#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4u s SER 2 N 0.00 5.68 -0.02 1.61 0.15 -1.26 -4.96 113.70 114.89 1x4u s SER 2 Ca 0.00 -1.84 -0.14 0.00 0.70 0.00 0.00 55.95 54.67 1x4u s SER 2 Cb 0.00 -2.00 -0.08 0.00 -1.71 0.00 0.00 66.02 62.23 1x4u s SER 2 CO 0.00 -0.66 0.67 0.28 1.20 0.00 0.00 173.24 174.73 1x4u h SER 3 N 8.43 -0.42 -4.36 5.45 0.02 -2.14 -3.49 113.55 117.03 1x4u h SER 3 Ca -0.21 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1x4u h SER 3 Cb 1.07 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1x4u h SER 3 CO 0.84 -0.09 -0.43 0.61 -1.14 0.00 0.00 176.83 176.61 1x4u n GLY 4 N 0.26 -2.18 3.60 -3.77 0.00 -1.26 -5.08 105.19 96.76 1x4u n GLY 4 Ca -0.06 0.51 -0.01 0.00 0.00 0.00 0.00 46.02 46.46 1x4u n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4u s SER 5 N -1.58 -1.01 0.37 1.61 1.04 -1.26 -5.17 113.70 107.69 1x4u s SER 5 Ca 0.09 1.41 0.06 0.00 0.48 0.00 0.00 55.95 57.99 1x4u s SER 5 Cb -0.03 2.10 -0.00 0.00 0.10 0.00 0.00 66.02 68.19 1x4u s SER 5 CO 0.48 -0.20 0.52 -0.94 0.98 0.00 0.00 173.24 174.08 1x4u s SER 6 N 2.69 5.87 -0.30 7.02 1.04 -1.26 -5.11 113.70 123.64 1x4u s SER 6 Ca -0.06 -0.18 -0.10 0.00 0.48 0.00 0.00 55.95 56.09 1x4u s SER 6 Cb -0.10 -1.13 0.18 0.00 0.10 0.00 0.00 66.02 65.07 1x4u s SER 6 CO -0.19 -0.55 0.95 -0.83 0.98 0.00 0.00 173.24 173.60 1x4u s GLY 7 N -4.22 -0.56 0.14 7.32 0.00 -1.26 -5.17 107.32 103.56 1x4u s GLY 7 Ca 0.48 2.46 -0.09 0.00 0.00 0.00 0.00 44.72 47.58 1x4u s GLY 7 CO 0.32 3.76 0.25 0.50 0.00 0.00 0.00 173.10 177.94 1x4u s ARG 8 N 2.93 1.07 0.13 2.90 0.52 -1.26 -5.15 118.95 120.09 1x4u s ARG 8 Ca 0.06 -1.12 -0.25 0.00 -0.52 0.00 0.00 55.73 53.91 1x4u s ARG 8 Cb -0.10 0.36 -0.07 0.00 0.52 0.00 0.00 34.95 35.66 1x4u s ARG 8 CO -0.15 -0.38 0.75 0.71 0.02 0.00 0.00 175.30 176.26 1x4u s TYR 9 N -3.94 3.86 -2.00 -0.53 2.02 -1.26 -4.93 117.35 110.57 1x4u s TYR 9 Ca 0.14 1.56 0.07 0.00 -0.37 0.00 0.00 57.07 58.47 1x4u s TYR 9 Cb 0.04 -2.74 0.40 0.00 -0.40 0.00 0.00 41.96 39.26 1x4u s TYR 9 CO -0.03 0.48 0.86 -0.35 -1.57 0.00 0.00 175.55 174.94 1x4u n PRO 10 N 1.84 0.49 -0.90 -1.71 -0.04 -1.26 -4.89 135.00 128.53 1x4u n PRO 10 Ca -0.06 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.11 1x4u n PRO 10 Cb 0.49 -1.21 -0.01 0.00 -0.04 0.00 0.00 33.50 32.73 1x4u n PRO 10 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1x4u n THR 11 N -0.71 0.84 -3.61 0.52 5.66 -1.26 -4.97 114.28 110.74 1x4u n THR 11 Ca 0.05 -0.33 -0.05 0.00 -3.05 0.00 0.00 64.05 60.66 1x4u n THR 11 Cb 0.02 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.76 1x4u n THR 11 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1x4u s ASN 12 N -0.67 -0.17 0.29 1.09 2.47 -1.26 -5.14 114.94 111.54 1x4u s ASN 12 Ca 0.41 0.18 -0.30 0.00 0.42 0.00 0.00 52.86 53.57 1x4u s ASN 12 Cb -0.51 0.14 -0.12 0.00 -1.45 0.00 0.00 41.25 39.31 1x4u s ASN 12 CO 0.40 -0.16 1.48 0.59 -3.72 0.00 0.00 177.10 175.69 1x4u n ASN 13 N 0.58 3.32 -4.00 -4.21 3.02 -1.26 -4.98 115.26 107.73 1x4u n ASN 13 Ca -0.04 1.16 -0.31 0.00 -0.03 0.00 0.00 54.58 55.36 1x4u n ASN 13 Cb 0.58 -1.52 -0.15 0.00 -0.61 0.00 0.00 39.78 38.08 1x4u n ASN 13 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1x4u s PHE 14 N -0.24 3.41 0.09 3.10 0.08 -1.26 -4.96 117.98 118.19 1x4u s PHE 14 Ca 0.64 -2.68 0.02 0.00 0.12 0.00 0.00 56.93 55.03 1x4u s PHE 14 Cb -0.56 -2.52 -0.24 0.00 -0.57 0.00 0.00 43.02 39.13 1x4u s PHE 14 CO 0.52 -0.92 1.17 0.78 -0.10 0.00 0.00 175.22 176.67 1x4u h GLY 15 N 7.70 0.13 -3.31 4.36 0.00 -2.00 -3.46 103.07 106.50 1x4u h GLY 15 Ca -0.09 -0.34 -0.58 0.00 0.00 0.00 0.00 47.33 46.31 1x4u h GLY 15 CO 0.50 0.30 -0.80 -1.31 0.00 0.00 0.00 176.54 175.22 1x4u s ASN 16 N -6.86 3.01 0.63 0.19 0.02 -1.26 -4.01 114.94 106.66 1x4u s ASN 16 Ca -0.02 -0.85 -0.17 0.00 -1.02 0.00 0.00 52.86 50.79 1x4u s ASN 16 Cb 0.09 -0.20 -0.11 0.00 0.02 0.00 0.00 41.25 41.04 1x4u s ASN 16 CO 0.85 0.04 0.07 0.00 0.02 0.00 0.00 177.10 178.07 1x4u n THR 18 N -1.86 2.70 0.11 0.00 -1.04 -1.02 -3.16 114.28 110.01 1x4u n THR 18 Ca 0.08 -1.49 0.00 0.00 -2.04 0.00 0.00 64.05 60.60 1x4u n THR 18 Cb 0.49 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 1x4u n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1x4u n GLY 19 N -0.53 -0.23 0.55 3.41 0.00 -1.26 -4.91 105.19 102.22 1x4u n GLY 19 Ca 0.43 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.52 1x4u n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4u n SER 21 N 0.69 -5.29 -4.59 0.00 7.64 -1.19 -4.92 113.62 105.97 1x4u n SER 21 Ca 0.08 0.02 -0.42 0.00 1.01 0.00 0.00 58.87 59.56 1x4u n SER 21 Cb 0.36 -4.36 -0.02 0.00 -1.01 0.00 0.00 64.21 59.17 1x4u n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x4u s ALA 22 N -2.89 2.93 0.55 -0.43 0.00 -1.26 -4.56 121.76 116.10 1x4u s ALA 22 Ca 0.00 -0.54 -0.21 0.00 0.00 0.00 0.00 51.96 51.21 1x4u s ALA 22 Cb 0.00 -4.03 -0.04 0.00 0.00 0.00 0.00 23.12 19.04 1x4u s ALA 22 CO 0.00 -2.69 1.31 0.99 0.00 0.00 0.00 175.76 175.37 1x4u s THR 23 N 5.59 2.24 -0.33 0.00 2.01 -1.26 -2.67 115.64 121.22 1x4u s THR 23 Ca 0.53 0.18 -0.10 0.00 0.31 0.00 0.00 61.69 62.60 1x4u s THR 23 Cb -0.11 -3.09 0.01 0.00 0.01 0.00 0.00 72.50 69.33 1x4u s THR 23 CO 0.28 -0.01 0.17 -0.36 -0.69 0.00 0.00 174.62 174.01 1x4u s PHE 24 N -1.37 3.20 0.00 4.92 0.40 -1.26 -4.73 117.98 119.14 1x4u s PHE 24 Ca 0.73 -0.72 0.00 0.00 -0.60 0.00 0.00 56.93 56.33 1x4u s PHE 24 Cb -0.38 -2.39 0.00 0.00 0.51 0.00 0.00 43.02 40.77 1x4u s PHE 24 CO 0.44 -0.53 0.00 0.43 0.70 0.00 0.00 175.22 176.26 1x4u n SER 25 N 4.99 0.00 0.00 1.36 7.64 -1.25 -5.01 113.62 121.34 1x4u n SER 25 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1x4u n SER 25 Cb 0.48 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1x4u n SER 25 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1x4u n VAL 26 N -1.67 0.00 -0.02 0.44 0.24 -1.26 -4.93 118.33 111.12 1x4u n VAL 26 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 1x4u n VAL 26 Cb 0.00 -0.36 -0.00 0.00 -1.47 0.00 0.00 33.84 32.01 1x4u n VAL 26 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1x4u h LEU 27 N 0.00 0.00 -9.61 1.34 4.07 -1.95 -3.46 115.31 105.70 1x4u h LEU 27 Ca 0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 1x4u h LEU 27 Cb 0.36 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.13 1x4u h LEU 27 CO 0.00 0.22 0.70 -0.75 -1.08 0.00 0.00 178.44 177.53 1x4u s LYS 28 N -1.30 4.34 -0.12 1.13 2.47 -1.26 -5.02 119.74 119.98 1x4u s LYS 28 Ca -0.02 2.09 -0.05 0.00 -1.56 0.00 0.00 55.97 56.42 1x4u s LYS 28 Cb 0.00 -3.22 -0.04 0.00 -1.46 0.00 0.00 37.83 33.12 1x4u s LYS 28 CO 0.03 -0.37 0.07 0.15 0.16 0.00 0.00 175.35 175.40 1x4u s LYS 29 N 0.52 3.41 -0.79 4.03 1.02 -1.26 -3.96 119.74 122.70 1x4u s LYS 29 Ca 0.61 -0.28 -0.25 0.00 0.02 0.00 0.00 55.97 56.07 1x4u s LYS 29 Cb -0.37 -3.06 -0.08 0.00 -0.52 0.00 0.00 37.83 33.80 1x4u s LYS 29 CO 0.34 0.63 2.16 0.50 -0.92 0.00 0.00 175.35 178.07 1x4u s ARG 30 N -0.65 2.14 0.23 1.68 6.06 -1.26 -4.38 118.95 122.77 1x4u s ARG 30 Ca 0.12 0.26 -0.16 0.00 -2.50 0.00 0.00 55.73 53.44 1x4u s ARG 30 Cb -0.12 -4.85 -0.08 0.00 0.06 0.00 0.00 34.95 29.97 1x4u s ARG 30 CO 0.02 -3.74 0.67 1.03 -2.50 0.00 0.00 175.30 170.78 1x4u s ARG 31 N 7.88 4.08 -0.10 5.12 0.52 0.29 -4.88 118.95 131.86 1x4u s ARG 31 Ca 0.81 0.67 -0.00 0.00 -0.52 0.00 0.00 55.73 56.69 1x4u s ARG 31 Cb -0.11 -2.75 -0.03 0.00 0.52 0.00 0.00 34.95 32.59 