#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nu1 n LEU 2 N 0.00 0.00 0.00 -0.89 4.77 -1.26 -4.81 117.00 114.81 1nu1 n LEU 2 Ca 0.00 -0.93 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 1nu1 n LEU 2 Cb 0.00 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 1nu1 n LEU 2 CO 0.00 -1.46 0.00 -0.24 -1.33 0.00 0.00 177.39 174.36 1nu1 n SER 3 N -3.92 0.00 0.00 -1.43 2.88 -1.26 -4.83 113.62 105.06 1nu1 n SER 3 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 1nu1 n SER 3 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1nu1 n SER 3 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1nu1 n VAL 4 N 0.00 0.00 0.10 2.46 0.31 -1.26 -0.32 118.33 119.61 1nu1 n VAL 4 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1nu1 n VAL 4 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 1nu1 n VAL 4 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nu1 h ALA 5 N 0.00 -0.52 0.00 3.52 0.00 -1.92 -3.20 119.26 117.14 1nu1 h ALA 5 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1nu1 h ALA 5 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1nu1 h ALA 5 CO 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 179.25 178.75 1nu1 n ALA 6 N -2.35 1.88 1.71 0.00 0.00 0.23 0.19 120.51 122.18 1nu1 n ALA 6 Ca -0.04 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.48 1nu1 n ALA 6 Cb 0.11 -1.03 0.42 0.00 0.00 0.00 0.00 19.45 18.95 1nu1 n ALA 6 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1nu1 n ARG 7 N -0.58 1.26 -1.91 0.00 0.63 0.56 -4.96 116.66 111.65 1nu1 n ARG 7 Ca 0.01 -0.39 -0.02 0.00 -0.92 0.00 0.00 57.85 56.54 1nu1 n ARG 7 Cb 0.01 -1.29 -0.02 0.00 0.45 0.00 0.00 32.46 31.61 1nu1 n ARG 7 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1nu1 n SER 8 N -0.36 -2.88 0.00 6.15 2.88 0.51 -4.95 113.62 114.97 1nu1 n SER 8 Ca 0.13 0.78 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 1nu1 n SER 8 Cb 0.15 -3.14 0.00 0.00 -0.75 0.00 0.00 64.21 60.46 1nu1 n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nu1 n GLY 9 N 0.88 3.79 3.82 0.46 0.00 -1.24 -4.55 105.19 108.36 1nu1 n GLY 9 Ca -0.14 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 1nu1 n GLY 9 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1nu1 s PRO 10 N 0.00 1.99 0.24 1.61 0.02 -1.26 -2.25 135.00 135.34 1nu1 s PRO 10 Ca 0.00 0.49 -0.20 0.00 0.02 0.00 0.00 61.00 61.31 1nu1 s PRO 10 Cb 0.00 -1.92 -0.08 0.00 0.02 0.00 0.00 34.50 32.52 1nu1 s PRO 10 CO 0.00 -1.66 0.75 -0.06 -0.33 0.00 0.00 177.00 175.70 1nu1 s PHE 11 N -3.25 3.64 -0.39 6.54 0.40 -1.26 -4.15 117.98 119.51 1nu1 s PHE 11 Ca 0.61 1.42 0.01 0.00 -0.60 0.00 0.00 56.93 58.37 1nu1 s PHE 11 Cb -0.14 -2.64 0.15 0.00 0.51 0.00 0.00 43.02 40.90 1nu1 s PHE 11 CO 0.53 0.31 0.25 0.00 0.70 0.00 0.00 175.22 177.02 1nu1 s ALA 12 N -1.56 1.32 0.34 5.36 0.00 -1.26 -4.95 121.76 121.01 1nu1 s ALA 12 Ca 0.44 -2.18 -0.29 0.00 0.00 0.00 0.00 51.96 49.94 1nu1 s ALA 12 Cb -0.16 -1.66 -0.11 0.00 0.00 0.00 0.00 23.12 21.18 1nu1 s ALA 12 CO 0.21 -2.07 