#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4x n ASP 1 N 0.00 0.58 -4.59 7.83 2.03 -1.26 -4.99 116.55 116.15 1n4x n ASP 1 Ca 0.00 0.18 -0.43 0.00 0.52 0.00 0.00 54.79 55.07 1n4x n ASP 1 Cb 0.00 -0.10 -0.02 0.00 -0.72 0.00 0.00 41.12 40.28 1n4x n ASP 1 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1n4x s ILE 2 N -1.76 3.95 0.14 5.18 1.01 -1.26 -4.97 121.20 123.48 1n4x s ILE 2 Ca 0.00 0.92 -0.30 0.00 0.00 0.00 0.00 60.65 61.27 1n4x s ILE 2 Cb 0.00 -4.41 -0.07 0.00 0.01 0.00 0.00 42.46 37.99 1n4x s ILE 2 CO 0.00 -0.98 1.21 -0.22 0.00 0.00 0.00 174.94 174.95 1n4x s LEU 3 N 5.35 4.42 -0.26 2.97 2.96 -1.26 -4.79 118.68 128.07 1n4x s LEU 3 Ca 0.54 2.17 -0.01 0.00 -0.22 0.00 0.00 54.13 56.61 1n4x s LEU 3 Cb -0.11 -3.60 0.04 0.00 0.50 0.00 0.00 46.19 43.02 1n4x s LEU 3 CO 0.30 -0.42 -0.07 -0.04 -1.32 0.00 0.00 176.35 174.80 1n4x s MET 4 N 0.29 2.66 -0.17 1.98 -1.94 -1.26 -0.67 119.30 120.18 1n4x s MET 4 Ca 0.56 -1.09 -0.04 0.00 -1.71 0.00 0.00 55.69 53.41 1n4x s MET 4 Cb -0.32 -2.98 -0.02 0.00 2.01 0.00 0.00 34.83 33.52 1n4x s MET 4 CO 0.34 -0.46 -0.03 0.99 -0.01 0.00 0.00 175.02 175.84 1n4x s THR 5 N 1.27 3.80 0.05 2.05 2.01 0.21 -3.91 115.64 121.11 1n4x s THR 5 Ca -0.02 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.61 1n4x s THR 5 Cb -0.18 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 1n4x s THR 5 CO -0.04 0.47 0.12 -1.10 -0.69 0.00 0.00 174.62 173.37 1n4x s GLN 6 N 0.68 3.10 -0.04 4.92 -0.21 -1.26 -0.03 119.66 126.81 1n4x s GLN 6 Ca -0.02 -0.56 -0.01 0.00 0.02 0.00 0.00 55.36 54.79 1n4x s GLN 6 Cb -0.14 -2.86 0.03 0.00 1.00 0.00 0.00 33.01 31.04 1n4x s GLN 6 CO 0.02 0.60 0.07 0.99 -2.12 0.00 0.00 175.29 174.86 1n4x s THR 7 N -1.37 -0.09 0.55 -0.19 2.01 0.01 -4.33 115.64 112.23 1n4x s THR 7 Ca 0.29 0.29 -0.02 0.00 0.31 0.00 0.00 61.69 62.56 1n4x s THR 7 Cb -0.12 -0.15 0.02 0.00 0.01 0.00 0.00 72.50 72.25 1n4x s THR 7 CO 0.21 0.12 0.80 -2.16 -0.69 0.00 0.00 174.62 172.90 1n4x s PRO 8 N 1.53 2.78 0.21 4.92 0.04 -1.26 0.17 135.00 143.39 1n4x s PRO 8 Ca -0.04 -0.40 0.11 0.00 0.04 0.00 0.00 61.00 60.70 1n4x s PRO 8 Cb -0.12 -2.41 0.06 0.00 0.04 0.00 0.00 34.50 32.06 1n4x s PRO 8 CO -0.04 -0.62 1.43 -0.07 0.04 0.00 0.00 177.00 177.74 1n4x h LEU 9 N 0.03 0.00 -7.76 -3.56 4.07 -1.86 -3.43 115.31 102.80 1n4x h LEU 9 Ca -0.45 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.01 1n4x h LEU 9 Cb 1.27 0.00 -0.36 0.00 1.08 0.00 0.00 40.66 42.65 1n4x h LEU 9 CO 0.57 0.75 -0.80 -0.47 -1.08 0.00 0.00 178.44 177.41 1n4x s TYR 10 N -3.05 1.36 -0.69 1.13 5.04 -1.26 -1.74 117.35 118.14 1n4x s TYR 10 Ca 0.01 -0.60 0.05 0.00 -2.44 0.00 0.00 57.07 54.08 1n4x s TYR 10 Cb 0.10 -1.12 0.17 0.00 0.35 0.00 0.00 41.96 41.47 1n4x s TYR 10 CO 0.78 -0.42 0.49 -1.17 -1.34 0.00 0.00 175.55 173.89 1n4x s LEU 11 N 1.41 4.66 -0.15 6.97 2.96 0.94 -4.94 118.68 130.54 1n4x s LEU 11 Ca -0.01 -3.83 -0.29 0.00 -0.22 0.00 0.00 54.13 49.78 1n4x s LEU 11 Cb -0.13 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1n4x s LEU 11 CO -0.04 -0.09 1.22 -2.16 -1.32 0.00 0.00 176.35 173.96 1n4x s PRO 12 N -1.40 4.27 0.36 0.98 0.04 -1.26 -2.26 135.00 135.73 1n4x s PRO 12 Ca 0.25 1.63 0.05 0.00 0.04 0.00 0.00 61.00 62.97 1n4x s PRO 12 Cb -0.04 -3.70 -0.02 0.00 0.04 0.00 0.00 34.50 30.78 1n4x s PRO 12 CO -0.17 -0.63 0.17 1.33 0.04 0.00 0.00 177.00 177.74 1n4x n VAL 13 N 5.18 0.00 -4.41 -0.36 0.24 0.86 -4.89 118.33 114.95 1n4x n VAL 13 Ca 0.13 -2.22 -0.20 0.00 -2.04 0.00 0.00 64.34 60.02 1n4x n VAL 13 Cb 0.45 0.88 -0.14 0.00 -1.47 0.00 0.00 33.84 33.56 1n4x n VAL 13 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1n4x s SER 14 N -3.27 1.36 0.38 -1.34 0.01 -1.26 -0.21 113.70 