1x4u s ARG 31 CO 0.07 0.34 -0.08 -1.12 0.02 0.00 0.00 175.30 174.53 1x4u s SER 32 N -1.90 4.51 0.89 0.23 0.01 -1.26 0.61 113.70 116.79 1x4u s SER 32 Ca 0.45 -0.11 -0.11 0.00 1.31 0.00 0.00 55.95 57.48 1x4u s SER 32 Cb -0.14 -1.35 0.13 0.00 0.21 0.00 0.00 66.02 64.87 1x4u s SER 32 CO 0.20 0.28 1.09 0.00 0.41 0.00 0.00 173.24 175.22 1x4u n SER 34 N -3.89 0.69 0.00 0.00 2.88 -1.09 -3.84 113.62 108.38 1x4u n SER 34 Ca 0.07 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1x4u n SER 34 Cb 0.55 0.70 0.00 0.00 -0.75 0.00 0.00 64.21 64.71 1x4u n SER 34 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1x4u n ASN 35 N -2.80 0.00 -0.03 -3.46 5.15 -1.26 -4.52 115.26 108.35 1x4u n ASN 35 Ca -0.33 0.18 -0.03 0.00 -0.60 0.00 0.00 54.58 53.79 1x4u n ASN 35 Cb 1.08 -0.24 0.20 0.00 -0.53 0.00 0.00 39.78 40.29 1x4u n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1x4u n GLY 37 N -0.52 0.75 3.92 0.00 0.00 -1.25 -5.02 105.19 103.07 1x4u n GLY 37 Ca 0.01 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 1x4u n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x4u s ASN 38 N -3.00 4.75 0.25 1.61 0.01 -1.26 -4.68 114.94 112.61 1x4u s ASN 38 Ca 0.02 -1.12 -0.20 0.00 -0.71 0.00 0.00 52.86 50.84 1x4u s ASN 38 Cb -0.01 0.27 -0.09 0.00 0.41 0.00 0.00 41.25 41.84 1x4u s ASN 38 CO 0.02 -1.08 0.76 -0.44 -1.51 0.00 0.00 177.10 174.85 1x4u s SER 39 N -4.32 7.06 0.25 -1.22 0.01 -1.26 -0.16 113.70 114.07 1x4u s SER 39 Ca 0.40 1.46 -0.20 0.00 1.31 0.00 0.00 55.95 58.92 1x4u s SER 39 Cb -0.03 -2.44 0.02 0.00 0.21 0.00 0.00 66.02 63.79 1x4u s SER 39 CO 0.25 -0.01 0.66 -0.36 0.41 0.00 0.00 173.24 174.19 1x4u s PHE 40 N -1.59 -0.17 0.58 2.43 0.08 0.20 -2.43 117.98 117.08 1x4u s PHE 40 Ca 0.45 -0.24 -0.04 0.00 0.12 0.00 0.00 56.93 57.22 1x4u s PHE 40 Cb -0.16 0.61 0.12 0.00 -0.57 0.00 0.00 43.02 43.02 1x4u s PHE 40 CO 0.21 -1.14 0.79 0.00 -0.10 0.00 0.00 175.22 174.98 1x4u n SER 42 N -3.17 0.42 -0.03 0.00 2.88 -1.26 -2.04 113.62 110.42 1x4u n SER 42 Ca 0.12 -1.52 -0.02 0.00 -1.33 0.00 0.00 58.87 56.12 1x4u n SER 42 Cb 0.42 -0.03 -0.08 0.00 -0.75 0.00 0.00 64.21 63.77 1x4u n SER 42 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1x4u n ARG 43 N -0.49 1.77 -0.05 -1.46 0.63 -1.26 -4.54 116.66 111.26 1x4u n ARG 43 Ca 0.14 -0.03 -0.17 0.00 -0.92 0.00 0.00 57.85 56.87 1x4u n ARG 43 Cb 0.13 -1.25 -0.14 0.00 0.45 0.00 0.00 32.46 31.65 1x4u n ARG 43 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x4u n