ASP 13 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j1u n GLY 14 N -0.90 0.85 3.59 0.44 0.00 -1.26 -5.04 105.19 102.87 2j1u n GLY 14 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 2j1u n GLY 14 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2j1u s ASN 15 N -2.87 4.68 -0.08 1.61 0.02 -0.90 -5.07 114.94 112.32 2j1u s ASN 15 Ca 0.00 -0.04 -0.30 0.00 -1.02 0.00 0.00 52.86 51.50 2j1u s ASN 15 Cb 0.00 -1.16 -0.04 0.00 0.02 0.00 0.00 41.25 40.07 2j1u s ASN 15 CO 0.00 0.34 1.43 -0.22 0.02 0.00 0.00 177.10 178.67 2j1u s LEU 16 N -0.99 4.26 -0.72 0.60 2.96 -1.26 -2.17 118.68 121.36 2j1u s LEU 16 Ca 0.14 1.98 -0.24 0.00 -0.22 0.00 0.00 54.13 55.79 2j1u s LEU 16 Cb -0.11 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.10 2j1u s LEU 16 CO 0.03 -0.80 1.10 0.21 -1.32 0.00 0.00 176.35 175.58 2j1u s ASN 17 N 2.40 6.22 0.00 3.68 2.47 -0.60 -4.42 114.94 124.69 2j1u s ASN 17 Ca 0.63 -0.91 0.15 0.00 0.42 0.00 0.00 52.86 53.15 2j1u s ASN 17 Cb -0.28 -2.47 0.66 0.00 -1.45 0.00 0.00 41.25 37.71 2j1u s ASN 17 CO 0.23 -1.55 1.46 2.30 -3.72 0.00 0.00 177.10 175.82 2j1u n ILE 18 N 6.09 0.89 0.26 -5.21 -5.35 0.42 -2.50 119.36 113.96 2j1u n ILE 18 Ca 0.02 0.22 0.12 0.00 -0.27 0.00 0.00 62.75 62.84 2j1u n ILE 18 Cb 0.47 -0.97 0.13 0.00 -1.74 0.00 0.00 39.64 37.54 2j1u n ILE 18 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2j1u h ALA 19 N 2.56 0.78 -2.42 -1.28 0.00 -1.89 -3.45 119.26 113.57 2j1u h ALA 19 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 2j1u h ALA 19 Cb 0.23 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.06 2j1u h ALA 19 CO 0.00 0.00 1.06 0.98 0.00 0.00 0.00 179.25 181.29 2j1u n TYR 20 N -2.76 2.55 -1.06 0.00 4.19 -1.04 -2.02 117.16 117.01 2j1u n TYR 20 Ca 0.03 -0.06 -0.02 0.00 3.31 0.00 0.00 57.90 61.16 2j1u n TYR 20 Cb 0.52 -2.69 -0.01 0.00 0.49 0.00 0.00 39.34 37.65 2j1u n TYR 20 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2j1u n ALA 21 N 5.29 -0.03 -1.77 2.98 0.00 -0.44 -5.00 120.51 121.54 2j1u n ALA 21 Ca 0.18 0.04 -0.31 0.00 0.00 0.00 0.00 53.44 53.34 2j1u n ALA 21 Cb 0.35 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 18.76 2j1u n ALA 21 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2j1u s LYS 22 N -1.58 3.48 0.29 0.00 -0.14 -0.86 -5.00 119.74 115.93 2j1u s LYS 22 Ca 0.00 0.88 -0.30 0.00 -1.36 0.00 0.00 55.97 55.19 2j1u s LYS 22 Cb 0.00 -2.06 -0.12 0.00 -1.68 0.00 0.00 37.83 33.97 2j1u s LYS 22 CO 0.00 -0.66 1.55 -2.30 -0.76 0.00 0.00 175.35 173.17 2j1u n PRO 23 N -2.55 2.57 -4.31 -1.68 -0.02 -1.25 -4.85 135.00 122.91 2j1u n PRO 23 Ca 0.07 0.91 -0.18 0.00 -2.02 0.00 0.00 63.50 62.28 2j1u n PRO 23 Cb 0.54 -2.66 -0.10 0.00 -0.02 0.00 0.00 33.50 31.25 2j1u n PRO 23 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2j1u s THR 24 N -0.14 1.57 0.12 3.45 -4.23 -1.26 -1.79 115.64 113.35 2j1u s THR 24 Ca 0.64 -2.08 -0.03 0.00 -1.18 0.00 0.00 61.69 59.03 2j1u s THR 24 Cb -0.52 -1.91 -0.03 0.00 1.34 0.00 0.00 72.50 71.37 2j1u s THR 24 CO 0.50 -0.58 0.09 0.42 -0.54 0.00 0.00 174.62 174.52 2j1u s THR 25 N -2.84 0.12 0.31 3.99 -4.23 -0.40 -4.80 115.64 107.80 2j1u s THR 25 Ca 0.19 -1.73 -0.07 0.00 -1.18 0.00 0.00 61.69 58.89 2j1u s THR 25 Cb -0.01 -1.84 0.01 0.00 1.34 0.00 0.00 72.50 72.00 2j1u s THR 25 CO 0.05 -0.56 0.51 0.00 -0.54 0.00 0.00 174.62 174.07 2j1u s GLN 26 N -3.99 1.82 0.40 3.99 -2.07 -1.26 -0.43 119.66 118.11 2j1u s GLN 26 Ca 0.18 -1.55 0.11 0.00 -1.82 0.00 0.00 55.36 52.27 2j1u s GLN 26 Cb 0.07 0.47 0.82 0.00 -1.09 0.00 0.00 33.01 33.27 2j1u s GLN 26 CO -0.02 -0.77 1.92 0.66 -1.32 0.00 0.00 175.29 175.76 2j1u h SER 27 N 2.16 0.16 -5.82 12.60 4.64 -1.36 -3.47 113.55 122.46 2j1u h SER 27 Ca -0.28 -0.03 0.34 0.00 -0.47 0.00 0.00 61.79 61.34 2j1u h SER 27 Cb 1.24 -0.04 -0.09 0.00 -0.31 0.00 0.00 62.40 63.20 2j1u h SER 27 CO 0.38 0.34 0.88 -0.94 -0.87 0.00 0.00 176.83 176.62 2j1u s SER 28 N -6.91 -0.02 -0.02 4.97 1.04 -1.26 -5.01 113.70 106.50 2j1u s SER 28 Ca -0.05 -0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.26 2j1u s SER 28 Cb 0.15 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 2j1u s SER 28 CO 0.72 -0.28 -0.16 -0.69 0.98 0.00 0.00 173.24 173.82 2j1u s VAL 29 N -2.18 1.24 0.09 5.02 1.01 -1.26 -4.19 120.40 120.14 2j1u s VAL 29 Ca 0.22 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.58 2j1u s VAL 29 Cb 0.02 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 2j1u s VAL 29 CO -0.02 0.35 -0.10 -0.62 0.00 0.00 0.00 175.10 174.71 2j1u s ASP 30 N -0.29 1.39 -1.29 3.32 -1.08 -0.76 -4.49 116.67 113.47 2j1u s ASP 30 Ca 0.04 -0.80 -0.10 0.00 -0.52 0.00 0.00 52.55 51.18 2j1u s ASP 30 Cb -0.07 0.01 0.08 0.00 -1.46 0.00 0.00 42.92 41.48 2j1u s