#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 6.25 -0.19 1.61 0.15 -1.26 -5.00 113.70 115.27 1x4u s SER 2 Ca 0.00 -0.77 -0.04 0.00 0.70 0.00 0.00 55.95 55.84 1x4u s SER 2 Cb 0.00 -2.36 0.06 0.00 -1.71 0.00 0.00 66.02 62.02 1x4u s SER 2 CO 0.00 -1.09 0.07 -0.94 1.20 0.00 0.00 173.24 172.48 1x4u s SER 3 N 2.93 2.71 0.00 5.45 1.04 -1.26 -5.08 113.70 119.49 1x4u s SER 3 Ca 0.21 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1x4u s SER 3 Cb -0.17 -0.41 0.00 0.00 0.10 0.00 0.00 66.02 65.54 1x4u s SER 3 CO 0.14 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1x4u n GLY 4 N 5.17 0.54 3.09 7.32 0.00 -1.26 -5.00 105.19 115.05 1x4u n GLY 4 Ca -0.08 -1.49 -0.36 0.00 0.00 0.00 0.00 46.02 44.09 1x4u n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4u n SER 5 N -0.36 -5.14 0.07 1.61 7.64 -1.26 -4.88 113.62 111.30 1x4u n SER 5 Ca 0.00 0.28 -0.13 0.00 1.01 0.00 0.00 58.87 60.03 1x4u n SER 5 Cb 0.00 -0.83 -0.08 0.00 -1.01 0.00 0.00 64.21 62.29 1x4u n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x4u h SER 6 N -0.87 -0.13 0.00 6.43 0.02 -2.04 -3.48 113.55 113.48 1x4u h SER 6 Ca -0.44 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.33 1x4u h SER 6 Cb 1.32 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1x4u h SER 6 CO 0.28 0.11 0.00 0.61 -1.14 0.00 0.00 176.83 176.69 1x4u n GLY 7 N -0.56 2.75 3.67 -3.77 0.00 -1.26 -5.07 105.19 100.95 1x4u n GLY 7 Ca -0.08 -0.76 -0.50 0.00 0.00 0.00 0.00 46.02 44.68 1x4u n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1x4u n ARG 8 N 0.00 1.92 -3.85 1.61 0.63 -1.26 -4.96 116.66 110.75 1x4u n ARG 8 Ca 0.00 0.70 -0.35 0.00 -0.92 0.00 0.00 57.85 57.28 1x4u n ARG 8 Cb 0.00 -2.48 -0.05 0.00 0.45 0.00 0.00 32.46 30.37 1x4u n ARG 8 CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 1x4u s TYR 9 N 2.87 3.58 -0.05 -0.14 1.13 -1.26 -5.06 117.35 118.41 1x4u s TYR 9 Ca 0.89 0.48 -0.30 0.00 -1.41 0.00 0.00 57.07 56.73 1x4u s TYR 9 Cb -0.77 -1.91 -0.05 0.00 -1.10 0.00 0.00 41.96 38.13 1x4u s TYR 9 CO 0.50 0.67 1.49 -1.25 -2.51 0.00 0.00 175.55 174.45 1x4u s PRO 10 N -1.59 4.23 0.01 -3.49 0.04 -1.26 -5.01 135.00 127.93 1x4u s PRO 10 Ca 0.23 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1x4u s PRO 10 Cb -0.13 -3.78 -0.01 0.00 0.04 0.00 0.00 34.50 30.62 1x4u s PRO 10 CO 0.13 -0.72 -0.03 0.95 0.04 0.00 0.00 177.00 177.37 1x4u s THR 11 N 3.31 0.13 -0.03 1.26 -4.23 -1.26 -5.16 115.64 109.66 1x4u s THR 11 