109.36 1n4x s SER 14 Ca 0.24 -0.29 -0.22 0.00 1.31 0.00 0.00 55.95 56.99 1n4x s SER 14 Cb 0.01 -0.12 -0.15 0.00 0.21 0.00 0.00 66.02 65.97 1n4x s SER 14 CO 0.17 0.09 0.22 0.18 0.41 0.00 0.00 173.24 174.30 1n4x n LEU 15 N 2.48 -2.23 0.00 2.44 4.77 -1.26 -1.62 117.00 121.57 1n4x n LEU 15 Ca -0.15 0.87 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 1n4x n LEU 15 Cb 0.56 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1n4x n LEU 15 CO 0.24 -3.84 0.00 0.61 -1.33 0.00 0.00 177.39 173.07 1n4x n GLY 16 N 2.21 2.65 3.78 -0.72 0.00 0.36 -4.90 105.19 108.57 1n4x n GLY 16 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1n4x n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1n4x s ASP 17 N -0.38 4.65 0.57 1.61 3.68 -0.64 -4.23 116.67 121.92 1n4x s ASP 17 Ca 0.00 1.62 -0.07 0.00 2.13 0.00 0.00 52.55 56.23 1n4x s ASP 17 Cb 0.00 -2.38 -0.01 0.00 -1.45 0.00 0.00 42.92 39.07 1n4x s ASP 17 CO 0.00 -1.91 0.90 0.00 0.13 0.00 0.00 175.17 174.29 1n4x s GLN 18 N -5.00 3.22 -0.03 4.34 1.03 -1.20 -0.26 119.66 121.76 1n4x s GLN 18 Ca 0.60 0.22 -0.04 0.00 0.04 0.00 0.00 55.36 56.18 1n4x s GLN 18 Cb -0.16 -2.25 0.01 0.00 0.03 0.00 0.00 33.01 30.64 1n4x s GLN 18 CO 0.56 -0.55 0.11 0.00 -2.54 0.00 0.00 175.29 172.86 1n4x s ALA 19 N -2.98 -0.26 -0.02 2.60 0.00 0.33 -4.88 121.76 116.55 1n4x s ALA 19 Ca 0.52 0.20 0.01 0.00 0.00 0.00 0.00 51.96 52.69 1n4x s ALA 19 Cb -0.11 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1n4x s ALA 19 CO 0.47 -0.08 -0.02 -1.12 0.00 0.00 0.00 175.76 175.01 1n4x s SER 20 N -0.22 0.47 -0.09 0.00 0.01 -1.26 -0.25 113.70 112.36 1n4x s SER 20 Ca -0.03 -0.05 0.02 0.00 1.31 0.00 0.00 55.95 57.20 1n4x s SER 20 Cb -0.02 -0.19 0.02 0.00 0.21 0.00 0.00 66.02 66.04 1n4x s SER 20 CO 0.00 -0.04 -0.13 -0.63 0.41 0.00 0.00 173.24 172.85 1n4x s ILE 21 N 0.61 1.26 0.04 1.44 1.01 0.21 -4.63 121.20 121.14 1n4x s ILE 21 Ca -0.06 -0.51 -0.00 0.00 0.00 0.00 0.00 60.65 60.07 1n4x s ILE 21 Cb -0.09 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 1n4x s ILE 21 CO -0.01 0.39 0.17 -0.55 0.00 0.00 0.00 174.94 174.94 1n4x s SER 22 N 0.94 6.18 -0.04 3.58 0.15 0.13 -0.59 113.70 124.04 1n4x s SER 22 Ca -0.09 0.23 -0.02 0.00 0.70 0.00 0.00 55.95 56.78 1n4x s SER 22 Cb -0.15 -1.87 0.03 0.00 -1.71 0.00 0.00 66.02 62.33 1n4x s SER 22 CO 0.00 0.20 0.07 0.00 1.20 0.00 0.00 173.24 174.71 1n4x s ARG 24 N 1.95 3.15 0.09 0.00 3.52 0.95 -0.69 118.95 127.91 1n4x s ARG 24 Ca 0.02 -0.80 -0.06 0.00 -0.13 0.00 0.00 55.73 54.75 1n4x s ARG 24 Cb -0.12 -2.48 -0.05 0.00 -1.56 0.00 0.00 34.95 30.74 1n4x s ARG 24 CO -0.04 0.10 0.34 -1.54 -0.81 0.00 0.00 175.30 173.36 1n4x s SER 25 N 0.57 6.51 0.09 -2.12 1.04 -0.06 -0.62 113.70 119.11 1n4x s SER 25 Ca -0.11 0.60 0.21 0.00 0.48 0.00 0.00 55.95 57.13 1n4x s SER 25 Cb -0.16 -2.10 0.86 0.00 0.10 0.00 0.00 66.02 64.71 1n4x s SER 25 CO 0.04 0.14 1.66 -1.54 0.98 0.00 0.00 173.24 174.51 1n4x n SER 26 N 0.55 0.26 -3.97 7.02 3.41 0.15 -4.80 113.62 116.24 1n4x n SER 26 Ca -0.06 0.55 -0.10 0.00 -0.26 0.00 0.00 58.87 59.00 1n4x n SER 26 Cb 0.52 -0.61 -0.07 0.00 -0.26 0.00 0.00 64.21 63.79 1n4x n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1n4x s GLN 27 N -3.09 1.20 0.68 4.33 -0.21 -1.26 -4.97 119.66 116.33 1n4x s GLN 27 Ca 0.08 -1.19 -0.15 0.00 0.02 0.00 0.00 55.36 54.12 1n4x s GLN 27 Cb 0.12 0.38 0.01 0.00 1.00 0.00 0.00 33.01 34.52 1n4x s GLN 27 CO 0.39 -0.44 1.12 0.95 -2.12 0.00 0.00 175.29 175.18 1n4x s THR 28 N -3.98 3.17 -0.44 -0.19 -4.23 -1.26 -4.77 115.64 103.94 1n4x s THR 28 Ca 0.18 0.53 0.10 0.00 -1.18 0.00 0.00 61.69 61.32 1n4x s THR 28 Cb 0.03 -3.05 0.38 0.00 1.34 0.00 0.00 72.50 71.20 1n4x s THR 28 CO 0.01 -0.35 