ASP 30 CO -0.00 -0.26 0.50 -1.22 0.52 0.00 0.00 175.17 174.70 2j1u n TYR 31 N 0.61 -1.77 -1.97 -5.34 4.02 -1.26 -0.77 117.16 110.67 2j1u n TYR 31 Ca -0.16 0.48 -0.16 0.00 -0.01 0.00 0.00 57.90 58.04 2j1u n TYR 31 Cb 0.58 -2.89 -0.04 0.00 -0.02 0.00 0.00 39.34 36.97 2j1u n TYR 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2j1u n ASN 32 N -2.29 -4.57 -3.43 7.72 3.02 -1.26 -4.86 115.26 109.58 2j1u n ASN 32 Ca -0.01 0.24 -0.40 0.00 -0.03 0.00 0.00 54.58 54.39 2j1u n ASN 32 Cb 0.54 -3.98 -0.02 0.00 -0.61 0.00 0.00 39.78 35.70 2j1u n ASN 32 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2j1u n GLY 33 N -0.62 4.54 3.73 7.41 0.00 0.05 -4.96 105.19 115.34 2j1u n GLY 33 Ca -0.18 -1.68 -0.37 0.00 0.00 0.00 0.00 46.02 43.80 2j1u n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2j1u s ASP 34 N 1.77 4.64 0.54 1.61 1.01 -1.26 -0.83 116.67 124.15 2j1u s ASP 34 Ca 0.62 2.60 0.27 0.00 0.71 0.00 0.00 52.55 56.75 2j1u s ASP 34 Cb 0.17 -2.62 1.55 0.00 1.01 0.00 0.00 42.92 43.04 2j1u s ASP 34 CO -0.07 -1.98 2.14 1.55 0.21 0.00 0.00 175.17 177.02 2j1u h PRO 35 N 0.56 0.00 0.00 8.23 0.13 -1.92 -2.14 132.00 136.86 2j1u h PRO 35 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2j1u h PRO 35 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2j1u h PRO 35 CO 0.53 0.08 0.00 0.27 -0.23 0.00 0.00 178.00 178.65 2j1u n ASN 36 N -3.80 0.32 0.30 1.44 2.04 -1.26 -2.23 115.26 112.07 2j1u n ASN 36 Ca -0.02 0.58 0.19 0.00 -0.44 0.00 0.00 54.58 54.89 2j1u n ASN 36 Cb 0.17 -0.65 0.91 0.00 -2.53 0.00 0.00 39.78 37.68 2j1u n ASN 36 CO 0.00 0.00 0.00 0.03 -0.44 0.00 0.00 177.26 176.85 2j1u h ARG 37 N 0.00 0.00 -0.01 -3.83 3.08 -1.71 -2.20 114.38 109.71 2j1u h ARG 37 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2j1u h ARG 37 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2j1u h ARG 37 CO 0.00 0.01 -0.02 0.00 -1.07 0.00 0.00 179.97 178.89 2j1u n ALA 38 N -2.10 2.63 -1.97 0.04 0.00 -0.95 -3.77 120.51 114.40 2j1u n ALA 38 Ca -0.01 -0.39 0.05 0.00 0.00 0.00 0.00 53.44 53.09 2j1u n ALA 38 Cb 0.21 -1.24 0.11 0.00 0.00 0.00 0.00 19.45 18.53 2j1u n ALA 38 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2j1u n VAL 39 N -0.15 1.09 0.76 0.00 0.24 -0.84 -0.30 118.33 119.13 2j1u n VAL 39 Ca 0.20 -1.99 0.09 0.00 -2.04 0.00 0.00 64.34 60.59 2j1u n VAL 39 Cb 0.30 0.34 0.27 0.00 -1.47 0.00 0.00 33.84 33.28 2j1u n VAL 39 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2j1u n ASP 40 N -0.38 2.34 0.00 -1.34 5.68 -1.13 -1.32 116.55 120.40 2j1u n ASP 40 Ca 0.12 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.52 2j1u n ASP 40 Cb 0.88 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 2j1u n ASP 40 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2j1u n GLY 41 N 1.24 0.87 3.27 6.12 0.00 -1.26 -5.01 105.19 110.42 2j1u n GLY 41 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2j1u n GLY 41 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2j1u s ASN 42 N -2.80 5.00 0.00 1.61 2.47 -1.26 -5.00 114.94 114.95 2j1u s ASN 42 Ca 0.00 -0.95 0.29 0.00 0.42 0.00 0.00 52.86 52.62 2j1u s ASN 42 Cb 0.00 -1.81 1.42 0.00 -1.45 0.00 0.00 41.25 39.40 2j1u s ASN 42 CO 0.00 -0.23 1.95 0.54 -3.72 0.00 0.00 177.10 175.64 2j1u n ARG 43 N 4.78 1.37 -1.65 0.43 1.74 -1.26 -4.57 116.66 117.49 2j1u n ARG 43 Ca -0.14 -0.53 -0.45 0.00 -0.77 0.00 0.00 57.85 55.96 2j1u n ARG 43 Cb 0.46 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.38 2j1u n ARG 43 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2j1u n ASN 44 N -0.35 3.67 -0.69 0.55 4.05 -1.26 -4.80 115.26 116.43 2j1u n ASN 44 Ca 0.21 0.80 0.10 0.00 0.45 0.00 0.00 54.58 56.14 2j1u n ASN 44 Cb 0.24 -1.46 0.32 0.00 1.23 0.00 0.00 39.78 40.11 2j1u n ASN 44 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2j1u n GLY 45 N 4.79 0.64 3.62 8.20 0.00 -1.26 -4.53 105.19 116.65 2j1u n GLY 45 Ca 0.24 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 2j1u n GLY 45 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2j1u s ASN 46 N -1.47 6.56 0.34 1.61 3.84 -1.26 -0.48 114.94 124.08 2j1u s ASN 46 Ca 0.33 0.98 0.05 0.00 0.21 0.00 0.00 52.86 54.44 2j1u s ASN 46 Cb 0.18 -2.54 0.71 0.00 -0.55 0.00 0.00 41.25 39.05 2j1u s ASN 46 CO 0.26 -1.21 1.91 0.15 -2.79 0.00 0.00 177.10 175.42 2j1u h PHE 47 N 9.71 0.86 0.00 0.43 3.04 -1.94 -1.58 116.94 127.47 2j1u h PHE 47 Ca -0.26 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.71 2j1u h PHE 47 Cb 1.09 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 39.32 2j1u h PHE 47 CO 0.92 0.41 0.00 0.09 -2.02 0.00 0.00 178.31 177.71 2j1u n ASN 48 N -4.51 0.64 -0.12 0.41 3.02 -1.26 -1.97 115.26 111.47 2j1u n ASN 48 Ca 0.14 0.65 0.12 0.00 -0.03 0.00 0.00 54.58 