SER 46 N 0.14 3.92 -4.21 0.00 2.88 -1.22 -4.46 113.62 110.66 1x4u n SER 46 Ca 0.42 -3.61 -0.35 0.00 -1.33 0.00 0.00 58.87 53.99 1x4u n SER 46 Cb 0.57 -0.39 -0.14 0.00 -0.75 0.00 0.00 64.21 63.51 1x4u n SER 46 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1x4u s PHE 47 N -3.46 3.22 -0.05 0.66 0.08 -1.18 -4.95 117.98 112.30 1x4u s PHE 47 Ca 0.46 -1.68 -0.30 0.00 0.12 0.00 0.00 56.93 55.53 1x4u s PHE 47 Cb 0.39 -2.13 -0.03 0.00 -0.57 0.00 0.00 43.02 40.68 1x4u s PHE 47 CO 0.01 -0.76 1.13 0.15 -0.10 0.00 0.00 175.22 175.65 1x4u s LYS 48 N 1.31 4.40 -0.00 0.44 1.02 -1.25 -0.92 119.74 124.73 1x4u s LYS 48 Ca -0.03 1.59 -0.16 0.00 0.02 0.00 0.00 55.97 57.39 1x4u s LYS 48 Cb -0.19 -3.52 0.03 0.00 -0.52 0.00 0.00 37.83 33.63 1x4u s LYS 48 CO -0.01 -0.35 0.35 0.14 -0.92 0.00 0.00 175.35 174.56 1x4u s VAL 49 N 1.91 0.06 0.05 3.17 -7.23 0.69 -4.90 120.40 114.16 1x4u s VAL 49 Ca 0.54 -0.47 -0.31 0.00 -1.81 0.00 0.00 61.98 59.93 1x4u s VAL 49 Cb -0.23 -0.75 -0.07 0.00 0.56 0.00 0.00 36.38 35.89 1x4u s VAL 49 CO 0.22 -0.26 1.40 -2.16 -0.31 0.00 0.00 175.10 174.00 1x4u s PRO 50 N -1.67 4.30 0.07 4.82 0.04 -1.26 -0.26 135.00 141.04 1x4u s PRO 50 Ca -0.11 2.03 -0.10 0.00 0.04 0.00 0.00 61.00 62.86 1x4u s PRO 50 Cb -0.03 -3.43 -0.27 0.00 0.04 0.00 0.00 34.50 30.80 1x4u s PRO 50 CO 0.03 -0.51 1.12 1.57 0.04 0.00 0.00 177.00 179.25 1x4u h LYS 51 N 7.40 0.45 -0.60 4.56 2.10 -1.92 -3.31 116.57 125.25 1x4u h LYS 51 Ca -0.40 -0.67 0.03 0.00 -2.00 0.00 0.00 60.65 57.61 1x4u h LYS 51 Cb 1.19 0.23 -0.04 0.00 -0.90 0.00 0.00 32.23 32.72 1x4u h LYS 51 CO 0.88 1.30 0.36 1.03 -2.00 0.00 0.00 179.45 181.02 1x4u h SER 52 N 0.17 0.57 -0.51 7.07 0.87 -1.82 -2.71 113.55 117.20 1x4u h SER 52 Ca -0.17 0.01 0.10 0.00 -1.23 0.00 0.00 61.79 60.50 1x4u h SER 52 Cb 1.95 -0.11 -0.10 0.00 -0.44 0.00 0.00 62.40 63.69 1x4u h SER 52 CO 0.22 0.40 -0.23 0.28 -0.53 0.00 0.00 176.83 176.97 1x4u h SER 53 N 0.70 -0.81 -0.89 6.23 0.02 -1.84 0.16 113.55 117.12 1x4u h SER 53 Ca 0.25 0.19 0.20 0.00 -0.84 0.00 0.00 61.79 61.58 1x4u h SER 53 Cb 0.05 0.44 -0.11 0.00 0.14 0.00 0.00 62.40 62.91 1x4u h SER 53 CO -0.11 -0.25 0.42 0.24 -1.14 0.00 0.00 176.83 175.98 1x4u h MET 54 N -0.12 0.47 0.00 3.45 2.86 -1.61 -3.40 114.93 116.59 1x4u h MET 54 Ca 0.23 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1x4u h MET 54 Cb 0.48 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1x4u h MET 54 CO -0.58 0.31 0.00 0.41 1.06 0.00 0.00 176.91 