Ca 0.66 -0.60 -0.06 0.00 -1.18 0.00 0.00 61.69 60.51 1x4u s THR 11 Cb -0.31 -0.22 0.01 0.00 1.34 0.00 0.00 72.50 73.33 1x4u s THR 11 CO 0.25 -0.30 0.15 0.21 -0.54 0.00 0.00 174.62 174.39 1x4u s ASN 12 N -0.94 -0.08 0.65 3.99 2.47 -1.26 -5.16 114.94 114.59 1x4u s ASN 12 Ca -0.10 0.10 -0.08 0.00 0.42 0.00 0.00 52.86 53.21 1x4u s ASN 12 Cb -0.06 0.27 0.02 0.00 -1.45 0.00 0.00 41.25 40.03 1x4u s ASN 12 CO -0.01 -0.18 0.99 0.20 -3.72 0.00 0.00 177.10 174.39 1x4u s ASN 13 N -0.49 5.43 0.59 -4.21 0.01 -1.26 -5.10 114.94 109.91 1x4u s ASN 13 Ca -0.06 0.83 0.08 0.00 -0.71 0.00 0.00 52.86 53.00 1x4u s ASN 13 Cb -0.04 -1.71 0.09 0.00 0.41 0.00 0.00 41.25 40.00 1x4u s ASN 13 CO 0.01 -1.24 0.82 0.72 -1.51 0.00 0.00 177.10 175.90 1x4u s PHE 14 N -3.16 1.48 0.00 2.20 -0.12 -1.26 -4.64 117.98 112.49 1x4u s PHE 14 Ca 0.56 -0.64 0.00 0.00 -0.05 0.00 0.00 56.93 56.80 1x4u s PHE 14 Cb -0.11 -2.34 0.00 0.00 -0.63 0.00 0.00 43.02 39.94 1x4u s PHE 14 CO 0.47 -1.22 0.00 0.41 -0.05 0.00 0.00 175.22 174.83 1x4u n GLY 15 N -2.33 3.03 3.37 1.99 0.00 -1.26 -5.02 105.19 104.97 1x4u n GLY 15 Ca 0.15 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 1x4u n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x4u s ASN 16 N 0.19 3.05 0.54 1.61 0.02 -1.26 -3.55 114.94 115.53 1x4u s ASN 16 Ca 0.00 -0.81 -0.19 0.00 -1.02 0.00 0.00 52.86 50.85 1x4u s ASN 16 Cb 0.00 -0.20 -0.10 0.00 0.02 0.00 0.00 41.25 40.97 1x4u s ASN 16 CO 0.00 0.08 0.49 0.00 0.02 0.00 0.00 177.10 177.69 1x4u n THR 18 N -1.55 2.26 0.08 0.00 -1.04 -1.11 -3.02 114.28 109.90 1x4u n THR 18 Ca 0.11 -1.16 0.00 0.00 -2.04 0.00 0.00 64.05 60.96 1x4u n THR 18 Cb 0.46 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 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 0.25 -0.15 0.55 3.41 0.00 -1.26 -4.88 105.19 103.11 1x4u n GLY 19 Ca 0.26 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.37 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 0.40 -5.91 -4.31 0.00 7.64 -1.17 -4.96 113.62 105.33 1x4u n SER 21 Ca 0.09 -0.59 -0.42 0.00 1.01 0.00 0.00 58.87 58.95 1x4u n SER 21 Cb 0.41 -4.80 -0.08 0.00 -1.01 0.00 0.00 64.21 58.73 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 -3.32 3.44 0.48 -0.43 0.00 -1.26 -4.72 121.76 115.96 1x4u s ALA 22 Ca 0.58 -2.24 -0.19 0.00 0.00 0.00 0.00 51.96 50.11 1x4u s ALA 22 Cb -0.27 -2.90 -0.14 0.00 0.00 0.00 0.00 23.12 19.81 1x4u s ALA 22 CO 0.75 -1.76 0.03 2.41 0.00 0.00 0.00 175.76 