55.46 2j1u n ASN 48 Cb 0.30 -0.79 0.30 0.00 -0.61 0.00 0.00 39.78 38.98 2j1u n ASN 48 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2j1u n SER 49 N -2.20 0.77 0.00 6.41 7.64 -0.59 -4.98 113.62 120.67 2j1u n SER 49 Ca 0.02 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.32 2j1u n SER 49 Cb 0.24 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 2j1u n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2j1u n GLY 50 N 1.42 0.70 0.73 0.23 0.00 -0.83 -4.97 105.19 102.48 2j1u n GLY 50 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.16 2j1u n GLY 50 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2j1u n SER 51 N 0.00 2.95 -4.20 1.61 2.88 -1.26 -4.94 113.62 110.66 2j1u n SER 51 Ca 0.00 -3.31 -0.29 0.00 -1.33 0.00 0.00 58.87 53.94 2j1u n SER 51 Cb 0.00 -0.54 -0.16 0.00 -0.75 0.00 0.00 64.21 62.76 2j1u n SER 51 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2j1u s VAL 52 N -2.99 1.74 0.89 2.46 1.01 -1.26 -4.47 120.40 117.78 2j1u s VAL 52 Ca 0.40 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 2j1u s VAL 52 Cb 0.35 -1.48 0.12 0.00 0.00 0.00 0.00 36.38 35.37 2j1u s VAL 52 CO 0.04 0.49 1.14 0.42 0.00 0.00 0.00 175.10 177.19 2j1u s THR 53 N -0.08 2.11 -0.30 3.92 -4.23 -0.23 -4.70 115.64 112.13 2j1u s THR 53 Ca -0.03 0.04 -0.11 0.00 -1.18 0.00 0.00 61.69 60.40 2j1u s THR 53 Cb -0.12 -2.82 0.14 0.00 1.34 0.00 0.00 72.50 71.04 2j1u s THR 53 CO 0.03 -0.05 0.75 -2.28 -0.54 0.00 0.00 174.62 172.53 2j1u s HIS 54 N -3.30 -1.16 0.57 3.99 5.04 -0.01 -3.70 115.29 116.72 2j1u s HIS 54 Ca 0.63 2.00 0.02 0.00 -1.54 0.00 0.00 55.06 56.17 2j1u s HIS 54 Cb -0.14 0.69 0.05 0.00 0.04 0.00 0.00 32.58 33.22 2j1u s HIS 54 CO 0.53 -0.58 0.80 0.95 -2.34 0.00 0.00 174.74 174.10 2j1u s THR 55 N 2.77 2.56 1.13 0.89 -4.23 -0.70 -1.83 115.64 116.23 2j1u s THR 55 Ca -0.05 -0.70 -0.19 0.00 -1.18 0.00 0.00 61.69 59.58 2j1u s THR 55 Cb -0.10 -2.86 0.26 0.00 1.34 0.00 0.00 72.50 71.14 2j1u s THR 55 CO -0.19 0.00 1.20 -0.13 -0.54 0.00 0.00 174.62 174.96 2j1u s ARG 56 N -4.79 -0.64 -1.14 3.99 0.52 -1.26 -4.28 118.95 111.34 2j1u s ARG 56 Ca 0.59 -0.26 -0.16 0.00 -0.52 0.00 0.00 55.73 55.38 2j1u s ARG 56 Cb -0.09 -1.68 0.14 0.00 0.52 0.00 0.00 34.95 33.84 2j1u s ARG 56 CO 0.39 -3.29 1.40 0.00 0.02 0.00 0.00 175.30 173.82 2j1u s ALA 57 N -3.37 3.68 0.73 2.13 0.00 -1.26 -4.25 121.76 119.43 2j1u s ALA 57 Ca 0.73 -3.10 -0.02 0.00 0.00 0.00 0.00 51.96 49.58 2j1u s ALA 57 Cb -0.07 -4.20 0.13 0.00 0.00 0.00 0.00 23.12 18.98 2j1u s ALA 57 CO 0.55 -2.94 1.01 -0.51 0.00 0.00 0.00 175.76 173.87 2j1u s ASP 58 N 3.33 4.29 -0.63 0.00 1.01 -1.26 -4.25 116.67 119.16 2j1u s ASP 58 Ca 0.42 -0.32 0.06 0.00 0.71 0.00 0.00 52.55 53.41 2j1u s ASP 58 Cb -0.02 -0.04 0.23 0.00 1.01 0.00 0.00 42.92 44.09 2j1u s ASP 58 CO -0.02 -1.90 0.66 -3.20 0.21 0.00 0.00 175.17 170.92 2j1u n ASN 59 N -2.88 3.22 -5.02 0.27 5.15 -1.26 -0.58 115.26 114.15 2j1u n ASN 59 Ca 0.15 -3.31 -0.18 0.00 -0.60 0.00 0.00 54.58 50.65 2j1u n ASN 59 Cb 0.60 -0.69 0.02 0.00 -0.53 0.00 0.00 39.78 39.19 2j1u n ASN 59 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2j1u s PRO 60 N -2.07 2.70 0.38 1.20 0.04 -1.26 -5.05 135.00 130.95 2j1u s PRO 60 Ca 0.36 -1.34 -0.27 0.00 0.04 0.00 0.00 61.00 59.79 2j1u s PRO 60 Cb 0.10 -2.73 -0.09 0.00 0.04 0.00 0.00 34.50 31.82 2j1u s PRO 60 CO -0.06 -0.41 1.27 -1.12 0.04 0.00 0.00 177.00 176.72 2j1u s SER 61 N -4.43 6.48 0.20 6.66 0.01 -1.23 -4.94 113.70 116.46 2j1u s SER 61 Ca 0.57 2.60 -0.18 0.00 1.31 0.00 0.00 55.95 60.24 2j1u s SER 61 Cb -0.09 -2.64 0.03 0.00 0.21 0.00 0.00 66.02 63.54 2j1u s SER 61 CO 0.34 -0.73 0.55 -1.66 0.41 0.00 0.00 173.24 172.16 2j1u s TRP 62 N -1.26 -0.17 -0.02 2.43 1.48 -1.26 -1.65 118.94 118.49 2j1u s TRP 62 Ca 0.55 -0.16 -0.09 0.00 -1.06 0.00 0.00 56.10 55.33 2j1u s TRP 62 Cb -0.37 0.44 0.01 0.00 -1.16 0.00 0.00 33.47 32.39 2j1u s TRP 62 CO 0.48 -0.94 0.20 -0.46 -4.06 0.00 0.00 176.95 172.16 2j1u s TRP 63 N -3.86 -0.07 -0.09 1.66 -0.00 -0.02 -0.85 118.94 115.70 2j1u s TRP 63 Ca 0.08 0.12 -0.11 0.00 -0.00 0.00 0.00 56.10 56.20 2j1u s TRP 63 Cb -0.01 0.02 0.03 0.00 -0.00 0.00 0.00 33.47 33.50 2j1u s TRP 63 CO -0.03 -0.28 0.28 -2.00 -0.00 0.00 0.00 176.95 174.93 2j1u s GLU 64 N -1.05 0.39 0.01 5.86 2.12 0.43 -0.29 118.70 126.17 2j1u s GLU 64 Ca -0.11 0.27 0.05 0.00 0.36 0.00 0.00 54.97 55.53 2j1u s GLU 64 Cb -0.06 0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.49 2j1u s GLU 64 CO 0.02 -0.07 -0.11 0.54 -0.54 0.00 0.00 175.26 175.10 2j1u s VAL 65 N -0.15 3.29 -0.25 3.70 0.11 -0.20 -1.28 120.40 125.61 2j1u s VAL 65 Ca -0.03 -0.90 0.00 0.00 -2.93 0.00 0.00 61.98 58.12 2j1u s VAL 65 Cb -0.03 -2.40 0.04 0.00 -1.53 