178.11 1x4u n GLY 55 N -1.33 -1.30 2.33 8.32 0.00 0.25 0.12 105.19 113.58 1x4u n GLY 55 Ca 0.21 0.89 -0.43 0.00 0.00 0.00 0.00 46.02 46.68 1x4u n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4u n ALA 56 N 0.00 0.04 -2.49 4.61 0.00 0.30 -4.80 120.51 118.18 1x4u n ALA 56 Ca 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.54 1x4u n ALA 56 Cb 0.00 -1.46 0.05 0.00 0.00 0.00 0.00 19.45 18.04 1x4u n ALA 56 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1x4u n THR 57 N 4.42 1.50 -3.63 0.00 5.66 -1.26 -5.06 114.28 115.90 1x4u n THR 57 Ca 0.37 -3.03 -0.05 0.00 -3.05 0.00 0.00 64.05 58.29 1x4u n THR 57 Cb -0.03 0.50 -0.06 0.00 -1.55 0.00 0.00 70.33 69.20 1x4u n THR 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x4u s ALA 58 N -3.20 -2.09 -1.04 1.79 0.00 -1.26 -4.98 121.76 110.98 1x4u s ALA 58 Ca 0.35 1.76 0.14 0.00 0.00 0.00 0.00 51.96 54.21 1x4u s ALA 58 Cb 0.36 -1.42 0.62 0.00 0.00 0.00 0.00 23.12 22.67 1x4u s ALA 58 CO -0.04 -0.21 1.45 -0.35 0.00 0.00 0.00 175.76 176.61 1x4u n PRO 59 N 1.22 0.02 -0.06 0.00 -0.04 -1.26 -3.52 135.00 131.36 1x4u n PRO 59 Ca -0.08 0.25 -0.11 0.00 -0.04 0.00 0.00 63.50 63.52 1x4u n PRO 59 Cb 0.57 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 1x4u n PRO 59 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x4u n GLU 60 N -1.48 0.25 -1.53 0.54 0.28 -1.26 -4.93 120.64 112.51 1x4u n GLU 60 Ca 0.04 0.10 -0.32 0.00 -0.16 0.00 0.00 57.16 56.82 1x4u n GLU 60 Cb 0.16 -0.99 -0.09 0.00 1.43 0.00 0.00 31.44 31.96 1x4u n GLU 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x4u n ALA 61 N -3.35 0.61 0.04 -1.84 0.00 -1.23 -4.49 120.51 110.26 1x4u n ALA 61 Ca -0.22 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.38 1x4u n ALA 61 Cb 0.67 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 17.22 1x4u n ALA 61 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1x4u n GLN 62 N 8.50 0.00 -2.17 0.00 6.02 -1.26 -4.56 117.38 123.91 1x4u n GLN 62 Ca 0.49 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 57.35 1x4u n GLN 62 Cb 0.35 -0.18 0.04 0.00 1.02 0.00 0.00 30.24 31.48 1x4u n GLN 62 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1x4u n ARG 63 N -2.99 2.70 -2.20 -1.09 1.74 -1.26 -4.62 116.66 108.94 1x4u n ARG 63 Ca 0.00 -3.80 -0.27 0.00 -0.77 0.00 0.00 57.85 53.01 1x4u n ARG 63 Cb 0.11 -1.92 0.12 0.00 -1.02 0.00 0.00 32.46 29.75 1x4u n ARG 63 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1x4u s GLU 64 N -3.50 1.50 -0.06 