177.19 1x4u n THR 23 N 5.06 0.47 -2.90 0.00 -1.04 -1.26 -3.35 114.28 111.27 1x4u n THR 23 Ca -0.11 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 60.97 1x4u n THR 23 Cb 0.42 -0.10 -0.03 0.00 -1.82 0.00 0.00 70.33 68.80 1x4u n THR 23 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1x4u s PHE 24 N -1.88 2.86 0.52 -1.42 0.08 -1.23 -4.87 117.98 112.05 1x4u s PHE 24 Ca 0.59 -0.91 -0.09 0.00 0.12 0.00 0.00 56.93 56.65 1x4u s PHE 24 Cb -0.53 -4.28 0.12 0.00 -0.57 0.00 0.00 43.02 37.77 1x4u s PHE 24 CO 0.64 -1.57 0.64 0.45 -0.10 0.00 0.00 175.22 175.28 1x4u n SER 25 N 7.20 -0.31 0.30 1.36 2.88 -1.26 -4.79 113.62 119.00 1x4u n SER 25 Ca 0.07 -1.15 0.18 0.00 -1.33 0.00 0.00 58.87 56.64 1x4u n SER 25 Cb 0.47 -0.51 1.00 0.00 -0.75 0.00 0.00 64.21 64.42 1x4u n SER 25 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1x4u h VAL 26 N -1.55 0.34 -0.60 2.46 3.04 -2.05 0.37 116.25 118.26 1x4u h VAL 26 Ca -0.21 0.00 -0.17 0.00 -1.01 0.00 0.00 66.70 65.30 1x4u h VAL 26 Cb 0.60 0.97 -0.10 0.00 -2.01 0.00 0.00 31.29 30.75 1x4u h VAL 26 CO 0.15 0.00 0.18 0.00 -1.01 0.00 0.00 177.57 176.89 1x4u n LEU 27 N -3.58 5.42 -3.61 3.16 -0.00 -1.26 -4.84 117.00 112.29 1x4u n LEU 27 Ca -0.02 -3.27 -0.27 0.00 -0.00 0.00 0.00 56.01 52.45 1x4u n LEU 27 Cb 0.12 -0.69 -0.17 0.00 -0.00 0.00 0.00 43.42 42.68 1x4u n LEU 27 CO 0.25 0.85 -0.33 -0.54 -0.00 0.00 0.00 177.39 177.61 1x4u s LYS 28 N -3.01 0.16 -0.31 1.47 1.02 0.12 -5.03 119.74 114.16 1x4u s LYS 28 Ca 0.51 -0.22 -0.23 0.00 0.02 0.00 0.00 55.97 56.06 1x4u s LYS 28 Cb 0.42 -1.73 -0.00 0.00 -0.52 0.00 0.00 37.83 36.00 1x4u s LYS 28 CO 0.11 -0.74 0.75 0.15 -0.92 0.00 0.00 175.35 174.70 1x4u s LYS 29 N 2.09 3.93 -0.66 1.68 1.02 -1.26 -4.15 119.74 122.40 1x4u s LYS 29 Ca 0.03 0.50 -0.26 0.00 0.02 0.00 0.00 55.97 56.26 1x4u s LYS 29 Cb -0.16 -3.73 -0.12 0.00 -0.52 0.00 0.00 37.83 33.29 1x4u s LYS 29 CO -0.15 -0.66 2.45 -2.13 -0.92 0.00 0.00 175.35 173.94 1x4u n ARG 30 N 6.14 0.72 -2.90 1.68 0.63 -1.26 -4.48 116.66 117.19 1x4u n ARG 30 Ca 0.03 -0.16 -0.32 0.00 -0.92 0.00 0.00 57.85 56.48 1x4u n ARG 30 Cb 0.48 -3.05 -0.05 0.00 0.45 0.00 0.00 32.46 30.30 1x4u n ARG 30 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1x4u s ARG 31 N 8.47 3.92 -0.19 -0.14 0.52 0.31 -4.86 118.95 126.98 1x4u s ARG 31 Ca 1.05 0.65 -0.02 0.00 -0.52 0.00 0.00 55.73 56.89 1x4u s ARG 31 Cb -0.38 -2.36 -0.01 0.00 0.52 0.00 0.00 34.95 32.72 1x4u s ARG 31 CO 