0.00 0.00 36.38 32.46 2j1u s VAL 65 CO 0.01 0.40 -0.08 -0.62 -3.33 0.00 0.00 175.10 171.48 2j1u s ASP 66 N -1.34 4.30 0.00 3.54 -1.08 -0.74 -1.62 116.67 119.73 2j1u s ASP 66 Ca 0.16 -1.07 0.22 0.00 -0.52 0.00 0.00 52.55 51.34 2j1u s ASP 66 Cb -0.11 -1.61 1.02 0.00 -1.46 0.00 0.00 42.92 40.76 2j1u s ASP 66 CO 0.06 -0.15 1.71 0.18 0.52 0.00 0.00 175.17 177.48 2j1u n LEU 67 N 4.58 0.00 0.00 -1.34 4.77 0.85 -3.74 117.00 122.13 2j1u n LEU 67 Ca -0.16 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2j1u n LEU 67 Cb 0.45 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2j1u n LEU 67 CO 0.25 -0.10 0.00 0.29 -1.33 0.00 0.00 177.39 176.50 2j1u n LYS 68 N -1.40 0.00 -4.10 3.23 5.02 -1.26 -4.88 118.16 114.76 2j1u n LYS 68 Ca 0.08 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.29 2j1u n LYS 68 Cb 0.22 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.13 2j1u n LYS 68 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2j1u s LYS 69 N 0.00 0.64 0.52 1.97 1.02 -1.26 -5.13 119.74 117.51 2j1u s LYS 69 Ca 0.00 -1.20 -0.23 0.00 0.02 0.00 0.00 55.97 54.56 2j1u s LYS 69 Cb 0.00 0.09 -0.06 0.00 -0.52 0.00 0.00 37.83 37.34 2j1u s LYS 69 CO 0.00 -0.08 1.37 -1.33 -0.92 0.00 0.00 175.35 174.38 2j1u n MET 70 N 0.19 1.82 -3.93 1.68 2.81 -1.26 -4.44 117.12 113.99 2j1u n MET 70 Ca -0.14 0.66 -0.09 0.00 -1.81 0.00 0.00 57.70 56.32 2j1u n MET 70 Cb 0.60 -2.57 -0.06 0.00 -0.71 0.00 0.00 33.22 30.48 2j1u n MET 70 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2j1u s ASP 71 N -0.80 -0.07 0.03 7.83 -1.08 0.29 -4.91 116.67 117.96 2j1u s ASP 71 Ca 0.69 -0.83 -0.25 0.00 -0.52 0.00 0.00 52.55 51.64 2j1u s ASP 71 Cb -0.43 0.52 -0.05 0.00 -1.46 0.00 0.00 42.92 41.50 2j1u s ASP 71 CO 0.51 -1.02 0.76 -0.75 0.52 0.00 0.00 175.17 175.20 2j1u s LYS 72 N -3.97 4.49 -0.22 4.34 2.20 -1.26 -0.73 119.74 124.58 2j1u s LYS 72 Ca 0.18 1.05 -0.02 0.00 -0.36 0.00 0.00 55.97 56.82 2j1u s LYS 72 Cb 0.01 -3.37 0.01 0.00 -1.51 0.00 0.00 37.83 32.97 2j1u s LYS 72 CO 0.03 0.26 -0.08 0.08 -0.36 0.00 0.00 175.35 175.29 2j1u s VAL 73 N 0.03 2.98 0.00 4.02 1.01 0.06 -4.07 120.40 124.42 2j1u s VAL 73 Ca 0.39 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2j1u s VAL 73 Cb -0.20 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.79 2j1u s VAL 73 CO 0.23 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.31 2j1u n GLY 74 N 4.73 0.10 3.73 4.51 0.00 0.61 -1.08 105.19 117.79 2j1u n GLY 74 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2j1u n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2j1u s LEU 75 N 0.00 4.45 -0.16 0.99 1.43 -0.04 -0.93 118.68 124.43 2j1u s LEU 75 Ca 0.00 2.13 -0.00 0.00 -1.03 0.00 0.00 54.13 55.23 2j1u s LEU 75 Cb 0.00 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.61 2j1u s LEU 75 CO 0.00 -0.32 -0.14 -0.69 0.23 0.00 0.00 176.35 175.43 2j1u s VAL 76 N 0.04 2.78 -0.17 -1.59 1.01 0.12 -1.03 120.40 121.55 2j1u s VAL 76 Ca 0.52 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2j1u s VAL 76 Cb -0.31 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 33.91 2j1u s VAL 76 CO 0.35 0.51 -0.20 -0.54 0.00 0.00 0.00 175.10 175.21 2j1u s LYS 77 N 0.79 3.01 -0.21 2.72 1.02 -0.07 -0.00 119.74 127.00 2j1u s LYS 77 Ca -0.05 -0.83 -0.00 0.00 0.02 0.00 0.00 55.97 55.11 2j1u s LYS 77 Cb -0.15 -2.54 0.02 0.00 -0.52 0.00 0.00 37.83 34.64 2j1u s LYS 77 CO 0.01 -0.16 -0.14 0.42 -0.92 0.00 0.00 175.35 174.56 2j1u s ILE 78 N 1.16 2.44 -0.24 2.17 1.01 -0.24 -0.61 121.20 126.88 2j1u s ILE 78 Ca 0.02 -0.97 -0.13 0.00 0.00 0.00 0.00 60.65 59.57 2j1u s ILE 78 Cb -0.14 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 2j1u s ILE 78 CO -0.10 0.39 0.26 -0.31 0.00 0.00 0.00 174.94 175.18 2j1u s TYR 79 N 1.30 3.30 0.68 3.97 2.02 0.45 -1.22 117.35 127.86 2j1u s TYR 79 Ca 0.03 0.33 -0.11 0.00 -0.37 0.00 0.00 57.07 56.95 2j1u s TYR 79 Cb -0.15 -2.40 0.00 0.00 -0.40 0.00 0.00 41.96 39.01 2j1u s TYR 79 CO -0.09 -0.04 1.06 1.21 -1.57 0.00 0.00 175.55 176.12 2j1u s ASN 80 N 1.26 5.56 0.53 2.29 3.84 -0.35 -0.69 114.94 127.39 2j1u s ASN 80 Ca 0.11 1.44 -0.22 0.00 0.21 0.00 0.00 52.86 54.40 2j1u s ASN 80 Cb -0.15 -2.35 -0.06 0.00 -0.55 0.00 0.00 41.25 38.15 2j1u s ASN 80 CO 0.07 -1.30 1.35 -1.14 -2.79 0.00 0.00 177.10 173.29 2j1u n ARG 81 N -3.02 1.75 0.00 0.43 0.63 -1.26 -4.22 116.66 110.97 2j1u n ARG 81 Ca 0.07 0.64 0.00 0.00 -0.92 0.00 0.00 57.85 57.64 2j1u n ARG 81 Cb 0.55 -2.56 0.00 0.00 0.45 0.00 0.00 32.46 30.90 2j1u n ARG 81 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2j1u n THR 82 N -0.90 0.00 0.13 5.15 -2.24 0.36 -4.64 114.28 112.15 2j1u n THR 82 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2j1u n THR 82 Cb 0.44 0.16 