5.56 2.56 -1.26 -5.06 118.70 118.43 1x4u s GLU 64 Ca 0.41 -0.54 -0.00 0.00 0.00 0.00 0.00 54.97 54.85 1x4u s GLU 64 Cb 0.38 -2.09 0.03 0.00 2.00 0.00 0.00 34.13 34.44 1x4u s GLU 64 CO -0.00 -1.72 -0.02 0.95 -0.56 0.00 0.00 175.26 173.90 1x4u s THR 65 N -3.46 0.48 0.32 -1.70 -4.23 -1.26 -4.06 115.64 101.73 1x4u s THR 65 Ca 0.67 0.01 0.10 0.00 -1.18 0.00 0.00 61.69 61.28 1x4u s THR 65 Cb -0.07 -0.58 -0.06 0.00 1.34 0.00 0.00 72.50 73.14 1x4u s THR 65 CO 0.48 0.25 -0.12 0.68 -0.54 0.00 0.00 174.62 175.37 1x4u s VAL 66 N 1.57 2.26 -0.18 2.29 -7.23 0.64 -4.84 120.40 114.90 1x4u s VAL 66 Ca -0.01 -2.26 -0.12 0.00 -1.81 0.00 0.00 61.98 57.78 1x4u s VAL 66 Cb -0.13 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.24 1x4u s VAL 66 CO -0.04 -0.27 0.22 -0.36 -0.31 0.00 0.00 175.10 174.35 1x4u s PHE 67 N -2.61 3.43 0.33 2.82 0.08 -1.26 -0.22 117.98 120.55 1x4u s PHE 67 Ca 0.31 0.47 0.05 0.00 0.12 0.00 0.00 56.93 57.89 1x4u s PHE 67 Cb 0.00 -2.27 -0.06 0.00 -0.57 0.00 0.00 43.02 40.12 1x4u s PHE 67 CO 0.16 0.24 0.01 0.14 -0.10 0.00 0.00 175.22 175.66 1x4u s VAL 68 N 0.48 1.53 0.14 -0.44 -7.23 -0.10 -2.66 120.40 112.13 1x4u s VAL 68 Ca 0.13 -2.05 -0.23 0.00 -1.81 0.00 0.00 61.98 58.02 1x4u s VAL 68 Cb -0.12 -2.72 -0.08 0.00 0.56 0.00 0.00 36.38 34.03 1x4u s VAL 68 CO 0.02 -0.11 0.71 0.00 -0.31 0.00 0.00 175.10 175.40 1x4u n ALA 70 N 1.53 -0.23 -0.32 0.00 0.00 -0.35 0.16 120.51 121.30 1x4u n ALA 70 Ca -0.07 0.69 0.19 0.00 0.00 0.00 0.00 53.44 54.25 1x4u n ALA 70 Cb 0.50 -0.24 0.37 0.00 0.00 0.00 0.00 19.45 20.07 1x4u n ALA 70 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x4u h SER 71 N 0.00 -0.11 0.02 0.00 0.87 -1.93 0.23 113.55 112.64 1x4u h SER 71 Ca 0.20 0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 61.01 1x4u h SER 71 Cb 0.39 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1x4u h SER 71 CO -0.71 -0.31 -0.01 0.00 -0.53 0.00 0.00 176.83 175.27 1x4u n ASN 73 N -4.74 0.29 -0.09 0.00 5.15 0.23 0.15 115.26 116.24 1x4u n ASN 73 Ca -0.04 1.56 -0.12 0.00 -0.60 0.00 0.00 54.58 55.38 1x4u n ASN 73 Cb 0.18 -0.74 -0.04 0.00 -0.53 0.00 0.00 39.78 38.65 1x4u n ASN 73 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 1x4u h GLN 74 N 0.00 0.52 -0.17 1.20 4.20 -1.10 -1.81 115.11 117.95 1x4u h GLN 74 Ca 0.78 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 59.26 1x4u h GLN 74 Cb 2.02 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.77 1x4u h GLN 74 CO -0.74 0.74 0.02 