0.28 0.01 -0.08 -1.12 0.02 0.00 0.00 175.30 174.41 1x4u s SER 32 N -2.74 4.13 1.05 0.23 0.01 -1.26 -0.20 113.70 114.92 1x4u s SER 32 Ca 0.54 -0.38 -0.16 0.00 1.31 0.00 0.00 55.95 57.26 1x4u s SER 32 Cb -0.10 -1.68 0.08 0.00 0.21 0.00 0.00 66.02 64.53 1x4u s SER 32 CO 0.25 0.05 0.25 0.00 0.41 0.00 0.00 173.24 174.19 1x4u n SER 34 N -1.72 0.76 0.00 0.00 7.64 -0.73 -3.77 113.62 115.80 1x4u n SER 34 Ca 0.04 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1x4u n SER 34 Cb 0.58 0.51 0.00 0.00 -1.01 0.00 0.00 64.21 64.29 1x4u n SER 34 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x4u n ASN 35 N -2.91 0.00 0.09 6.43 5.15 -1.26 -4.49 115.26 118.27 1x4u n ASN 35 Ca -0.37 0.19 -0.00 0.00 -0.60 0.00 0.00 54.58 53.80 1x4u n ASN 35 Cb 1.09 -0.25 0.29 0.00 -0.53 0.00 0.00 39.78 40.37 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 -0.48 0.48 3.94 0.00 0.00 -1.25 -5.00 105.19 102.88 1x4u n GLY 37 Ca -0.01 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 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 4.97 0.28 1.61 0.01 -1.26 -4.65 114.94 112.90 1x4u s ASN 38 Ca 0.11 -0.92 -0.25 0.00 -0.71 0.00 0.00 52.86 51.09 1x4u s ASN 38 Cb -0.05 -0.01 -0.09 0.00 0.41 0.00 0.00 41.25 41.51 1x4u s ASN 38 CO 0.13 -1.00 0.89 -0.94 -1.51 0.00 0.00 177.10 174.68 1x4u s SER 39 N -4.34 7.33 0.20 -1.22 1.04 -1.26 -0.19 113.70 115.27 1x4u s SER 39 Ca 0.47 1.76 -0.22 0.00 0.48 0.00 0.00 55.95 58.45 1x4u s SER 39 Cb -0.04 -2.55 0.05 0.00 0.10 0.00 0.00 66.02 63.58 1x4u s SER 39 CO 0.29 0.00 0.63 -0.36 0.98 0.00 0.00 173.24 174.78 1x4u s PHE 40 N -1.51 -0.39 0.53 5.02 0.08 0.72 -2.76 117.98 119.67 1x4u s PHE 40 Ca 0.47 0.09 -0.09 0.00 0.12 0.00 0.00 56.93 57.51 1x4u s PHE 40 Cb -0.20 0.60 0.12 0.00 -0.57 0.00 0.00 43.02 42.97 1x4u s PHE 40 CO 0.24 -0.99 0.72 0.00 -0.10 0.00 0.00 175.22 175.10 1x4u n SER 42 N -3.47 0.64 -0.01 0.00 7.64 -1.26 -2.31 113.62 114.85 1x4u n SER 42 Ca 0.09 -1.28 0.05 0.00 1.01 0.00 0.00 58.87 58.74 1x4u n SER 42 Cb 0.31 -0.01 -0.09 0.00 -1.01 0.00 0.00 64.21 63.42 1x4u n SER 42 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1x4u n ARG 43 N -0.47 0.48 -0.07 1.43 3.00 -1.26 -4.54 116.66 115.22 1x4u n ARG 43 Ca 0.20 -0.09 -0.17 0.00 -0.01 0.00 0.00 57.85 57.78 1x4u n ARG 43 Cb 0.20 -1.26 -0.13 0.00 0.00 0.00 0.00 32.46 31.27 1x4u n ARG 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x4u n SER 46 N 0.22 2.22 -4.31 0.00 7.64 -1.22 -4.60 