0.11 0.00 -2.10 0.00 0.00 70.33 68.94 2j1u n THR 82 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2j1u h ASP 83 N 0.00 0.00 -4.65 3.42 3.04 -1.92 -3.48 116.42 112.83 2j1u h ASP 83 Ca 0.00 0.00 0.09 0.00 -3.24 0.00 0.00 57.03 53.88 2j1u h ASP 83 Cb 0.13 0.00 -0.15 0.00 -1.04 0.00 0.00 39.33 38.27 2j1u h ASP 83 CO 0.00 0.62 0.47 0.00 -2.04 0.00 0.00 179.24 178.29 2j1u s ALA 84 N -3.23 -1.81 -1.46 4.15 0.00 -1.26 -5.01 121.76 113.14 2j1u s ALA 84 Ca 0.01 1.00 -0.08 0.00 0.00 0.00 0.00 51.96 52.89 2j1u s ALA 84 Cb 0.10 0.40 0.04 0.00 0.00 0.00 0.00 23.12 23.66 2j1u s ALA 84 CO 0.75 -0.67 0.69 0.39 0.00 0.00 0.00 175.76 176.91 2j1u n GLU 85 N -0.20 -4.89 0.24 0.00 -0.58 -1.26 -4.86 120.64 109.09 2j1u n GLU 85 Ca -0.10 0.74 0.07 0.00 -0.42 0.00 0.00 57.16 57.45 2j1u n GLU 85 Cb 0.62 -5.58 0.56 0.00 -0.57 0.00 0.00 31.44 26.47 2j1u n GLU 85 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 2j1u h THR 86 N -1.50 1.04 0.00 2.62 1.35 -1.92 -1.41 112.91 113.08 2j1u h THR 86 Ca -0.51 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 2j1u h THR 86 Cb 1.35 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 2j1u h THR 86 CO 0.57 0.13 0.00 0.00 -0.25 0.00 0.00 175.52 175.97 2j1u n GLN 87 N -4.29 0.02 0.04 4.72 0.00 -1.26 -2.47 117.38 114.14 2j1u n GLN 87 Ca -0.03 0.25 0.03 0.00 0.00 0.00 0.00 57.00 57.25 2j1u n GLN 87 Cb 0.21 -1.50 0.41 0.00 0.00 0.00 0.00 30.24 29.36 2j1u n GLN 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2j1u h ARG 88 N 0.00 0.45 -5.39 2.61 3.08 -1.61 -3.28 114.38 110.23 2j1u h ARG 88 Ca 0.00 -0.05 -0.69 0.00 0.07 0.00 0.00 59.98 59.32 2j1u h ARG 88 Cb 0.23 -0.09 -0.13 0.00 0.08 0.00 0.00 29.97 30.06 2j1u h ARG 88 CO 0.00 0.37 1.54 -1.17 -1.07 0.00 0.00 179.97 179.64 2j1u s LEU 89 N -9.27 4.40 0.17 3.04 2.96 -1.03 -4.88 118.68 114.06 2j1u s LEU 89 Ca -0.07 -2.36 -0.19 0.00 -0.22 0.00 0.00 54.13 51.29 2j1u s LEU 89 Cb 0.17 -2.49 0.04 0.00 0.50 0.00 0.00 46.19 44.42 2j1u s LEU 89 CO 0.73 -1.08 0.52 -0.94 -1.32 0.00 0.00 176.35 174.27 2j1u s SER 90 N 3.81 -0.36 -1.23 3.68 1.04 -1.24 -4.24 113.70 115.16 2j1u s SER 90 Ca 0.45 -0.27 -0.27 0.00 0.48 0.00 0.00 55.95 56.34 2j1u s SER 90 Cb -0.01 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.70 2j1u s SER 90 CO -0.01 -0.98 0.66 -3.20 0.98 0.00 0.00 173.24 170.68 2j1u n ASN 91 N -0.33 -3.94 -4.22 7.02 5.15 -0.03 -4.65 115.26 114.27 2j1u n ASN 91 Ca -0.14 -1.20 -0.19 0.00 -0.60 0.00 0.00 54.58 52.45 2j1u n ASN 91 Cb 0.64 -2.23 -0.12 0.00 -0.53 0.00 0.00 39.78 37.54 2j1u n ASN 91 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 2j1u s PHE 92 N -3.59 1.39 -0.08 1.20 -0.71 -0.74 -1.06 117.98 114.39 2j1u s PHE 92 Ca 0.43 -0.50 -0.05 0.00 -1.04 0.00 0.00 56.93 55.78 2j1u s PHE 92 Cb -0.21 -0.75 -0.04 0.00 -1.21 0.00 0.00 43.02 40.81 2j1u s PHE 92 CO 0.94 0.12 0.13 -0.51 -1.34 0.00 0.00 175.22 174.56 2j1u s ASP 93 N -2.09 6.17 -0.20 1.98 -0.00 0.09 -0.29 116.67 122.32 2j1u s ASP 93 Ca 0.04 0.37 -0.03 0.00 -0.00 0.00 0.00 52.55 52.93 2j1u s ASP 93 Cb -0.08 -1.93 -0.01 0.00 -0.00 0.00 0.00 42.92 40.90 2j1u s ASP 93 CO 0.03 0.36 -0.07 -0.69 -0.00 0.00 0.00 175.17 174.80 2j1u s VAL 94 N -1.10 3.19 -0.05 -1.27 1.01 -0.06 -0.94 120.40 121.19 2j1u s VAL 94 Ca 0.18 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.63 2j1u s VAL 94 Cb -0.12 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.84 2j1u s VAL 94 CO 0.08 0.45 -0.12 -0.63 0.00 0.00 0.00 175.10 174.89 2j1u s ILE 95 N 1.30 1.04 -0.12 2.22 1.01 0.48 -1.13 121.20 126.01 2j1u s ILE 95 Ca 0.04 -0.46 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 2j1u s ILE 95 Cb -0.14 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 2j1u s ILE 95 CO -0.03 0.32 0.10 -0.76 0.00 0.00 0.00 174.94 174.57 2j1u s LEU 96 N 0.42 4.13 0.06 2.97 1.02 -0.05 -0.75 118.68 126.48 2j1u s LEU 96 Ca -0.09 0.34 0.04 0.00 0.02 0.00 0.00 54.13 54.45 2j1u s LEU 96 Cb -0.13 -2.00 -0.03 0.00 0.02 0.00 0.00 46.19 44.06 2j1u s LEU 96 CO 0.02 0.37 -0.13 -0.31 0.02 0.00 0.00 176.35 176.32 2j1u s TYR 97 N -0.80 1.10 0.00 0.29 2.02 -0.61 -0.16 117.35 119.20 2j1u s TYR 97 Ca 0.13 -0.45 0.00 0.00 -0.37 0.00 0.00 57.07 56.39 2j1u s TYR 97 Cb -0.12 -0.63 0.00 0.00 -0.40 0.00 0.00 41.96 40.81 2j1u s TYR 97 CO 0.03 0.03 0.00 -0.40 -1.57 0.00 0.00 175.55 173.64 2j1u n ASP 98 N 1.43 0.00 0.16 2.29 5.68 -0.42 -1.08 116.55 124.61 2j1u n ASP 98 Ca -0.21 -0.67 0.12 0.00 -0.50 0.00 0.00 54.79 53.54 2j1u n ASP 98 Cb 0.54 0.00 0.56 0.00 -1.14 0.00 0.00 41.12 41.08 2j1u n ASP 98 CO 0.00 0.00 0.00 -1.13 -1.33 0.00 0.00 177.20 174.74 2j1u h ASN 99 N 0.00 0.00 -0.26 -1.12 -1.24 -1.94 -1.69 115.58 109.32 2j1u h ASN 99 