0.91 2.30 -0.54 0.00 0.00 174.62 176.95 1n4x n ILE 29 N -2.55 1.55 -3.81 2.99 -5.35 -1.26 -5.01 119.36 105.93 1n4x n ILE 29 Ca 0.10 -4.69 -0.36 0.00 -0.27 0.00 0.00 62.75 57.54 1n4x n ILE 29 Cb 0.52 -0.64 -0.10 0.00 -1.74 0.00 0.00 39.64 37.68 1n4x n ILE 29 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1n4x s VAL 30 N -3.79 5.00 0.68 7.28 1.01 -1.26 -4.04 120.40 125.28 1n4x s VAL 30 Ca 0.42 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.31 1n4x s VAL 30 Cb 0.36 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 33.45 1n4x s VAL 30 CO -0.10 0.39 1.10 -2.28 0.00 0.00 0.00 175.10 174.22 1n4x s HIS 31 N 0.84 2.64 0.26 5.22 2.46 0.17 -4.87 115.29 122.02 1n4x s HIS 31 Ca 0.06 1.55 0.25 0.00 0.47 0.00 0.00 55.06 57.38 1n4x s HIS 31 Cb -0.13 -3.12 1.36 0.00 -0.13 0.00 0.00 32.58 30.56 1n4x s HIS 31 CO 0.02 -1.67 1.74 -2.95 -2.47 0.00 0.00 174.74 169.41 1n4x h ASN 32 N -0.24 0.00 -0.51 9.88 7.08 -1.87 0.38 115.58 130.30 1n4x h ASN 32 Ca -0.46 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.76 1n4x h ASN 32 Cb 1.24 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.48 1n4x h ASN 32 CO 0.54 0.00 0.00 -0.46 -2.08 0.00 0.00 177.43 175.43 1n4x n ASN 33 N -2.51 2.99 0.00 6.14 6.94 -1.26 -4.93 115.26 122.63 1n4x n ASN 33 Ca -0.02 -2.08 0.00 0.00 -0.02 0.00 0.00 54.58 52.46 1n4x n ASN 33 Cb 0.23 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.27 1n4x n ASN 33 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1n4x n GLY 34 N 1.22 2.12 3.88 4.83 0.00 0.13 -5.04 105.19 112.33 1n4x n GLY 34 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1n4x n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n4x s ASN 35 N -3.49 6.61 -0.50 1.61 0.01 -1.25 -4.75 114.94 113.17 1n4x s ASN 35 Ca 0.00 0.83 -0.08 0.00 -0.71 0.00 0.00 52.86 52.90 1n4x s ASN 35 Cb 0.00 -2.19 0.13 0.00 0.41 0.00 0.00 41.25 39.60 1n4x s ASN 35 CO 0.00 0.01 0.36 -0.89 -1.51 0.00 0.00 177.10 175.07 1n4x s THR 36 N -1.69 4.15 -1.41 1.60 2.01 -1.26 0.46 115.64 119.49 1n4x s THR 36 Ca 0.43 -1.97 -0.15 0.00 0.31 0.00 0.00 61.69 60.31 1n4x s THR 36 Cb -0.12 -3.73 0.05 0.00 0.01 0.00 0.00 72.50 68.71 1n4x s THR 36 CO 0.21 -0.79 2.09 -1.22 -0.69 0.00 0.00 174.62 174.22 1n4x n TYR 37 N 4.69 3.86 -3.71 4.92 4.01 -1.26 -3.83 117.16 125.84 1n4x n TYR 37 Ca -0.05 -2.94 -0.38 0.00 -0.16 0.00 0.00 57.90 54.38 1n4x n TYR 37 Cb 0.41 -2.58 -0.12 0.00 -0.31 0.00 0.00 39.34 36.74 1n4x n TYR 37 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1n4x s LEU 38 N 2.76 3.87 0.22 7.72 1.98 -1.26 -1.44 118.68 132.54 1n4x s LEU 38 Ca 0.49 -0.52 0.12 0.00 -2.89 0.00 0.00 54.13 51.33 1n4x s LEU 38 Cb 0.11 -1.94 -0.05 0.00 0.66 0.00 0.00 46.19 44.97 1n4x s LEU 38 CO -0.04 -0.16 -0.23 -1.61 -1.89 0.00 0.00 176.35 172.43 1n4x s GLU 39 N 1.58 1.57 -0.03 1.98 8.01 -0.05 -0.56 118.70 131.20 1n4x s GLU 39 Ca 0.04 -1.61 0.07 0.00 0.01 0.00 0.00 54.97 53.48 1n4x s GLU 39 Cb -0.17 -1.81 -0.02 0.00 -4.31 0.00 0.00 34.13 27.82 1n4x s GLU 39 CO 0.04 0.37 -0.24 -1.58 0.01 0.00 0.00 175.26 173.87 1n4x s TRP 40 N -1.98 2.41 0.12 1.61 0.52 -0.03 -0.74 118.94 120.86 1n4x s TRP 40 Ca 0.24 -0.43 0.08 0.00 0.02 0.00 0.00 56.10 56.01 1n4x s TRP 40 Cb -0.07 -1.54 -0.04 0.00 -1.15 0.00 0.00 33.47 30.68 1n4x s TRP 40 CO 0.12 -0.03 -0.19 0.71 0.02 0.00 0.00 176.95 177.58 1n4x s TYR 41 N -0.56 1.70 -0.07 -1.98 1.51 0.22 -0.92 117.35 117.24 1n4x s TYR 41 Ca 0.08 -0.45 0.03 0.00 -1.01 0.00 0.00 57.07 55.72 1n4x s TYR 41 Cb -0.11 -0.90 0.01 0.00 -0.11 0.00 0.00 41.96 40.85 1n4x s TYR 41 CO -0.00 0.22 -0.16 -1.17 -1.11 0.00 0.00 175.55 173.33 1n4x s LEU 42 N -2.20 1.81 -0.33 -1.29 2.96 -0.33 -0.94 118.68 118.36 1n4x s LEU 42 Ca 