113.62 113.57 1x4u n SER 46 Ca 0.45 -3.20 -0.40 0.00 1.01 0.00 0.00 58.87 56.73 1x4u n SER 46 Cb 0.55 -0.43 -0.11 0.00 -1.01 0.00 0.00 64.21 63.21 1x4u n SER 46 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1x4u s PHE 47 N -2.62 3.28 -0.19 1.43 0.08 -1.20 -4.95 117.98 113.81 1x4u s PHE 47 Ca 0.39 -1.29 -0.29 0.00 0.12 0.00 0.00 56.93 55.85 1x4u s PHE 47 Cb 0.38 -2.62 -0.01 0.00 -0.57 0.00 0.00 43.02 40.20 1x4u s PHE 47 CO -0.07 -0.75 1.30 0.15 -0.10 0.00 0.00 175.22 175.76 1x4u s LYS 48 N 1.47 4.15 0.02 0.44 1.02 -1.25 -1.41 119.74 124.18 1x4u s LYS 48 Ca 0.02 1.61 0.01 0.00 0.02 0.00 0.00 55.97 57.62 1x4u s LYS 48 Cb -0.21 -3.81 -0.01 0.00 -0.52 0.00 0.00 37.83 33.28 1x4u s LYS 48 CO 0.04 -0.81 -0.04 0.14 -0.92 0.00 0.00 175.35 173.76 1x4u s VAL 49 N 3.75 0.26 0.06 3.17 -7.23 0.83 -4.91 120.40 116.33 1x4u s VAL 49 Ca 0.56 -0.67 -0.31 0.00 -1.81 0.00 0.00 61.98 59.76 1x4u s VAL 49 Cb -0.21 -0.33 -0.07 0.00 0.56 0.00 0.00 36.38 36.33 1x4u s VAL 49 CO 0.17 -0.27 1.40 -2.16 -0.31 0.00 0.00 175.10 173.94 1x4u s PRO 50 N -0.99 4.30 0.15 4.82 0.04 -1.26 -0.58 135.00 141.48 1x4u s PRO 50 Ca -0.08 2.03 0.11 0.00 0.04 0.00 0.00 61.00 63.10 1x4u s PRO 50 Cb -0.07 -3.42 -0.12 0.00 0.04 0.00 0.00 34.50 30.93 1x4u s PRO 50 CO -0.00 -0.51 1.23 1.57 0.04 0.00 0.00 177.00 179.33 1x4u h LYS 51 N 7.37 0.00 -0.46 4.56 2.10 -1.87 -3.32 116.57 124.95 1x4u h LYS 51 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1x4u h LYS 51 Cb 1.20 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.50 1x4u h LYS 51 CO 0.88 0.73 0.29 1.03 -2.00 0.00 0.00 179.45 180.39 1x4u h SER 52 N 0.00 0.54 -0.80 7.07 0.87 -1.78 -2.58 113.55 116.87 1x4u h SER 52 Ca -0.05 -0.03 -0.46 0.00 -1.23 0.00 0.00 61.79 60.02 1x4u h SER 52 Cb 1.66 -0.14 -0.19 0.00 -0.44 0.00 0.00 62.40 63.29 1x4u h SER 52 CO 0.10 0.41 0.55 -1.54 -0.53 0.00 0.00 176.83 175.81 1x4u n SER 53 N -4.75 6.80 -0.05 6.23 3.41 -1.25 -4.00 113.62 120.01 1x4u n SER 53 Ca 0.02 -3.29 -0.10 0.00 -0.26 0.00 0.00 58.87 55.24 1x4u n SER 53 Cb 0.04 -1.08 -0.03 0.00 -0.26 0.00 0.00 64.21 62.87 1x4u n SER 53 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1x4u n MET 54 N 0.15 0.35 0.00 4.33 0.00 -0.97 -4.99 117.12 115.99 1x4u n MET 54 Ca 0.42 0.15 0.00 0.00 0.00 0.00 0.00 57.70 58.27 1x4u n MET 54 Cb 0.57 -1.11 0.00 0.00 0.00 0.00 0.00 33.22 32.68 1x4u n MET 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1x4u n GLY 55 N 2.09 -1.69 3.32 -5.12 0.00 -1.26 -5.04 105.19 97.49 1x4u n GLY 55 Ca -0.17 0.48 -0.45 0.00 0.00 0.00 0.00 46.02 45.88 1x4u n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4u s ALA 56 N -1.09 4.49 0.24 4.61 0.00 -1.26 -5.04 121.76 123.71 1x4u s ALA 56 Ca 0.00 -3.66 -0.31 0.00 0.00 0.00 0.00 51.96 47.98 1x4u s ALA 56 Cb 0.00 -3.51 -0.12 0.00 0.00 0.00 0.00 23.12 19.49 1x4u s ALA 56 CO 0.00 -2.23 1.63 -2.37 0.00 0.00 0.00 175.76 172.80 1x4u n THR 57 N 3.13 0.49 -3.61 0.00 5.66 -1.26 -5.00 114.28 113.69 1x4u n THR 57 Ca 0.20 -0.12 -0.20 0.00 -3.05 0.00 0.00 64.05 60.88 1x4u n THR 57 Cb 0.42 -1.89 -0.01 0.00 -1.55 0.00 0.00 70.33 67.30 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 0.57 4.11 -0.16 1.79 0.00 -1.25 -5.01 121.76 121.81 1x4u s ALA 58 Ca 0.70 -1.48 0.29 0.00 0.00 0.00 0.00 51.96 51.48 1x4u s ALA 58 Cb -0.53 -1.56 1.21 0.00 0.00 0.00 0.00 23.12 22.23 1x4u s ALA 58 CO 0.41 0.01 1.86 -1.00 0.00 0.00 0.00 175.76 177.04 1x4u h PRO 59 N 1.01 0.00 0.00 0.00 0.13 -2.04 -3.04 132.00 128.07 1x4u h PRO 59 Ca -0.46 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 1x4u h PRO 59 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1x4u h PRO 59 CO 0.55 0.00 -1.67 -0.85 -0.23 0.00 0.00 178.00 175.80 1x4u n GLU 60 N -2.68 0.97 -3.27 0.86 0.00 -1.26 -4.79 120.64 110.46 1x4u n GLU 60 Ca 0.01 -0.08 -0.45 0.00 0.00 0.00 0.00 57.16 56.64 1x4u n GLU 60 Cb 0.26 -1.31 -0.01 0.00 0.00 0.00 0.00 31.44 30.39 1x4u n GLU 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x4u s ALA 61 N -2.69 4.47 -0.06 -1.84 0.00 -1.15 -4.69 121.76 115.81 1x4u s ALA 61 Ca -0.05 -3.64 -0.02 0.00 0.00 0.00 0.00 51.96 48.24 1x4u s ALA 61 Cb 0.07 -3.65 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 1x4u s ALA 61 CO 0.52 -2.32 -0.08 1.04 0.00 0.00 0.00 175.76 174.93 1x4u n GLN 62 N 3.47 0.14 -2.06 0.00 6.02 -1.26 -3.78 117.38 119.91 1x4u n GLN 62 Ca 0.24 0.05 -0.27 0.00 -0.01 0.00 0.00 57.00 57.01 1x4u n GLN 62 Cb 0.42 -0.79 0.02 0.00 1.02 0.00 0.00 30.24 30.90 1x4u n GLN 62 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1x4u n ARG 63 N -3.17 3.44 -4.00 -1.09 0.63 -1.26 -4.59 116.66 106.62 1x4u n ARG 63 Ca -0.12 -4.14 -0.34 0.00 -0.92 0.00 0.00 57.85 52.33 1x4u n ARG 63 Cb 0.59 -2.27 -0.06 0.00 0.45 0.00 0.00 32.46 31.17 1x4u n ARG 63 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1x4u s GLU 64 N -3.63 3.28 -0.05 -0.14 2.56 -1.26 -5.08 118.70 114.37 1x4u s GLU 64 Ca 