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2j1u h ASN 99 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2j1u h ASN 99 CO 0.00 0.00 0.00 0.59 -1.29 0.00 0.00 177.43 176.73 2j1u n ASN 100 N -2.33 3.22 -2.26 1.15 5.03 -1.26 -4.98 115.26 113.83 2j1u n ASN 100 Ca 0.01 -2.48 -0.20 0.00 0.87 0.00 0.00 54.58 52.78 2j1u n ASN 100 Cb 0.17 -0.35 -0.01 0.00 -1.02 0.00 0.00 39.78 38.57 2j1u n ASN 100 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2j1u n ARG 101 N -0.10 -1.61 -3.00 3.52 1.74 -0.64 -4.99 116.66 111.59 2j1u n ARG 101 Ca 0.15 0.96 -0.40 0.00 -0.77 0.00 0.00 57.85 57.79 2j1u n ARG 101 Cb 0.62 -5.56 -0.05 0.00 -1.02 0.00 0.00 32.46 26.45 2j1u n ARG 101 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2j1u s ASN 102 N -2.12 7.26 0.10 0.55 0.01 -1.26 -4.81 114.94 114.67 2j1u s ASN 102 Ca 0.00 1.50 -0.31 0.00 -0.71 0.00 0.00 52.86 53.34 2j1u s ASN 102 Cb -0.00 -2.47 -0.08 0.00 0.41 0.00 0.00 41.25 39.10 2j1u s ASN 102 CO 0.00 0.09 1.56 -0.70 -1.51 0.00 0.00 177.10 176.55 2j1u s GLU 103 N -0.46 4.23 -0.04 -0.60 2.12 -1.26 -1.30 118.70 121.39 2j1u s GLU 103 Ca 0.37 2.27 0.09 0.00 0.36 0.00 0.00 54.97 58.06 2j1u s GLU 103 Cb -0.21 -3.40 -0.14 0.00 0.26 0.00 0.00 34.13 30.63 2j1u s GLU 103 CO 0.24 -0.63 0.16 1.33 -0.54 0.00 0.00 175.26 175.81 2j1u n VAL 104 N 4.37 0.18 -3.53 3.70 0.24 0.78 -4.93 118.33 119.14 2j1u n VAL 104 Ca 0.14 -0.27 -0.10 0.00 -2.04 0.00 0.00 64.34 62.08 2j1u n VAL 104 Cb 0.40 -0.03 -0.03 0.00 -1.47 0.00 0.00 33.84 32.71 2j1u n VAL 104 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2j1u s ALA 105 N -2.54 -1.86 -0.19 2.33 0.00 -1.20 -4.99 121.76 113.32 2j1u s ALA 105 Ca -0.04 1.24 -0.14 0.00 0.00 0.00 0.00 51.96 53.02 2j1u s ALA 105 Cb 0.05 -0.00 0.06 0.00 0.00 0.00 0.00 23.12 23.22 2j1u s ALA 105 CO 0.39 -0.54 0.48 0.21 0.00 0.00 0.00 175.76 176.30 2j1u s LYS 106 N -2.30 0.51 0.01 0.00 2.20 -1.26 -0.87 119.74 118.04 2j1u s LYS 106 Ca 0.02 0.79 0.08 0.00 -0.36 0.00 0.00 55.97 56.49 2j1u s LYS 106 Cb -0.01 0.14 -0.02 0.00 -1.51 0.00 0.00 37.83 36.43 2j1u s LYS 106 CO -0.04 -0.11 -0.24 0.15 -0.36 0.00 0.00 175.35 174.75 2j1u s LYS 107 N 0.89 1.80 -0.15 4.03 1.02 -0.28 -4.99 119.74 122.06 2j1u s LYS 107 Ca -0.05 -0.94 -0.07 0.00 0.02 0.00 0.00 55.97 54.93 2j1u s LYS 107 Cb -0.06 -1.84 -0.04 0.00 -0.52 0.00 0.00 37.83 35.37 2j1u s LYS 107 CO -0.07 0.49 0.11 -1.58 -0.92 0.00 0.00 175.35 173.38 2j1u s HIS 108 N -0.67 3.44 -0.16 3.18 5.65 -1.26 -0.88 115.29 124.59 2j1u s HIS 108 Ca 0.10 0.36 0.01 0.00 0.25 0.00 0.00 55.06 55.78 2j1u s HIS 108 Cb -0.09 -2.00 0.01 0.00 -1.18 0.00 0.00 32.58 29.31 2j1u s HIS 108 CO 0.00 0.49 -0.18 0.08 -0.65 0.00 0.00 174.74 174.49 2j1u s VAL 109 N -0.43 2.38 0.00 0.89 1.01 0.61 -5.01 120.40 119.86 2j1u s VAL 109 Ca 0.11 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 61.04 2j1u s VAL 109 Cb -0.12 -2.00 -0.25 0.00 0.00 0.00 0.00 36.38 34.02 2j1u s VAL 109 CO 0.02 0.52 1.07 0.78 0.00 0.00 0.00 175.10 177.49 2j1u h ASN 110 N 7.53 0.56 -5.55 3.32 4.21 -1.95 -1.91 115.58 121.79 2j1u h ASN 110 Ca -0.37 -0.79 0.24 0.00 1.21 0.00 0.00 56.30 56.59 2j1u h ASN 110 Cb 1.18 -0.17 -0.08 0.00 -1.12 0.00 0.00 38.32 38.12 2j1u h ASN 110 CO 0.58 1.29 0.67 0.54 -1.29 0.00 0.00 177.43 179.22 2j1u s ASN 111 N -6.85 -0.08 -0.05 5.81 6.03 -1.26 -0.86 114.94 117.68 2j1u s ASN 111 Ca -0.13 -0.35 0.01 0.00 -1.03 0.00 0.00 52.86 51.37 2j1u s ASN 111 Cb 0.03 0.34 -0.03 0.00 -3.03 0.00 0.00 41.25 38.57 2j1u s ASN 111 CO 0.84 -0.65 -0.07 -0.76 -2.03 0.00 0.00 177.10 174.43 2j1u s LEU 112 N -3.13 3.17 -0.03 3.54 1.02 -1.26 -5.03 118.68 116.95 2j1u s LEU 112 Ca 0.16 -0.05 0.14 0.00 0.02 0.00 0.00 54.13 54.41 2j1u s LEU 112 Cb 0.01 -1.72 -0.21 0.00 0.02 0.00 0.00 46.19 44.29 2j1u s LEU 112 CO 0.00 0.34 0.64 -1.54 0.02 0.00 0.00 176.35 175.82 2j1u n SER 113 N 2.06 0.77 0.00 2.29 3.41 -1.26 -4.97 113.62 115.92 2j1u n SER 113 Ca -0.17 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 2j1u n SER 113 Cb 0.53 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 2j1u n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2j1u n GLY 114 N 1.53 5.11 0.02 5.00 0.00 -1.26 -5.04 105.19 110.54 2j1u n GLY 114 Ca -0.16 -1.73 0.13 0.00 0.00 0.00 0.00 46.02 44.26 2j1u n GLY 114 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2j1u n GLU 115 N 0.00 0.06 -4.07 1.61 1.02 -1.26 -4.88 120.64 113.12 2j1u n GLU 115 Ca 0.00 0.03 -0.10 0.00 -0.02 0.00 0.00 57.16 57.07 2j1u n GLU 115 Cb 0.00 -1.55 -0.08 0.00 -0.02 0.00 0.00 31.44 29.78 2j1u n GLU 115 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2j1u s SER 116 N -3.29 0.14 0.02 1.62 1.04 -1.26 -1.21 113.70 110.75 2j1u s SER 116 Ca 0.12 -1.08 0.05 0.00 0.48 0.00 0.00 