1.46 -2.14 0.00 0.00 0.00 175.76 173.23 1nu1 s PRO 13 N 0.64 4.18 -0.09 0.00 0.02 -1.26 -3.37 135.00 135.12 1nu1 s PRO 13 Ca 0.22 2.47 -0.01 0.00 0.02 0.00 0.00 61.00 63.69 1nu1 s PRO 13 Cb -0.16 -3.02 0.03 0.00 0.02 0.00 0.00 34.50 31.37 1nu1 s PRO 13 CO -0.05 -0.47 -0.01 0.08 -0.33 0.00 0.00 177.00 176.23 1nu1 s VAL 14 N -0.79 0.49 0.09 3.83 1.01 -0.64 -4.96 120.40 119.43 1nu1 s VAL 14 Ca 0.55 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.55 1nu1 s VAL 14 Cb -0.45 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1nu1 s VAL 14 CO 0.56 0.24 0.21 -0.76 0.00 0.00 0.00 175.10 175.35 1nu1 s LEU 15 N 1.92 4.25 0.25 3.92 2.01 -1.26 0.65 118.68 130.42 1nu1 s LEU 15 Ca 0.05 0.18 0.01 0.00 0.01 0.00 0.00 54.13 54.38 1nu1 s LEU 15 Cb -0.13 -2.85 -0.04 0.00 0.01 0.00 0.00 46.19 43.18 1nu1 s LEU 15 CO -0.06 0.13 0.13 -0.55 1.01 0.00 0.00 176.35 177.01 1nu1 s SER 16 N -2.73 0.95 -0.18 2.29 0.15 -1.26 -4.97 113.70 107.95 1nu1 s SER 16 Ca 0.34 -1.44 -0.15 0.00 0.70 0.00 0.00 55.95 55.41 1nu1 s SER 16 Cb -0.12 0.29 -0.07 0.00 -1.71 0.00 0.00 66.02 64.41 1nu1 s SER 16 CO 0.27 -0.81 -0.24 0.00 1.20 0.00 0.00 173.24 173.66 1nu1 n ALA 17 N -0.43 0.75 -0.07 5.45 0.00 -1.26 -4.80 120.51 120.14 1nu1 n ALA 17 Ca 0.01 -0.68 -0.08 0.00 0.00 0.00 0.00 53.44 52.69 1nu1 n ALA 17 Cb 0.66 -0.02 -0.04 0.00 0.00 0.00 0.00 19.45 20.05 1nu1 n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nu1 h THR 18 N -1.00 0.36 -3.87 0.00 1.03 -1.99 -3.48 112.91 103.96 1nu1 h THR 18 Ca -0.11 -1.38 -0.44 0.00 -0.01 0.00 0.00 66.41 64.47 1nu1 h THR 18 Cb 0.92 0.79 0.16 0.00 -1.07 0.00 0.00 68.15 68.96 1nu1 h THR 18 CO -0.07 0.12 0.25 -0.44 -0.01 0.00 0.00 175.52 175.37 1nu1 s SER 19 N -5.99 2.31 0.33 0.00 0.01 -1.26 -5.02 113.70 104.08 1nu1 s SER 19 Ca -0.15 0.72 -0.10 0.00 1.31 0.00 0.00 55.95 57.73 1nu1 s SER 19 Cb 0.02 -1.07 -0.07 0.00 0.21 0.00 0.00 66.02 65.11 1nu1 s SER 19 CO 0.30 -3.27 0.67 -0.13 0.41 0.00 0.00 173.24 171.21 1nu1 s ARG 20 N -5.41 3.78 0.31 12.44 0.52 -1.26 -4.28 118.95 125.05 1nu1 s ARG 20 Ca 0.69 0.35 -0.29 0.00 -0.52 0.00 0.00 55.73 55.96 1nu1 s ARG 20 Cb -0.11 -2.51 -0.11 0.00 0.52 0.00 0.00 34.95 32.74 1nu1 s ARG 20 CO 0.55 0.13 1.45 0.20 0.02 0.00 0.00 175.30 177.64 1nu1 s GLY 21 N -2.86 2.62 0.38 -3.53 0.00 -1.26 -4.63 107.32 98.04 1nu1 s GLY 21 Ca 0.49 1.42 0.08 0.00 0.00 0.00 0.00 44.72 46.71 1nu1 s GLY 21 CO 0.27 2.23 -0.02 0.14 0.00 0.00 0.00 173.10 175.72 1nu1 s VAL 22 N -0.58 2.16 -0.20 1.40 1.01 0.21 -4.96 120.40 119.44 1nu1 s VAL 22 Ca 0.56 -2.05 -0.09 0.00 0.00 0.00 0.00 61.98 60.40 1nu1 s VAL 22 Cb -0.44 -2.86 0.08 0.00 0.00 0.00 0.00 36.38 33.17 1nu1 s VAL 22 CO 0.52 -0.09 0.46 0.00 0.00 0.00 0.00 175.10 175.99 1nu1 s ALA 23 N -2.65 -1.25 -0.40 5.51 0.00 -1.26 -1.63 121.76 120.08 1nu1 s ALA 23 Ca 0.34 1.67 -0.02 0.00 0.00 0.00 0.00 51.96 53.95 1nu1 s ALA 23 Cb 0.06 -1.22 0.22 0.00 0.00 0.00 0.00 23.12 22.18 1nu1 s ALA 23 CO 0.18 -0.55 1.01 0.41 0.00 0.00 0.00 175.76 176.81 