0.09 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1n4x s LEU 42 Cb -0.08 -1.02 0.08 0.00 0.50 0.00 0.00 46.19 45.68 1n4x s LEU 42 CO 0.05 0.08 0.04 -1.58 -1.32 0.00 0.00 176.35 173.62 1n4x s GLN 43 N 0.50 1.93 0.62 1.98 0.74 -0.10 -0.52 119.66 124.83 1n4x s GLN 43 Ca -0.15 -1.64 -0.15 0.00 0.05 0.00 0.00 55.36 53.47 1n4x s GLN 43 Cb -0.16 -3.23 -0.02 0.00 1.10 0.00 0.00 33.01 30.70 1n4x s GLN 43 CO 0.05 -0.84 1.07 0.15 -0.55 0.00 0.00 175.29 175.17 1n4x s LYS 44 N 1.06 3.15 0.12 1.67 1.02 -1.26 -1.81 119.74 123.69 1n4x s LYS 44 Ca 0.03 1.19 -0.34 0.00 0.02 0.00 0.00 55.97 56.88 1n4x s LYS 44 Cb -0.20 -2.01 -0.14 0.00 -0.52 0.00 0.00 37.83 34.96 1n4x s LYS 44 CO -0.05 -0.95 1.61 -2.30 -0.92 0.00 0.00 175.35 172.75 1n4x n PRO 45 N -2.29 2.11 -1.02 -1.68 -0.02 -1.26 -1.13 135.00 129.70 1n4x n PRO 45 Ca 0.09 0.76 -0.01 0.00 -2.02 0.00 0.00 63.50 62.32 1n4x n PRO 45 Cb 0.53 -2.54 -0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1n4x n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n4x n GLY 46 N 3.53 0.48 3.40 -1.23 0.00 -1.26 -5.02 105.19 105.09 1n4x n GLY 46 Ca 0.18 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1n4x n GLY 46 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n4x s GLN 47 N -0.81 1.55 0.35 1.61 -0.21 -0.28 -5.15 119.66 116.71 1n4x s GLN 47 Ca 0.00 -1.84 -0.03 0.00 0.02 0.00 0.00 55.36 53.51 1n4x s GLN 47 Cb 0.00 -0.67 -0.04 0.00 1.00 0.00 0.00 33.01 33.30 1n4x s GLN 47 CO 0.00 -0.20 0.60 -1.54 -2.12 0.00 0.00 175.29 172.02 1n4x s SER 48 N -3.42 6.34 0.58 5.90 1.04 -1.26 -4.56 113.70 118.32 1n4x s SER 48 Ca 0.36 0.64 -0.19 0.00 0.48 0.00 0.00 55.95 57.23 1n4x s SER 48 Cb 0.08 -2.11 -0.05 0.00 0.10 0.00 0.00 66.02 64.04 1n4x s SER 48 CO 0.14 -0.31 1.05 -2.65 0.98 0.00 0.00 173.24 172.45 1n4x n PRO 49 N -1.57 1.07 -4.29 4.02 -0.02 -1.26 -4.55 135.00 128.40 1n4x n PRO 49 Ca -0.03 0.41 -0.18 0.00 -2.02 0.00 0.00 63.50 61.69 1n4x n PRO 49 Cb 0.55 -2.24 -0.14 0.00 -0.02 0.00 0.00 33.50 31.65 1n4x n PRO 49 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1n4x s GLN 50 N -2.75 0.67 0.11 -0.52 -2.07 0.33 -4.94 119.66 110.49 1n4x s GLN 50 Ca 0.74 -0.40 -0.31 0.00 -1.82 0.00 0.00 55.36 53.57 1n4x s GLN 50 Cb -0.43 -0.63 -0.07 0.00 -1.09 0.00 0.00 33.01 30.79 1n4x s GLN 50 CO 0.48 0.17 1.31 -1.17 -1.32 0.00 0.00 175.29 174.75 1n4x s LEU 51 N -0.48 4.38 -0.12 2.60 2.96 -1.26 -1.18 118.68 125.57 1n4x s LEU 51 Ca 0.01 2.23 -0.04 0.00 -0.22 0.00 0.00 54.13 56.10 1n4x s LEU 51 Cb -0.05 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 43.00 1n4x s LEU 51 CO -0.00 -0.56 -0.15 0.18 -1.32 0.00 0.00 176.35 174.50 1n4x n LEU 52 N 3.72 1.43 -3.98 -0.68 4.77 -0.10 -4.73 117.00 117.42 1n4x n LEU 52 Ca 0.10 0.10 -0.18 0.00 -0.03 0.00 0.00 56.01 55.99 1n4x n LEU 52 Cb 0.44 -0.38 -0.15 0.00 -2.33 0.00 0.00 43.42 41.00 1n4x n LEU 52 CO 0.57 0.38 -0.42 -0.63 -1.33 0.00 0.00 177.39 175.96 1n4x s ILE 53 N -2.23 0.60 0.12 -0.08 -1.09 -1.13 -1.19 121.20 116.21 1n4x s ILE 53 Ca -0.17 -0.30 0.04 0.00 -2.23 0.00 0.00 60.65 57.99 1n4x s ILE 53 Cb 0.06 -0.52 -0.04 0.00 -1.58 0.00 0.00 42.46 40.38 1n4x s ILE 53 CO 0.23 0.18 -0.10 -0.72 -1.23 0.00 0.00 174.94 173.31 1n4x s TYR 54 N -0.01 1.17 -1.39 3.97 1.13 0.29 -0.85 117.35 121.66 1n4x s TYR 54 Ca 0.00 -0.72 -0.08 0.00 -1.41 0.00 0.00 57.07 54.86 1n4x s TYR 54 Cb -0.05 -0.62 0.03 0.00 -1.10 0.00 0.00 41.96 40.23 1n4x s TYR 54 CO -0.00 0.04 1.03 1.63 -2.51 0.00 0.00 175.55 175.74 1n4x n LYS 55 N 0.12 -6.59 0.00 -3.49 4.76 -1.08 -1.08 118.16 110.79 1n4x n LYS 55 Ca -0.13 0.73 0.00 0.00 -2.87 0.00 0.00 58.31 56.04 1n4x n LYS 55 Cb 0.59 -5.66 0.00 0.00 -1.84 0.00 0.00 35.03 28.12 1n4x n LYS 55 