55.95 55.51 2j1u s SER 116 Cb 0.17 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 2j1u s SER 116 CO 0.62 -0.85 -0.16 0.54 0.98 0.00 0.00 173.24 174.37 2j1u s VAL 117 N -4.03 1.25 -0.19 5.02 0.11 -0.36 -4.74 120.40 117.46 2j1u s VAL 117 Ca 0.24 -0.87 -0.01 0.00 -2.93 0.00 0.00 61.98 58.41 2j1u s VAL 117 Cb 0.05 -1.08 0.00 0.00 -1.53 0.00 0.00 36.38 33.82 2j1u s VAL 117 CO 0.04 0.20 -0.13 -0.55 -3.33 0.00 0.00 175.10 171.33 2j1u s SER 118 N -0.78 3.74 0.04 3.54 0.15 -1.26 -1.08 113.70 118.04 2j1u s SER 118 Ca 0.05 -0.49 0.07 0.00 0.70 0.00 0.00 55.95 56.28 2j1u s SER 118 Cb -0.07 -1.60 -0.03 0.00 -1.71 0.00 0.00 66.02 62.61 2j1u s SER 118 CO 0.00 0.02 -0.20 -0.76 1.20 0.00 0.00 173.24 173.51 2j1u s LEU 119 N 1.18 2.49 -0.35 3.45 1.43 1.00 -4.99 118.68 122.89 2j1u s LEU 119 Ca 0.02 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.64 2j1u s LEU 119 Cb -0.14 -1.46 0.08 0.00 0.03 0.00 0.00 46.19 44.70 2j1u s LEU 119 CO -0.05 0.26 0.10 -0.62 0.23 0.00 0.00 176.35 176.28 2j1u s ASP 120 N -1.32 5.10 0.00 2.29 3.68 -1.26 0.11 116.67 125.26 2j1u s ASP 120 Ca 0.14 -1.62 0.28 0.00 2.13 0.00 0.00 52.55 53.48 2j1u s ASP 120 Cb -0.10 -1.78 1.26 0.00 -1.45 0.00 0.00 42.92 40.85 2j1u s ASP 120 CO 0.04 -0.40 1.86 0.49 0.13 0.00 0.00 175.17 177.29 2j1u n PHE 121 N 4.62 0.01 -3.42 -5.34 3.72 -0.11 -4.95 117.46 111.99 2j1u n PHE 121 Ca -0.08 -0.01 -0.17 0.00 -0.05 0.00 0.00 57.45 57.15 2j1u n PHE 121 Cb 0.43 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.05 2j1u n PHE 121 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2j1u n LYS 122 N -0.16 -5.60 -3.28 -1.08 5.02 -1.24 -3.38 118.16 108.43 2j1u n LYS 122 Ca 0.20 0.83 -0.17 0.00 -2.02 0.00 0.00 58.31 57.15 2j1u n LYS 122 Cb 0.28 -5.79 0.06 0.00 -0.02 0.00 0.00 35.03 29.57 2j1u n LYS 122 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2j1u n GLU 123 N -3.97 -5.90 -3.22 1.97 1.02 -0.24 -4.96 120.64 105.33 2j1u n GLU 123 Ca -0.25 0.65 -0.38 0.00 -0.02 0.00 0.00 57.16 57.16 2j1u n GLU 123 Cb 0.66 -5.12 -0.06 0.00 -0.02 0.00 0.00 31.44 26.90 2j1u n GLU 123 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2j1u s LYS 124 N -5.76 4.23 -0.20 3.49 2.47 -0.70 -4.63 119.74 118.65 2j1u s LYS 124 Ca 0.33 0.78 -0.29 0.00 -1.56 0.00 0.00 55.97 55.24 2j1u s LYS 124 Cb -0.15 -3.17 0.00 0.00 -1.46 0.00 0.00 37.83 33.06 2j1u s LYS 124 CO 0.56 0.59 1.01 0.20 0.16 0.00 0.00 175.35 177.87 2j1u s GLY 125 N -1.25 1.88 0.04 5.54 0.00 -1.26 -0.76 107.32 111.51 2j1u s GLY 125 Ca 0.32 0.21 -0.16 0.00 0.00 0.00 0.00 44.72 45.09 2j1u s GLY 125 CO 0.20 2.09 0.36 0.00 0.00 0.00 0.00 173.10 175.75 2j1u s ALA 126 N 2.85 -0.86 -0.18 3.20 0.00 0.09 -4.73 121.76 122.14 2j1u s ALA 126 Ca 0.44 0.18 0.10 0.00 0.00 0.00 0.00 51.96 52.68 2j1u s ALA 126 Cb -0.16 0.33 -0.18 0.00 0.00 0.00 0.00 23.12 23.11 2j1u s ALA 126 CO 0.09 -0.43 -0.02 -2.13 0.00 0.00 0.00 175.76 173.27 2j1u n ARG 127 N 0.56 1.05 -5.15 0.00 0.63 -0.24 -0.55 116.66 112.96 2j1u n ARG 127 Ca -0.19 0.04 -0.30 0.00 -0.92 0.00 0.00 57.85 56.48 2j1u n ARG 127 Cb 0.60 -1.42 -0.16 0.00 0.45 0.00 0.00 32.46 31.92 2j1u n ARG 127 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2j1u s TYR 128 N -2.41 2.19 -0.18 -0.14 1.51 -0.87 -0.11 117.35 117.35 2j1u s TYR 128 Ca -0.15 -0.58 0.01 0.00 -1.01 0.00 0.00 57.07 55.34 2j1u s TYR 128 Cb 0.06 -1.44 0.02 0.00 -0.11 0.00 0.00 41.96 40.48 2j1u s TYR 128 CO 0.61 -0.15 -0.18 0.42 -1.11 0.00 0.00 175.55 175.14 2j1u s ILE 129 N -0.24 2.24 -0.04 2.71 1.09 -0.64 -1.57 121.20 124.75 2j1u s ILE 129 Ca 0.00 -0.88 0.05 0.00 -1.10 0.00 0.00 60.65 58.71 2j1u s ILE 129 Cb -0.12 -1.95 -0.02 0.00 -1.06 0.00 0.00 42.46 39.31 2j1u s ILE 129 CO 0.02 0.53 -0.17 -0.75 -0.10 0.00 0.00 174.94 174.46 2j1u s LYS 130 N 1.26 2.41 -0.19 2.79 2.20 0.07 -1.03 119.74 127.24 2j1u s LYS 130 Ca 0.04 -0.76 -0.00 0.00 -0.36 0.00 0.00 55.97 54.89 2j1u s LYS 130 Cb -0.13 -2.29 0.01 0.00 -1.51 0.00 0.00 37.83 33.91 2j1u s LYS 130 CO -0.11 0.60 -0.16 0.08 -0.36 0.00 0.00 175.35 175.41 2j1u s VAL 131 N -0.69 2.38 -0.15 4.02 1.01 0.61 -0.38 120.40 127.20 2j1u s VAL 131 Ca 0.11 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 2j1u s VAL 131 Cb -0.10 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.28 2j1u s VAL 131 CO 0.00 0.51 -0.07 -0.75 0.00 0.00 0.00 175.10 174.79 2j1u s LYS 132 N 1.34 1.55 0.32 2.72 2.20 -0.12 -0.84 119.74 126.91 2j1u s LYS 132 Ca 0.05 -0.44 -0.29 0.00 -0.36 0.00 0.00 55.97 54.93 2j1u s LYS 132 Cb -0.13 -1.88 -0.10 0.00 -1.51 0.00 0.00 37.83 34.20 2j1u s LYS 132 CO -0.11 -0.36 1.33 -0.51 -0.36 0.00 0.00 175.35 175.34 2j1u s LEU 133 N 1.64 4.42 0.03 5.43 1.43 -0.66 -0.73 118.68 130.24 2j1u s LEU 133 Ca 0.02 