1.15 -0.67 0.00 0.00 178.83 179.33 1x4u h THR 75 N 0.27 1.24 0.44 -0.54 2.02 0.14 0.15 112.91 116.62 1x4u h THR 75 Ca 0.07 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 1x4u h THR 75 Cb 0.56 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1x4u h THR 75 CO 0.03 0.24 -0.34 -0.07 0.37 0.00 0.00 175.52 175.74 1x4u h LEU 76 N 0.06 -0.90 -1.21 2.58 3.38 -0.57 -2.63 115.31 116.02 1x4u h LEU 76 Ca 0.05 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1x4u h LEU 76 Cb 0.34 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1x4u h LEU 76 CO 0.01 -0.51 0.14 0.77 0.09 0.00 0.00 178.44 178.94 1x4u h SER 77 N -0.77 0.63 -1.85 -0.43 4.64 -1.36 -3.44 113.55 110.96 1x4u h SER 77 Ca -0.04 -0.09 -0.66 0.00 -0.47 0.00 0.00 61.79 60.53 1x4u h SER 77 Cb 0.66 -0.16 0.04 0.00 -0.31 0.00 0.00 62.40 62.64 1x4u h SER 77 CO -0.00 0.61 0.70 1.17 -0.87 0.00 0.00 176.83 178.43 1x4u n LYS 78 N -4.32 1.54 -1.40 4.77 4.81 0.53 -4.68 118.16 119.41 1x4u n LYS 78 Ca 0.03 0.56 -0.49 0.00 -0.87 0.00 0.00 58.31 57.54 1x4u n LYS 78 Cb 0.19 -2.26 -0.13 0.00 0.02 0.00 0.00 35.03 32.84 1x4u n LYS 78 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1x4u n SER 79 N 3.77 0.62 -3.89 3.14 3.41 -1.26 -4.84 113.62 114.57 1x4u n SER 79 Ca 0.20 0.37 -0.08 0.00 -0.26 0.00 0.00 58.87 59.10 1x4u n SER 79 Cb 0.22 -0.95 -0.03 0.00 -0.26 0.00 0.00 64.21 63.19 1x4u n SER 79 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x4u s GLY 80 N 7.81 0.09 0.96 5.00 0.00 -1.26 -5.15 107.32 114.76 1x4u s GLY 80 Ca 1.27 -0.46 -0.12 0.00 0.00 0.00 0.00 44.72 45.41 1x4u s GLY 80 CO 0.55 -0.25 1.09 2.56 0.00 0.00 0.00 173.10 177.05 1x4u s PRO 81 N -3.94 0.75 -0.73 2.90 0.04 -1.26 -4.99 135.00 127.76 1x4u s PRO 81 Ca 0.14 0.64 -0.13 0.00 0.04 0.00 0.00 61.00 61.69 1x4u s PRO 81 Cb -0.04 -1.76 0.19 0.00 0.04 0.00 0.00 34.50 32.93 1x4u s PRO 81 CO 0.07 -2.54 0.67 0.45 0.04 0.00 0.00 177.00 175.68 1x4u s SER 82 N -3.44 6.48 -0.30 6.66 0.15 -1.26 -4.94 113.70 117.05 1x4u s SER 82 Ca 0.65 -2.47 -0.13 0.00 0.70 0.00 0.00 55.95 54.70 1x4u s SER 82 Cb -0.18 -2.17 0.18 0.00 -1.71 0.00 0.00 66.02 62.13 1x4u s SER 82 CO 0.57 -0.63 1.04 -0.55 1.20 0.00 0.00 173.24 174.88 1x4u s SER 83 N 2.39 -0.46 0.00 5.45 0.15 -1.25 -4.94 113.70 115.04 1x4u s SER 83 Ca 0.14 0.25 0.00 0.00 0.70 0.00 0.00 55.95 57.04 1x4u s SER 83 Cb -0.16 1.37 0.00 0.00 -1.71 0.00 0.00 66.02 65.52 1x4u s SER 83 CO -0.06 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.91