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1n4x n VAL 56 N -4.70 0.00 -0.85 -0.18 0.31 0.28 -4.08 118.33 109.11 1n4x n VAL 56 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1n4x n VAL 56 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 1n4x n VAL 56 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1n4x n SER 57 N 1.54 0.22 -4.64 4.52 3.41 -1.20 -3.64 113.62 113.82 1n4x n SER 57 Ca 0.00 -1.07 -0.41 0.00 -0.26 0.00 0.00 58.87 57.13 1n4x n SER 57 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1n4x n SER 57 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1n4x s ASN 58 N -0.07 6.75 0.24 4.04 -0.87 -0.24 -4.50 114.94 120.27 1n4x s ASN 58 Ca 0.00 0.92 -0.30 0.00 -1.57 0.00 0.00 52.86 51.91 1n4x s ASN 58 Cb 0.00 -2.39 -0.09 0.00 -0.02 0.00 0.00 41.25 38.75 1n4x s ASN 58 CO 0.00 -0.42 1.15 -0.13 -2.57 0.00 0.00 177.10 175.13 1n4x s ARG 59 N 2.51 4.56 0.82 -0.60 0.52 -1.26 -0.55 118.95 124.95 1n4x s ARG 59 Ca 0.32 1.85 -0.12 0.00 -0.52 0.00 0.00 55.73 57.26 1n4x s ARG 59 Cb -0.16 -3.21 0.09 0.00 0.52 0.00 0.00 34.95 32.19 1n4x s ARG 59 CO 0.09 0.05 1.15 0.12 0.02 0.00 0.00 175.30 176.72 1n4x s PHE 60 N -0.63 2.87 0.25 -0.53 5.36 -0.33 -4.91 117.98 120.06 1n4x s PHE 60 Ca 0.49 0.87 -0.31 0.00 -0.96 0.00 0.00 56.93 57.01 1n4x s PHE 60 Cb -0.32 -3.36 -0.13 0.00 -0.34 0.00 0.00 43.02 38.87 1n4x s PHE 60 CO 0.40 -1.86 1.52 0.43 -1.46 0.00 0.00 175.22 174.24 1n4x n SER 61 N -3.41 3.27 0.00 6.13 7.64 -1.26 -2.02 113.62 123.97 1n4x n SER 61 Ca 0.07 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1n4x n SER 61 Cb 0.59 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1n4x n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n4x n GLY 62 N 2.45 1.10 3.68 0.23 0.00 -1.26 -4.99 105.19 106.40 1n4x n GLY 62 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1n4x n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n4x s VAL 63 N -3.20 4.54 0.60 1.61 1.01 -0.86 -5.00 120.40 119.11 1n4x s VAL 63 Ca 0.00 1.84 -0.18 0.00 0.00 0.00 0.00 61.98 63.63 1n4x s VAL 63 Cb 0.00 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 1n4x s VAL 63 CO 0.00 -0.02 0.87 -2.65 0.00 0.00 0.00 175.10 173.30 1n4x n PRO 64 N 5.28 0.80 0.03 2.72 -0.02 -1.26 -4.86 135.00 137.68 1n4x n PRO 64 Ca 0.10 0.31 0.07 0.00 -2.02 0.00 0.00 63.50 61.96 1n4x n PRO 64 Cb 0.47 -2.06 0.31 0.00 -0.02 0.00 0.00 33.50 32.20 1n4x n PRO 64 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1n4x n ASP 65 N -0.52 0.16 0.17 2.55 8.00 -1.26 -2.14 116.55 123.51 1n4x n ASP 65 Ca 0.13 0.54 0.13 0.00 0.71 0.00 0.00 54.79 56.31 1n4x n ASP 65 Cb 0.47 -0.57 0.57 0.00 -0.02 0.00 0.00 41.12 41.57 1n4x n ASP 65 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1n4x h ARG 66 N 0.00 0.00 -5.20 -1.24 3.08 -1.94 -3.41 114.38 105.67 1n4x h ARG 66 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1n4x h ARG 66 Cb 0.22 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.14 1n4x h ARG 66 CO 0.00 0.00 -0.44 -0.06 -1.07 0.00 0.00 179.97 178.40 1n4x s PHE 67 N -3.45 3.35 0.00 3.04 0.08 -0.91 -1.70 117.98 118.40 1n4x s PHE 67 Ca 0.02 0.33 -0.06 0.00 0.12 0.00 0.00 56.93 57.34 1n4x s PHE 67 Cb 0.09 -2.29 -0.00 0.00 -0.57 0.00 0.00 43.02 40.24 1n4x s PHE 67 CO 0.38 0.11 0.11 -1.54 -0.10 0.00 0.00 175.22 174.18 1n4x s SER 68 N 0.88 0.05 0.08 1.36 1.04 -0.74 -4.93 113.70 111.45 1n4x s SER 68 Ca 0.10 -0.24 0.06 0.00 0.48 0.00 0.00 55.95 56.36 1n4x s SER 68 Cb -0.13 0.19 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 1n4x s SER 68 CO 0.04 -0.35 -0.17 -0.83 0.98 0.00 0.00 173.24 172.91 1n4x s GLY 69 N -1.35 1.01 0.30 7.32 0.00 -1.26 -0.73 107.32 112.60 1n4x s GLY 69 Ca -0.14 -1.09 -0.06 0.00 