1nu1 n GLY 24 N 4.87 -1.30 0.00 0.00 0.00 -1.22 -4.99 105.19 102.56 1nu1 n GLY 24 Ca -0.15 0.96 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1nu1 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nu1 n ALA 25 N 2.44 0.00 -3.31 4.61 0.00 -1.26 -4.68 120.51 118.32 1nu1 n ALA 25 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.25 1nu1 n ALA 25 Cb 0.63 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.92 1nu1 n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nu1 s LEU 26 N 0.00 2.02 0.00 0.00 1.02 -0.96 -4.57 118.68 116.20 1nu1 s LEU 26 Ca 0.00 -0.52 0.00 0.00 0.02 0.00 0.00 54.13 53.63 1nu1 s LEU 26 Cb 0.00 -1.32 0.00 0.00 0.02 0.00 0.00 46.19 44.89 1nu1 s LEU 26 CO 0.00 0.13 0.00 -2.11 0.02 0.00 0.00 176.35 174.39 1nu1 n ARG 27 N 3.63 0.00 -1.10 1.70 -4.01 -1.26 -4.25 116.66 111.36 1nu1 n ARG 27 Ca -0.20 0.00 -0.30 0.00 -1.04 0.00 0.00 57.85 56.31 1nu1 n ARG 27 Cb 0.53 0.00 0.24 0.00 -3.04 0.00 0.00 32.46 30.18 1nu1 n ARG 27 CO 0.00 0.00 0.00 -2.14 -3.04 0.00 0.00 177.63 172.45 1nu1 s PRO 28 N -2.00 -1.18 0.00 2.89 0.02 -1.26 -4.69 135.00 128.78 1nu1 s PRO 28 Ca 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 61.00 60.94 1nu1 s PRO 28 Cb 0.00 -1.60 0.00 0.00 0.02 0.00 0.00 34.50 32.92 1nu1 s PRO 28 CO 0.00 -3.68 0.00 -0.11 -0.33 0.00 0.00 177.00 172.88 1nu1 n LEU 29 N -4.74 0.00 0.45 -5.54 7.94 -1.26 -5.02 117.00 108.83 1nu1 n LEU 29 Ca 0.13 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.84 1nu1 n LEU 29 Cb 0.59 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.45 1nu1 n LEU 29 CO 0.45 0.00 0.53 0.58 -1.11 0.00 0.00 177.39 177.84 1nu1 h VAL 30 N 0.00 0.00 -0.29 1.96 2.07 -2.04 -2.24 116.25 115.72 1nu1 h VAL 30 Ca 0.00 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.26 1nu1 h VAL 30 Cb 0.00 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.67 1nu1 h VAL 30 CO 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.44 1nu1 n GLN 31 N -5.35 2.05 0.00 1.57 6.02 -1.26 -3.52 117.38 116.89 1nu1 n GLN 31 Ca -0.15 -1.31 0.00 0.00 -0.01 0.00 0.00 57.00 55.54 1nu1 n GLN 31 Cb 0.48 -1.98 0.00 0.00 1.02 0.00 0.00 30.24 29.77 1nu1 n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nu1 n ALA 32 N 1.98 1.07 1.38 -1.58 0.00 -0.84 -4.43 120.51 118.08 1nu1 n ALA 32 Ca 0.42 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.96 1nu1 n ALA 32 Cb 0.80 0.04 0.41 0.00 0.00 0.00 0.00 19.45 20.70 1nu1 n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nu1 n ALA 33 N -0.82 2.54 -0.29 0.00 0.00 -1.23 -3.96 120.51 116.75 1nu1 n ALA 33 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1nu1 n ALA 33 Cb 0.08 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1nu1 n ALA 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1nu1 n VAL 34 N 0.11 0.00 -1.97 0.00 0.31 -1.26 -4.39 118.33 111.13 1nu1 n VAL 34 Ca 0.16 0.35 -0.25 0.00 -0.01 0.00 0.00 64.34 64.60 1nu1 n VAL 34 Cb 0.28 -1.19 -0.05 0.00 -0.91 0.00 0.00 33.84 31.96 1nu1 n VAL 34 