2.70 0.22 0.00 -1.03 0.00 0.00 54.13 56.04 2j1u s LEU 133 Cb -0.14 -3.65 -0.15 0.00 0.03 0.00 0.00 46.19 42.28 2j1u s LEU 133 CO -0.08 -0.57 0.80 0.18 0.23 0.00 0.00 176.35 176.91 2j1u n LEU 134 N 0.99 0.47 -4.56 1.79 4.77 -0.22 -4.53 117.00 115.71 2j1u n LEU 134 Ca 0.01 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.52 2j1u n LEU 134 Cb 0.42 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 2j1u n LEU 134 CO 0.59 0.03 0.49 -0.89 -1.33 0.00 0.00 177.39 176.29 2j1u s THR 135 N -3.31 4.76 0.70 -5.08 2.01 -1.26 -5.00 115.64 108.47 2j1u s THR 135 Ca -0.01 0.55 -0.13 0.00 0.31 0.00 0.00 61.69 62.41 2j1u s THR 135 Cb 0.14 -4.21 0.02 0.00 0.01 0.00 0.00 72.50 68.46 2j1u s THR 135 CO 0.85 -0.52 1.11 -0.44 -0.69 0.00 0.00 174.62 174.93 2j1u s SER 136 N 1.95 4.85 -0.15 3.53 0.01 -1.26 -3.86 113.70 118.77 2j1u s SER 136 Ca 0.28 1.94 0.00 0.00 1.31 0.00 0.00 55.95 59.48 2j1u s SER 136 Cb -0.13 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2j1u s SER 136 CO 0.18 -1.80 0.00 0.61 0.41 0.00 0.00 173.24 172.64 2j1u n GLY 137 N -0.75 0.49 3.11 3.44 0.00 0.25 -4.99 105.19 106.74 2j1u n GLY 137 Ca 0.10 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 2j1u n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j1u s VAL 138 N -2.05 1.76 0.38 1.61 1.01 -1.25 -4.83 120.40 117.03 2j1u s VAL 138 Ca 0.00 -0.81 -0.27 0.00 0.00 0.00 0.00 61.98 60.91 2j1u s VAL 138 Cb 0.00 -1.58 -0.09 0.00 0.00 0.00 0.00 36.38 34.71 2j1u s VAL 138 CO 0.00 0.49 1.29 -2.84 0.00 0.00 0.00 175.10 174.05 2j1u s PRO 139 N 0.85 4.11 -0.27 2.72 0.02 -1.26 -4.42 135.00 136.75 2j1u s PRO 139 Ca -0.08 2.15 -0.12 0.00 0.02 0.00 0.00 61.00 62.97 2j1u s PRO 139 Cb -0.15 -2.86 -0.05 0.00 0.02 0.00 0.00 34.50 31.46 2j1u s PRO 139 CO -0.01 -0.37 0.23 -1.17 -0.33 0.00 0.00 177.00 175.35 2j1u s LEU 140 N -2.22 4.04 -0.08 -5.54 2.96 -1.26 -4.87 118.68 111.72 2j1u s LEU 140 Ca 0.54 0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.57 2j1u s LEU 140 Cb -0.38 -2.20 0.01 0.00 0.50 0.00 0.00 46.19 44.12 2j1u s LEU 140 CO 0.49 -0.06 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.84 2j1u s SER 141 N 1.62 2.35 -0.06 3.68 0.01 -1.26 -1.71 113.70 118.32 2j1u s SER 141 Ca 0.09 -0.41 0.01 0.00 1.31 0.00 0.00 55.95 56.96 2j1u s SER 141 Cb -0.16 -1.03 0.02 0.00 0.21 0.00 0.00 66.02 65.06 2j1u s SER 141 CO 0.10 0.10 -0.08 -0.76 0.41 0.00 0.00 173.24 173.00 2j1u s LEU 142 N 0.46 1.44 0.14 2.44 1.43 -1.24 -4.08 118.68 119.27 2j1u s LEU 142 Ca -0.15 -0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 52.63 2j1u s LEU 142 Cb -0.16 -0.67 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 2j1u s LEU 142 CO 0.06 -0.02 1.39 0.00 0.23 0.00 0.00 176.35 178.01 2j1u h ALA 143 N 7.23 0.47 -1.57 4.21 0.00 -1.08 -0.59 119.26 127.93 2j1u h ALA 143 Ca -0.33 -0.55 0.07 0.00 0.00 0.00 0.00 54.91 54.09 2j1u h ALA 143 Cb 1.17 -0.06 -0.26 0.00 0.00 0.00 0.00 17.79 18.64 2j1u h ALA 143 CO 0.46 0.69 0.49 -2.00 0.00 0.00 0.00 179.25 178.89 2j1u s GLU 144 N -3.92 0.51 -0.18 0.00 2.56 -1.12 -4.35 118.70 112.19 2j1u s GLU 144 Ca -0.09 0.48 0.01 0.00 0.00 0.00 0.00 54.97 55.36 2j1u s GLU 144 Cb 0.10 0.25 0.04 0.00 2.00 0.00 0.00 34.13 36.51 2j1u s GLU 144 CO 0.88 -0.09 -0.11 0.08 -0.56 0.00 0.00 175.26 175.46 2j1u s VAL 145 N -0.08 1.60 -0.10 3.70 1.01 0.59 -0.41 120.40 126.71 2j1u s VAL 145 Ca 0.02 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 2j1u s VAL 145 Cb -0.04 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2j1u s VAL 145 CO -0.05 0.24 -0.05 -1.61 0.00 0.00 0.00 175.10 173.63 2j1u s GLU 146 N 1.43 3.12 -0.06 2.72 2.02 0.21 -4.72 118.70 123.42 2j1u s GLU 146 Ca 0.00 -0.52 0.02 0.00 0.02 0.00 0.00 54.97 54.49 2j1u s GLU 146 Cb -0.15 -2.73 0.02 0.00 0.10 0.00 0.00 34.13 31.36 2j1u s GLU 146 CO -0.09 0.52 -0.09 0.08 0.02 0.00 0.00 175.26 175.69 2j1u s VAL 147 N -0.39 0.93 0.19 2.63 1.01 -1.26 -0.89 120.40 122.61 2j1u s VAL 147 Ca 0.06 -0.35 0.10 0.00 0.00 0.00 0.00 61.98 61.79 2j1u s VAL 147 Cb -0.12 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2j1u s VAL 147 CO 0.02 0.31 -0.20 -0.36 0.00 0.00 0.00 175.10 174.87 2j1u s PHE 148 N 0.78 2.03 -0.63 5.22 0.08 -0.20 -0.43 117.98 124.83 2j1u s PHE 148 Ca -0.13 -0.42 0.25 0.00 0.12 0.00 0.00 56.93 56.75 2j1u s PHE 148 Cb -0.15 -0.99 0.54 0.00 -0.57 0.00 0.00 43.02 41.85 2j1u s PHE 148 CO 0.02 0.44 1.57 0.00 -0.10 0.00 0.00 175.22 177.15 2j1u h ARG 149 N 3.08 0.00 -0.00 0.44 3.08 -1.77 0.17 114.38 119.38 2j1u h ARG 149 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2j1u h ARG 149 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2j1u h ARG 149 CO 0.52 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.81