0.00 0.00 0.00 44.72 43.43 1n4x s GLY 69 CO 0.01 -1.10 0.45 -1.35 0.00 0.00 0.00 173.10 171.11 1n4x s SER 70 N -1.77 0.53 0.00 1.64 1.04 -0.15 -4.27 113.70 110.73 1n4x s SER 70 Ca 0.01 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.13 1n4x s SER 70 Cb -0.10 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1n4x s SER 70 CO 0.03 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.65 1n4x n GLY 71 N -0.48 3.97 0.00 7.32 0.00 -1.26 0.31 105.19 115.04 1n4x n GLY 71 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1n4x n GLY 71 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n4x n SER 72 N 0.00 0.00 -0.10 1.61 7.64 0.28 -4.93 113.62 118.13 1n4x n SER 72 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 1n4x n SER 72 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1n4x n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n4x n GLY 73 N 5.00 -0.85 0.00 0.23 0.00 -1.26 -4.67 105.19 103.64 1n4x n GLY 73 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1n4x n GLY 73 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n4x n THR 74 N -4.46 0.75 -3.82 2.61 -2.24 -1.26 -4.04 114.28 101.81 1n4x n THR 74 Ca -0.28 -0.80 -0.27 0.00 -2.27 0.00 0.00 64.05 60.43 1n4x n THR 74 Cb 0.60 0.64 -0.17 0.00 -2.10 0.00 0.00 70.33 69.31 1n4x n THR 74 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n4x s ASP 75 N -0.75 2.49 0.15 3.42 2.15 -1.26 -0.88 116.67 121.99 1n4x s ASP 75 Ca 0.00 -0.53 0.10 0.00 0.43 0.00 0.00 52.55 52.54 1n4x s ASP 75 Cb 0.00 -0.71 -0.04 0.00 -0.30 0.00 0.00 42.92 41.87 1n4x s ASP 75 CO 0.00 -0.21 -0.22 -0.36 -0.17 0.00 0.00 175.17 174.21 1n4x s PHE 76 N 1.78 2.03 -0.02 -5.34 0.40 0.13 -0.56 117.98 116.41 1n4x s PHE 76 Ca 0.02 -0.41 0.02 0.00 -0.60 0.00 0.00 56.93 55.96 1n4x s PHE 76 Cb -0.15 -1.06 0.00 0.00 0.51 0.00 0.00 43.02 42.33 1n4x s PHE 76 CO -0.07 0.34 -0.07 0.99 0.70 0.00 0.00 175.22 177.11 1n4x s THR 77 N -1.51 0.62 -0.18 0.64 2.01 0.15 -0.79 115.64 116.58 1n4x s THR 77 Ca 0.14 -0.28 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 1n4x s THR 77 Cb -0.08 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 71.85 1n4x s THR 77 CO 0.07 0.20 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.94 1n4x s LEU 78 N 0.15 3.14 0.02 4.42 2.96 0.25 -0.97 118.68 128.64 1n4x s LEU 78 Ca -0.02 -0.22 0.08 0.00 -0.22 0.00 0.00 54.13 53.76 1n4x s LEU 78 Cb -0.07 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 1n4x s LEU 78 CO 0.00 0.10 -0.25 -0.54 -1.32 0.00 0.00 176.35 174.33 1n4x s LYS 79 N 0.80 1.83 -0.28 1.98 1.02 0.09 -0.62 119.74 124.56 1n4x s LYS 79 Ca -0.01 -1.01 0.02 0.00 0.02 0.00 0.00 55.97 55.00 1n4x s LYS 79 Cb -0.14 -1.91 0.08 0.00 -0.52 0.00 0.00 37.83 35.33 1n4x s LYS 79 CO 0.02 0.51 -0.03 0.42 -0.92 0.00 0.00 175.35 175.35 1n4x s ILE 80 N -0.72 1.88 0.12 2.17 1.01 0.65 -1.79 121.20 124.52 1n4x s ILE 80 Ca 0.10 -1.69 -0.32 0.00 0.00 0.00 0.00 60.65 58.75 1n4x s ILE 80 Cb -0.10 -2.19 -0.10 0.00 0.01 0.00 0.00 42.46 40.09 1n4x s ILE 80 CO 0.01 -0.28 1.57 0.77 0.00 0.00 0.00 174.94 177.01 1n4x h SER 81 N 7.81 -1.48 -3.21 3.58 4.64 -1.60 0.97 113.55 124.26 1n4x h SER 81 Ca -0.14 0.18 -0.52 0.00 -0.47 0.00 0.00 61.79 60.83 1n4x h SER 81 Cb 1.04 0.58 -0.37 0.00 -0.31 0.00 0.00 62.40 63.34 1n4x h SER 81 CO 0.46 -0.48 -0.80 -0.13 -0.87 0.00 0.00 176.83 175.01 1n4x s ARG 82 N -5.82 1.42 -0.04 4.77 0.52 -1.26 -3.25 118.95 115.29 1n4x s ARG 82 Ca -0.16 -0.27 -0.30 0.00 -0.52 0.00 0.00 55.73 54.49 1n4x s ARG 82 Cb 0.08 -1.61 -0.03 0.00 0.52 0.00 0.00 34.95 33.91 1n4x s ARG 82 CO 0.63 -0.30 1.13 0.08 0.02 0.00 0.00 175.30 176.86 1n4x s VAL 83 N 1.72 4.41 0.25 3.52 1.01 0.64 -4.82 120.40 127.13 1n4x s