0.52 -0.35 0.06 0.00 0.00 0.00 0.00 54.97 55.20 1x4u s GLU 64 Cb 0.42 -3.01 -0.02 0.00 2.00 0.00 0.00 34.13 33.52 1x4u s GLU 64 CO -0.04 0.69 -0.22 0.95 -0.56 0.00 0.00 175.26 176.07 1x4u s THR 65 N -1.20 2.31 0.33 -1.70 -4.23 -1.26 -2.65 115.64 107.25 1x4u s THR 65 Ca 0.23 -0.99 0.05 0.00 -1.18 0.00 0.00 61.69 59.80 1x4u s THR 65 Cb -0.12 -1.85 -0.07 0.00 1.34 0.00 0.00 72.50 71.80 1x4u s THR 65 CO 0.13 0.57 0.04 0.68 -0.54 0.00 0.00 174.62 175.50 1x4u s VAL 66 N -0.35 1.38 -0.19 2.29 -7.23 0.25 -4.89 120.40 111.66 1x4u s VAL 66 Ca 0.02 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.13 1x4u s VAL 66 Cb -0.12 -2.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 1x4u s VAL 66 CO 0.02 -0.04 0.00 -0.36 -0.31 0.00 0.00 175.10 174.41 1x4u s PHE 67 N -3.17 3.06 0.51 2.82 0.40 -1.26 -0.12 117.98 120.23 1x4u s PHE 67 Ca 0.35 -0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.35 1x4u s PHE 67 Cb 0.08 -2.06 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 1x4u s PHE 67 CO 0.16 -0.14 0.02 0.14 0.70 0.00 0.00 175.22 176.10 1x4u s VAL 68 N 0.77 0.97 -0.04 -0.44 -7.23 -0.50 -1.78 120.40 112.15 1x4u s VAL 68 Ca 0.00 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.09 1x4u s VAL 68 Cb -0.14 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 1x4u s VAL 68 CO 0.02 0.00 0.25 0.00 -0.31 0.00 0.00 175.10 175.06 1x4u n ALA 70 N 1.52 0.30 -0.19 0.00 0.00 -1.00 0.17 120.51 121.30 1x4u n ALA 70 Ca -0.15 0.75 -0.00 0.00 0.00 0.00 0.00 53.44 54.04 1x4u n ALA 70 Cb 0.53 -0.52 0.08 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.32 0.21 0.00 0.87 -1.93 -1.11 113.55 111.26 1x4u h SER 71 Ca 0.40 0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 61.10 1x4u h SER 71 Cb 0.76 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1x4u h SER 71 CO -0.68 -0.13 -0.10 0.00 -0.53 0.00 0.00 176.83 175.40 1x4u n ASN 73 N -4.96 0.25 -0.10 0.00 5.15 -0.03 0.24 115.26 115.80 1x4u n ASN 73 Ca -0.04 1.27 -0.12 0.00 -0.60 0.00 0.00 54.58 55.09 1x4u n ASN 73 Cb 0.13 -0.62 -0.04 0.00 -0.53 0.00 0.00 39.78 38.72 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 0.57 -0.16 1.20 4.20 -1.27 -2.08 115.11 117.57 1x4u h GLN 74 Ca 0.69 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 59.12 1x4u h GLN 74 Cb 1.97 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.73 1x4u h GLN 74 CO -0.54 0.80 -0.07 1.15 -0.67 0.00 0.00 178.83 179.50 1x4u h THR 75 N 0.32 1.31 0.32 -0.54 2.02 0.30 -0.76 112.91 115.88 1x4u h THR 75 Ca 0.07 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.15 1x4u h THR 75 Cb 0.61 1.71 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 1x4u h THR 75 CO 0.04 0.32 -0.37 -0.07 0.37 0.00 0.00 175.52 175.81 1x4u h LEU 76 N 0.00 -1.02 -0.11 2.58 3.38 -0.78 -2.94 115.31 116.42 1x4u h LEU 76 Ca 0.04 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1x4u h LEU 76 Cb 0.54 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1x4u h LEU 76 CO 0.02 -0.50 0.06 -1.28 0.09 0.00 0.00 178.44 176.83 1x4u h SER 77 N -0.73 0.10 -2.15 -0.43 0.87 -1.44 -3.35 113.55 106.42 1x4u h SER 77 Ca -0.02 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.92 1x4u h SER 77 Cb 0.67 -0.02 -0.13 0.00 -0.44 0.00 0.00 62.40 62.49 1x4u h SER 77 CO -0.10 0.08 0.95 -0.75 -0.53 0.00 0.00 176.83 176.48 1x4u s LYS 78 N -6.18 3.38 -0.44 2.24 2.20 -0.29 -4.96 119.74 115.69 1x4u s LYS 78 Ca -0.13 -1.04 0.00 0.00 -0.36 0.00 0.00 55.97 54.44 1x4u s LYS 78 Cb 0.08 -4.69 0.12 0.00 -1.51 0.00 0.00 37.83 31.83 1x4u s LYS 78 CO 0.68 -1.96 0.20 -1.54 -0.36 0.00 0.00 175.35 172.36 1x4u s SER 79 N 4.00 4.96 0.00 1.43 1.04 -1.25 -4.64 113.70 119.24 1x4u s SER 79 Ca 0.33 -2.34 0.00 0.00 0.48 0.00 0.00 55.95 54.42 1x4u s SER 79 Cb -0.08 -1.74 0.00 0.00 0.10 0.00 0.00 66.02 64.30 1x4u s SER 79 CO 0.01 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1x4u n GLY 80 N 4.10 0.51 3.56 7.32 0.00 -1.26 -4.83 105.19 114.59 1x4u n GLY 80 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1x4u n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4u s PRO 81 N 0.34 2.56 -0.60 1.61 0.04 -1.26 -4.80 135.00 132.89 1x4u s PRO 81 Ca 0.00 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 60.83 1x4u s PRO 81 Cb 0.00 -5.01 0.43 0.00 0.04 0.00 0.00 34.50 29.96 1x4u s PRO 81 CO 0.00 -3.33 1.78 0.45 0.04 0.00 0.00 177.00 175.95 1x4u n SER 82 N 13.88 6.86 -3.69 6.66 2.88 -1.26 -4.92 113.62 134.03 1x4u n SER 82 Ca 0.39 -3.79 -0.10 0.00 -1.33 0.00 0.00 58.87 54.04 1x4u n SER 82 Cb 0.47 -0.82 -0.10 0.00 -0.75 0.00 0.00 64.21 63.01 1x4u n SER 82 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4u s SER 83 N -2.21 -0.56 0.00 -3.46 0.15 -1.26 -5.28 113.70 101.08 1x4u s SER 83 Ca 0.58 0.97 0.00 0.00 0.70 0.00 0.00 55.95 58.20 1x4u s SER 83 Cb 0.47 0.85 0.00 0.00 -1.71 0.00 0.00 66.02 65.63 1x4u s SER 83 CO -0.09 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.77