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1nu1 s PRO 35 N -0.71 2.40 0.97 5.55 0.02 -1.25 -4.87 135.00 137.11 1nu1 s PRO 35 Ca 0.00 -0.15 -0.16 0.00 0.02 0.00 0.00 61.00 60.71 1nu1 s PRO 35 Cb 0.00 -5.01 0.24 0.00 0.02 0.00 0.00 34.50 29.76 1nu1 s PRO 35 CO 0.00 -3.54 0.78 0.00 -0.33 0.00 0.00 177.00 173.91 1nu1 n ALA 36 N 14.72 -2.90 -1.70 -1.55 0.00 -1.26 -4.75 120.51 123.07 1nu1 n ALA 36 Ca 0.41 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.64 1nu1 n ALA 36 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1nu1 n ALA 36 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1nu1 n THR 37 N -4.48 0.00 -3.44 0.00 -1.04 -1.26 -5.04 114.28 99.02 1nu1 n THR 37 Ca 0.11 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.69 1nu1 n THR 37 Cb 0.45 -0.95 -0.07 0.00 -1.82 0.00 0.00 70.33 67.93 1nu1 n THR 37 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1nu1 s SER 38 N -2.70 5.95 0.00 8.00 0.01 -1.26 -5.06 113.70 118.64 1nu1 s SER 38 Ca 0.00 -1.69 0.00 0.00 1.31 0.00 0.00 55.95 55.57 1nu1 s SER 38 Cb 0.00 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.12 1nu1 s SER 38 CO 0.00 -0.72 0.00 -0.62 0.41 0.00 0.00 173.24 172.31 1nu1 n GLU 39 N 5.09 0.00 0.00 12.44 1.02 -1.26 -5.01 120.64 132.92 1nu1 n GLU 39 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1nu1 n GLU 39 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 1nu1 n GLU 39 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1nu1 n SER 40 N 0.00 0.00 -4.05 1.62 3.41 -1.26 -5.11 113.62 108.23 1nu1 n SER 40 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 1nu1 n SER 40 Cb 0.00 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.16 1nu1 n SER 40 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1nu1 s PRO 41 N -3.46 -0.42 -0.41 4.33 0.02 -1.26 -5.00 135.00 128.79 1nu1 s PRO 41 Ca 0.00 -0.07 0.09 0.00 0.02 0.00 0.00 61.00 61.04 1nu1 s PRO 41 Cb 0.00 -1.69 0.42 0.00 0.02 0.00 0.00 34.50 33.25 1nu1 s PRO 41 CO 0.00 -3.18 1.05 0.28 -0.33 0.00 0.00 177.00 174.81 1nu1 n VAL 42 N -4.38 1.97 -1.64 3.83 0.31 -1.26 -4.85 118.33 112.30 1nu1 n VAL 42 Ca 0.12 -4.45 -0.01 0.00 -0.01 0.00 0.00 64.34 60.00 1nu1 n VAL 42 Cb 0.59 -0.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 1nu1 n VAL 42 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1nu1 n LEU 43 N -0.33 -2.36 -4.87 7.52 4.77 -1.26 -5.06 117.00 115.41 1nu1 n LEU 43 Ca 0.30 -0.04 -0.34 0.00 -0.03 0.00 0.00 56.01 55.90 1nu1 n LEU 43 Cb 0.69 -0.94 -0.05 0.00 -2.33 0.00 0.00 43.42 40.79 1nu1 n LEU 43 CO 0.31 -0.04 0.05 -1.81 -1.33 0.00 0.00 177.39 174.58 1nu1 s ASP 44 N -2.62 6.60 0.00 -1.43 1.01 -1.26 -4.69 116.67 114.28 1nu1 s ASP 44 Ca 0.02 0.74 0.00 0.00 0.71 0.00 0.00 52.55 54.02 1nu1 s ASP 44 Cb -0.00 -2.16 0.00 0.00 1.01 0.00 0.00 42.92 41.77 1nu1 s ASP 44 CO 0.06 0.17 0.00 0.18 0.21 0.00 0.00 175.17 175.79 1nu1 n LEU 45 N 0.83 0.00 0.00 1.23 4.77 -1.26 -4.70 117.00 117.87 1nu1 n LEU 45 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1nu1 n LEU 45 