VAL 83 Ca 0.04 1.72 0.09 0.00 0.00 0.00 0.00 61.98 63.83 1n4x s VAL 83 Cb -0.13 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1n4x s VAL 83 CO -0.08 0.03 0.04 -1.61 0.00 0.00 0.00 175.10 173.48 1n4x s GLU 84 N 1.87 2.44 0.52 2.72 2.02 -1.26 -0.48 118.70 126.52 1n4x s GLU 84 Ca 0.54 -1.29 0.26 0.00 0.02 0.00 0.00 54.97 54.50 1n4x s GLU 84 Cb -0.24 -2.28 1.39 0.00 0.10 0.00 0.00 34.13 33.11 1n4x s GLU 84 CO 0.23 0.39 1.96 0.00 0.02 0.00 0.00 175.26 177.85 1n4x h ALA 85 N 1.94 2.56 0.00 5.21 0.00 -2.00 0.15 119.26 127.11 1n4x h ALA 85 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1n4x h ALA 85 Cb 1.24 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1n4x h ALA 85 CO 0.60 -0.74 0.00 -0.85 0.00 0.00 0.00 179.25 178.26 1n4x n GLU 86 N -4.36 1.00 0.00 0.00 0.28 -1.26 -3.04 120.64 113.26 1n4x n GLU 86 Ca 0.13 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.24 1n4x n GLU 86 Cb 0.70 -1.27 0.05 0.00 1.43 0.00 0.00 31.44 32.35 1n4x n GLU 86 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1n4x n ASP 87 N -0.77 1.04 -4.68 -1.84 8.00 0.52 -4.95 116.55 113.86 1n4x n ASP 87 Ca 0.13 -0.87 -0.41 0.00 0.71 0.00 0.00 54.79 54.35 1n4x n ASP 87 Cb 0.06 0.61 0.01 0.00 -0.02 0.00 0.00 41.12 41.78 1n4x n ASP 87 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1n4x n LEU 88 N -1.15 3.76 0.00 0.64 7.99 -1.17 -4.84 117.00 122.23 1n4x n LEU 88 Ca 0.06 1.10 0.00 0.00 -0.01 0.00 0.00 56.01 57.16 1n4x n LEU 88 Cb 0.36 -1.47 0.00 0.00 -0.11 0.00 0.00 43.42 42.19 1n4x n LEU 88 CO 0.36 -0.79 0.00 0.61 -1.51 0.00 0.00 177.39 176.07 1n4x n GLY 89 N 0.88 0.56 3.39 -0.72 0.00 -1.09 -4.42 105.19 103.78 1n4x n GLY 89 Ca 0.07 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.02 1n4x n GLY 89 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n4x s ILE 90 N -2.60 3.16 -0.11 -0.61 1.01 -0.75 -1.04 121.20 120.26 1n4x s ILE 90 Ca 0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 1n4x s ILE 90 Cb 0.00 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1n4x s ILE 90 CO 0.00 0.52 0.08 -0.31 0.00 0.00 0.00 174.94 175.23 1n4x s TYR 91 N 0.33 3.38 -0.02 3.97 1.51 0.12 -0.92 117.35 125.73 1n4x s TYR 91 Ca -0.10 0.34 0.04 0.00 -1.01 0.00 0.00 57.07 56.34 1n4x s TYR 91 Cb -0.16 -1.90 -0.01 0.00 -0.11 0.00 0.00 41.96 39.79 1n4x s TYR 91 CO 0.05 0.56 -0.12 0.71 -1.11 0.00 0.00 175.55 175.64 1n4x s TYR 92 N -0.79 1.15 0.36 2.71 2.02 -0.12 -0.71 117.35 121.98 1n4x s TYR 92 Ca 0.13 -0.25 0.03 0.00 -0.37 0.00 0.00 57.07 56.61 1n4x s TYR 92 Cb -0.12 -0.76 -0.02 0.00 -0.40 0.00 0.00 41.96 40.67 1n4x s TYR 92 CO 0.03 -0.05 0.53 0.00 -1.57 0.00 0.00 175.55 174.49 1n4x s PHE 94 N -2.29 -0.59 -0.10 0.00 5.36 0.08 -0.96 117.98 119.47 1n4x s PHE 94 Ca 0.43 1.41 0.04 0.00 -0.96 0.00 0.00 56.93 57.85 1n4x s PHE 94 Cb -0.10 0.22 0.00 0.00 -0.34 0.00 0.00 43.02 42.80 1n4x s PHE 94 CO 0.34 -0.29 -0.24 1.14 -1.46 0.00 0.00 175.22 174.71 1n4x s GLN 95 N 0.40 3.02 -0.18 10.12 1.03 -0.26 -0.87 119.66 132.92 1n4x s GLN 95 Ca -0.01 -0.87 0.13 0.00 0.04 0.00 0.00 55.36 54.65 1n4x s GLN 95 Cb -0.04 -2.30 0.40 0.00 0.03 0.00 0.00 33.01 31.10 1n4x s GLN 95 CO -0.01 0.16 1.21 0.41 -2.54 0.00 0.00 175.29 174.51 1n4x n GLY 96 N 3.58 4.61 0.12 2.60 0.00 -0.52 -1.84 105.19 113.75 1n4x n GLY 96 Ca -0.19 -1.23 -0.19 0.00 0.00 0.00 0.00 46.02 44.41 1n4x n GLY 96 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1n4x h SER 97 N 0.90 0.42 -4.26 1.61 0.02 -1.85 -3.46 113.55 106.91 1n4x h SER 97 Ca -0.03 -0.69 -0.52 0.00 -0.84 0.00 0.00 61.79 59.72 1n4x h SER 97 Cb 1.10 -0.14 -0.29 0.00 0.14 0.00 0.00 62.40 63.21 1n4x h SER 97 CO 0.01 1.59 -0.83 -1.00 -1.14 0.00 0.00 176.83 175.47 1n4x s HIS 98 N -2.59 1.45 0.17 3.45 3.76 -1.26 -4.52 115.29 115.75 1n4x s HIS 98 Ca -0.14 -0.28 -0.30 0.00 -0.15 0.00 0.00 55.06 54.20 1n4x s HIS 98 Cb 0.06 -0.94 -0.07 0.00 1.11 0.00 0.00 32.58 32.75 1n4x s HIS 98 CO 0.83 -0.03 0.96 0.12 -0.85 0.00 0.00 174.74 175.77 1n4x s PHE 99 N -0.36 3.88 0.32 1.40 2.19 -1.26 -3.33 117.98 120.82 1n4x s PHE 99 Ca 0.06 1.84 -0.16 0.00 0.33 0.00 0.00 56.93 59.00 1n4x s PHE 99 Cb -0.06 -3.04 -0.09 0.00 -1.31 0.00 0.00 43.02 38.52 1n4x s PHE 99 CO -0.01 0.26 0.76 -1.25 1.83 0.00 0.00 175.22 176.82 1n4x s PRO 100 N -0.57 4.07 0.42 10.12 0.04 -1.26 -4.95 135.00 142.88 1n4x s PRO 100 Ca 0.44 0.76 -0.26 0.00 0.04 0.00 0.00 61.00 61.98 1n4x s PRO 100 Cb -0.25 -2.47 -0.09 0.00 0.04 0.00 0.00 34.50 31.72 1n4x s PRO 100 CO 0.31 0.17 1.43 -2.30 0.04 0.00 0.00 177.00 176.65 1n4x n PRO 101 N -0.23 2.34 -4.19 0.56 -0.02 -1.21 -4.72 135.00 127.53 1n4x n PRO 101 Ca 0.03 0.83 -0.17 0.00 -2.02 0.00 0.00 63.50 62.17 1n4x n PRO 101 Cb 0.53 -2.61 -0.11 0.00 -0.02 0.00 0.00 33.50 31.29 1n4x n PRO 101 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1n4x s THR 102 N -1.17 1.14 0.19 3.45 -4.23 -0.76 -4.88 115.64 109.37 1n4x s THR 102 Ca 0.59 -1.50 0.09 0.00 -1.18 0.00 0.00 61.69 59.68 1n4x s THR 102 Cb -0.47 -1.27 -0.04 0.00 1.34 0.00 0.00 72.50 72.06 1n4x s THR 102 CO 0.60 -0.36 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.87 1n4x s PHE 103 N -1.79 2.63 0.80 3.99 0.40 -1.26 -1.11 117.98 121.64 1n4x s PHE 103 Ca 0.03 -0.22 -0.12 0.00 -0.60 0.00 0.00 56.93 56.02 1n4x s PHE 103 Cb -0.07 -1.28 0.07 0.00 0.51 0.00 0.00 43.02 42.26 1n4x s PHE 103 CO 0.02 0.52 1.12 0.20 0.70 0.00 0.00 175.22 177.78 1n4x s GLY 104 N -2.88 1.61 0.03 4.36 0.00 -0.14 -4.53 107.32 105.77 1n4x s GLY 104 Ca 0.25 -0.40 0.19 0.00 0.00 0.00 0.00 44.72 44.76 1n4x s GLY 104 CO 0.15 0.06 1.59 0.61 0.00 0.00 0.00 173.10 175.51 1n4x n GLY 105 N -2.57 -1.15 0.00 0.20 0.00 -1.25 -4.70 105.19 95.71 1n4x n GLY 105 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1n4x n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n4x n GLY 106 N 0.34 1.82 3.19 -0.02 0.00 -1.26 -5.05 105.19 104.21 1n4x n GLY 106 Ca 0.04 -1.53 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 1n4x n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n4x s THR 107 N -0.97 2.20 -0.36 2.61 2.01 0.11 -4.77 115.64 116.47 1n4x s THR 107 Ca 0.00 -0.93 -0.19 0.00 0.31 0.00 0.00 61.69 60.88 1n4x s THR 107 Cb 0.00 -1.90 0.00 0.00 0.01 0.00 0.00 72.50 70.62 1n4x s THR 107 CO 0.00 0.54 0.58 -0.75 -0.69 0.00 0.00 174.62 174.30 1n4x s LYS 108 N 0.88 3.60 -0.39 4.92 2.20 -0.71 -0.70 119.74 129.54 1n4x s LYS 108 Ca -0.05 -0.09 -0.18 0.00 -0.36 0.00 0.00 55.97 55.28 1n4x s LYS 108 Cb -0.15 -3.83 0.01 0.00 -1.51 0.00 0.00 37.83 32.35 1n4x s LYS 108 CO -0.03 -0.73 0.49 -1.17 -0.36 0.00 0.00 175.35 173.55 1n4x s LEU 109 N 2.58 4.55 -0.07 5.43 2.96 -0.21 -0.04 118.68 133.87 1n4x s LEU 109 Ca 0.22 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.85 1n4x s LEU 109 Cb -0.15 -2.51 0.01 0.00 0.50 0.00 0.00 46.19 44.04 1n4x s LEU 109 CO 0.15 -0.54 -0.17 -0.70 -1.32 0.00 0.00 176.35 173.77 1n4x s GLU 110 N 2.33 2.10 -0.37 1.98 -6.30 -0.96 -2.67 118.70 114.81 1n4x s GLU 110 Ca 0.16 -0.59 -0.22 0.00 -2.50 0.00 0.00 54.97 51.82 1n4x s GLU 110 Cb -0.16 -1.69 0.01 0.00 0.00 0.00 0.00 34.13 32.29 1n4x s GLU 110 CO 0.14 0.12 0.73 0.96 0.02 0.00 0.00 175.26 177.23 1n4x s ILE 111 N 0.42 4.78 0.00 -3.70 -4.36 -1.25 -0.10 121.20 117.00 1n4x s ILE 111 Ca -0.13 0.70 0.00 0.00 -0.26 0.00 0.00 60.65 60.96 1n4x s ILE 111 Cb -0.15 -4.17 0.00 0.00 1.25 0.00 0.00 42.46 39.38 1n4x s ILE 111 CO 0.05 -0.43 0.00 0.00 0.24 0.00 0.00 174.94 174.80