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1nu1 n LEU 45 CO 0.43 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.66 1nu1 n LYS 46 N -0.05 0.00 0.00 3.23 4.81 -1.26 -5.18 118.16 119.71 1nu1 n LYS 46 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1nu1 n LYS 46 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1nu1 n LYS 46 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1nu1 n ARG 47 N 0.00 0.00 0.00 1.64 0.00 -1.26 -5.10 116.66 111.93 1nu1 n ARG 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1nu1 n ARG 47 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1nu1 n ARG 47 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1nu1 n SER 48 N 0.00 0.00 -4.89 6.15 3.41 -1.26 -4.94 113.62 112.09 1nu1 n SER 48 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 1nu1 n SER 48 Cb 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.02 1nu1 n SER 48 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1nu1 s VAL 49 N 0.00 2.29 0.00 -3.33 1.01 -1.26 -4.06 120.40 115.06 1nu1 s VAL 49 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1nu1 s VAL 49 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.40 1nu1 s VAL 49 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 175.10 175.28 1nu1 n LEU 50 N -2.89 0.00 -1.06 3.92 4.77 -1.26 -4.89 117.00 115.59 1nu1 n LEU 50 Ca 0.09 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.19 1nu1 n LEU 50 Cb 0.60 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 1nu1 n LEU 50 CO 0.51 0.00 -0.25 0.00 -1.33 0.00 0.00 177.39 176.31 1nu1 s ARG 52 N -2.68 1.76 0.00 0.00 0.52 -1.26 -4.81 118.95 112.49 1nu1 s ARG 52 Ca 0.00 -1.94 0.00 0.00 -0.52 0.00 0.00 55.73 53.27 1nu1 s ARG 52 Cb 0.00 -1.46 0.00 0.00 0.52 0.00 0.00 34.95 34.01 1nu1 s ARG 52 CO 0.00 0.03 0.00 0.39 0.02 0.00 0.00 175.30 175.74 1nu1 n GLU 53 N -0.77 0.00 -3.67 3.54 1.02 -1.26 -4.68 120.64 114.82 1nu1 n GLU 53 Ca -0.05 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.94 1nu1 n GLU 53 Cb 0.65 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.92 1nu1 n GLU 53 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1nu1 s SER 54 N -1.22 0.49 0.00 1.62 1.04 -1.26 -5.15 113.70 109.22 1nu1 s SER 54 Ca 0.00 0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.89 1nu1 s SER 54 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1nu1 s SER 54 CO 0.00 -0.24 0.00 0.18 0.98 0.00 0.00 173.24 174.16 1nu1 n LEU 55 N 5.25 0.00 0.00 2.42 4.77 -1.26 -5.19 117.00 122.99 1nu1 n LEU 55 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1nu1 n LEU 55 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1nu1 n LEU 55 CO 0.04 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.64 1nu1 n ARG 56 N 0.00 0.00 0.00 3.23 5.12 -1.26 -5.33 116.66 118.42 1nu1 n ARG 56 Ca 0.00 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 55.97 1nu1 n ARG 56 Cb 0.00 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.34 1nu1 n ARG 56 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11